data_1gh2_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 1gh2 _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 ' 2' ' ' VAL . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.496 1.868 0 N-CA-C 111.661 0.245 . . . . 42.1 111.661 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.73 -131.43 12.79 Favored Glycine 0 CA--C 1.532 1.095 0 N-CA-C 118.142 2.017 . . . . 39.67 118.142 178.768 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 48.1 t -90.18 116.75 32.11 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.453 0 N-CA-C 108.181 -1.044 . . . . 30.84 108.181 178.392 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -89.88 123.83 65.21 Favored Pre-proline 0 N--CA 1.478 0.933 0 C-N-CA 124.972 1.309 . . . . 30.53 111.219 -178.481 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -80.09 138.43 12.84 Favored 'Trans proline' 0 CA--C 1.54 0.788 1 C-N-CA 126.626 4.884 . . . . 24.89 109.64 179.465 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 47.6 t -105.64 110.56 31.59 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 1 N-CA-C 99.857 -4.127 . . . . 25.51 99.857 179.356 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -74.29 -12.18 81.95 Favored Glycine 0 CA--C 1.502 -0.733 0 N-CA-C 120.689 3.036 . . . . 27.77 120.689 -174.66 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.7 p -173.39 163.53 4.5 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 107.727 -1.212 . . . . 26.18 107.727 -177.972 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -53.1 -45.02 98.45 Favored Pre-proline 0 N--CA 1.48 1.07 0 N-CA-C 118.266 2.691 . . . . 22.3 118.266 -178.274 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -67.74 -11.63 32.73 Favored 'Trans proline' 0 N--CA 1.482 0.817 0 C-N-CA 114.216 -3.389 . . . . 24.61 117.402 -179.436 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -84.31 -9.33 58.56 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 122.286 -0.259 . . . . 25.97 110.767 179.468 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -71.42 -47.89 53.13 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 117.199 2.296 . . . . 25.33 117.199 -175.492 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -65.56 -42.8 58.88 Favored Pre-proline 0 C--O 1.243 0.751 0 C-N-CA 117.504 -1.678 . . . . 27.16 109.081 179.253 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -49.55 -52.48 8.74 Favored 'Trans proline' 0 C--N 1.367 1.532 0 N-CA-C 107.273 -1.857 . . . . 26.72 107.273 178.614 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -54.05 -47.32 71.75 Favored 'General case' 0 C--O 1.219 -0.547 0 C-N-CA 120.444 -0.502 . . . . 32.25 110.915 178.104 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.06 -34.77 76.89 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 118.621 -1.232 . . . . 24.74 112.243 178.713 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 t -72.06 -43.9 64.16 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 120.81 -0.356 . . . . 26.49 110.581 179.915 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.97 -7.38 29.94 Favored Glycine 0 C--O 1.254 1.376 0 N-CA-C 117.919 1.928 . . . . 23.43 117.919 178.292 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.07 -12.69 59.25 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 107.994 -1.113 . . . . 23.14 107.994 177.327 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 63.46 -128.52 38.76 Favored Glycine 0 C--O 1.223 -0.552 0 N-CA-C 108.826 -1.71 . . . . 25.82 108.826 -178.146 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.5 p -99.72 2.21 44.06 Favored 'General case' 0 C--O 1.244 0.764 0 CA-C-N 117.273 0.536 . . . . 28.2 111.285 179.021 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -65.39 153.31 41.63 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.606 0.762 . . . . 25.68 112.748 178.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 41.4 tp -66.94 136.92 56.09 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 107.941 -1.133 . . . . 24.02 107.941 175.579 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.81 123.31 42.31 Favored 'General case' 0 CA--C 1.554 1.122 0 N-CA-C 107.662 -1.236 . . . . 22.42 107.662 177.608 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.8 t -109.91 116.11 51.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 N-CA-C 106.461 -1.681 . . . . 19.06 106.461 179.763 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 63.2 t -109.47 118.16 56.11 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.163 0 C-N-CA 124.132 0.973 . . . . 18.79 110.652 -177.476 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -93.11 114.82 27.45 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 123.622 0.577 . . . . 23.07 110.249 177.279 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -88.7 122.5 32.19 Favored 'General case' 0 C--O 1.244 0.809 0 N-CA-C 105.982 -1.858 . . . . 21.57 105.982 176.147 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.2 t -135.73 175.3 9.72 Favored 'General case' 0 N--CA 1.418 -2.037 0 CA-C-N 113.79 -1.55 . . . . 24.19 112.104 -174.467 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 19.3 ptt? -159.93 159.59 32.49 Favored 'General case' 0 C--O 1.22 -0.484 0 N-CA-C 107.17 -1.418 . . . . 24.3 107.17 176.347 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.7 mmm-85 -68.57 164.32 21.61 Favored 'General case' 0 CA--C 1.561 1.399 0 C-N-CA 123.202 0.601 . . . . 38.47 112.463 177.629 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 48.44 49.83 25.43 Favored Glycine 0 C--N 1.345 1.037 0 N-CA-C 110.63 -0.988 . . . . 23.79 110.63 179.774 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 6.1 t -132.93 109.19 9.41 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 122.588 -0.36 . . . . 22.39 110.566 -178.752 165.387 -138.912 77.165 102.689 2.045 103.352 81.071 -56.389 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -56.63 -63.49 5.27 Favored Glycine 0 CA--C 1.526 0.724 0 CA-C-N 114.728 -1.123 . . . . 20.99 113.849 -179.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -54.53 -35.19 85.11 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 114.047 -3.502 . . . . 20.2 112.679 -179.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 61.6 m -57.78 -41.57 82.31 Favored 'General case' 0 C--O 1.253 1.242 0 C-N-CA 119.125 -1.03 . . . . 21.61 110.344 179.425 -56.389 81.071 77.165 103.352 2.045 102.689 -138.912 165.387 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.1 tp -69.22 -37.53 78.08 Favored 'General case' 0 C--O 1.209 -1.076 0 CA-C-N 114.577 -1.192 . . . . 22.15 112.008 179.727 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ARG . . . . . 0.468 ' NH2' ' O ' ' A' ' 110' ' ' HOH . 8.1 mtt180 -64.96 -38.71 91.88 Favored 'General case' 0 CA--C 1.495 -1.162 0 O-C-N 123.32 0.388 . . . . 31.83 111.89 -177.023 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.7 tp -84.88 -22.33 7.7 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.284 0 N-CA-C 113.852 1.056 . . . . 21.06 113.852 -176.343 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.03 -49.88 38.32 Favored Pre-proline 0 C--O 1.25 1.099 0 N-CA-C 118.331 2.715 . . . . 20.15 118.331 -176.633 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -61.49 -44.47 22.3 Favored 'Trans proline' 0 C--O 1.236 0.399 0 CA-C-O 121.914 0.714 . . . . 19.61 111.938 179.846 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.42 -42.68 96.52 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 119.237 -0.985 . . . . 23.24 111.21 179.415 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -61.6 -41.82 97.98 Favored 'General case' 0 N--CA 1.434 -1.233 0 O-C-N 121.686 -0.634 . . . . 21.22 109.677 -178.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.9 t -64.48 -36.88 85.63 Favored 'General case' 0 N--CA 1.431 -1.386 0 CA-C-N 115.824 -0.626 . . . . 27.19 110.157 178.69 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.7 m -68.77 -33.83 74.54 Favored 'General case' 0 C--O 1.27 2.173 0 CA-C-N 118.071 0.396 . . . . 22.05 110.91 179.204 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 33.9 mtt -63.05 -39.41 94.64 Favored 'General case' 0 C--O 1.19 -2.072 0 N-CA-C 108.824 -0.806 . . . . 24.02 108.824 179.106 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.0 p -68.73 -34.22 75.24 Favored 'General case' 0 CA--C 1.507 -0.704 0 C-N-CA 118.535 -1.266 . . . . 26.76 110.852 -178.611 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -65.78 -36.34 83.26 Favored 'General case' 0 CA--C 1.508 -0.659 0 N-CA-C 105.825 -1.917 . . . . 27.57 105.825 177.464 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' LYS . . . . . 0.479 ' NZ ' ' OE2' ' A' ' 100' ' ' GLU . 78.6 tttt -79.2 -20.52 48.12 Favored 'General case' 0 CA--C 1.496 -1.11 0 C-N-CA 119.416 -0.914 . . . . 27.72 113.006 -175.978 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -128.45 68.59 77.85 Favored Pre-proline 0 CA--C 1.51 -0.583 0 N-CA-C 113.719 1.007 . . . . 27.69 113.719 -179.111 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -64.75 -1.32 3.96 Favored 'Trans proline' 0 C--O 1.2 -1.395 0 C-N-CA 114.656 -3.096 . . . . 28.71 114.471 179.876 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.4 pm0 -86.09 -7.15 58.8 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-N 121.031 1.741 . . . . 28.68 111.87 177.762 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -115.04 164.86 13.57 Favored 'General case' 0 C--O 1.224 -0.26 0 N-CA-C 106.615 -1.624 . . . . 24.35 106.615 179.691 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.8 m -108.9 135.15 48.64 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.554 0 CA-C-N 118.941 0.791 . . . . 25.7 111.423 177.066 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -113.46 124.75 53.15 Favored 'General case' 0 CA--C 1.491 -1.317 0 C-N-CA 124.759 1.224 . . . . 23.58 111.945 -177.033 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 43.1 mt -126.58 162.47 25.62 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-N 115.26 -0.882 . . . . 20.23 111.241 -176.227 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -137.2 129.55 29.71 Favored 'General case' 0 C--O 1.2 -1.531 0 O-C-N 124.273 0.983 . . . . 30.19 108.428 -178.882 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 86.4 t -126.01 124.88 67.03 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 CA-C-N 115.201 -0.909 . . . . 21.72 109.42 -179.594 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -88.87 127.39 35.63 Favored 'General case' 0 N--CA 1.437 -1.085 0 N-CA-C 103.164 -2.902 . . . . 20.95 103.164 175.544 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 17.4 m -66.38 -13.07 15.53 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.432 0 N-CA-C 117.045 2.239 . . . . 20.58 117.045 -176.463 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -97.86 -23.36 15.89 Favored 'General case' 0 C--O 1.251 1.133 0 O-C-N 123.579 0.549 . . . . 30.6 111.722 176.343 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -85.19 -24.35 27.93 Favored 'General case' 0 C--O 1.247 0.928 0 O-C-N 121.264 -0.898 . . . . 34.82 109.661 176.035 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 79.9 m -129.12 62.36 1.51 Allowed 'General case' 0 C--O 1.248 1.023 0 C-N-CA 124.398 1.079 . . . . 24.02 111.413 -177.613 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -57.1 -46.21 82.78 Favored 'General case' 0 C--O 1.243 0.716 0 N-CA-C 115.986 1.847 . . . . 28.06 115.986 -177.584 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.33 -39.61 97.97 Favored Glycine 0 N--CA 1.431 -1.64 0 C-N-CA 119.228 -1.463 . . . . 21.37 110.431 -179.641 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 32.6 m -65.4 -42.91 92.1 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-N 117.646 0.723 . . . . 26.94 110.936 179.763 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.55 -51.71 68.27 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 120.078 -0.649 . . . . 20.3 109.458 178.219 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.01 -51.29 70.29 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 114.285 1.217 . . . . 23.12 114.285 -178.569 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 65.0 p -70.94 -5.26 29.52 Favored 'General case' 0 C--O 1.217 -0.629 0 C-N-CA 120.527 -0.469 . . . . 27.26 111.788 178.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ASN . . . . . 0.427 ' O ' ' NH2' ' A' ' 87' ' ' ARG . 32.4 m-80 -112.33 10.51 19.95 Favored 'General case' 0 CA--C 1.495 -1.145 0 N-CA-C 104.298 -2.482 . . . . 25.25 104.298 177.961 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 49.1 t30 49.83 50.59 18.12 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 114.666 -1.152 . . . . 30.09 112.5 178.632 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 31.2 mm -79.97 118.17 27.07 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.743 0 N-CA-C 110.019 -0.363 . . . . 23.86 110.019 179.794 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 73.3 p -108.76 -17.25 13.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 121.08 -1.013 . . . . 28.04 112.655 -177.113 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -151.55 169.81 21.18 Favored 'General case' 0 N--CA 1.438 -1.057 0 C-N-CA 118.189 -1.404 . . . . 24.95 108.251 178.409 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 68.3 p -136.63 144.0 45.32 Favored Pre-proline 0 C--N 1.341 0.237 0 N-CA-C 106.858 -1.534 . . . . 19.57 106.858 -178.512 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -82.74 145.31 56.91 Favored 'Cis proline' 0 C--N 1.362 1.289 0 C-N-CA 120.905 -2.54 . . . . 17.91 114.041 0.038 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 40.9 m -125.58 132.24 52.57 Favored 'General case' 0 CA--C 1.565 1.546 0 N-CA-C 108.039 -1.097 . . . . 19.39 108.039 175.445 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -108.23 124.85 50.93 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-N 116.315 -0.402 . . . . 20.89 109.997 178.259 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -106.56 150.08 26.51 Favored 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 106.061 -1.829 . . . . 34.14 106.061 176.538 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -117.83 127.6 54.03 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 123.843 0.714 . . . . 24.39 110.582 178.327 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -122.61 155.42 36.37 Favored 'General case' 0 N--CA 1.433 -1.302 0 CA-C-O 121.989 0.9 . . . . 24.02 110.965 179.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -151.3 123.95 8.49 Favored 'General case' 0 C--O 1.25 1.095 1 N-CA-C 99.844 -4.132 . . . . 37.26 99.844 176.439 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.5 m120 55.81 35.51 25.51 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.075 -0.966 . . . . 34.12 112.606 -179.371 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt 73.42 9.61 5.07 Favored 'General case' 0 C--O 1.259 1.587 0 N-CA-C 116.874 2.176 . . . . 36.02 116.874 177.987 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 99.5 t -108.08 135.68 46.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 N-CA-C 107.49 -1.3 . . . . 24.89 107.49 179.364 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ARG . . . . . 0.427 ' NH2' ' O ' ' A' ' 71' ' ' ASN . 6.3 ttm180 -78.29 126.7 31.16 Favored 'General case' 0 CA--C 1.491 -1.291 0 N-CA-C 103.762 -2.681 . . . . 38.68 103.762 179.113 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 6.9 pt -120.09 -13.4 9.07 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 O-C-N 123.985 0.803 . . . . 26.02 112.473 -179.46 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' ASP . . . . . 0.506 ' OD1' ' NZ ' ' A' ' 102' ' ' LYS . 5.3 t0 -158.23 170.57 21.96 Favored 'General case' 0 C--O 1.252 1.203 0 CA-C-N 119.448 1.022 . . . . 24.65 110.759 178.427 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.17 150.75 28.44 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-O 121.757 0.789 . . . . 33.98 110.51 179.873 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -154.74 126.74 7.68 Favored 'General case' 0 C--O 1.242 0.71 0 N-CA-C 105.97 -1.863 . . . . 21.01 105.97 -179.769 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -103.63 146.5 28.48 Favored 'General case' 0 N--CA 1.442 -0.875 0 C-N-CA 124.253 1.021 . . . . 21.74 111.54 179.215 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 108.15 170.89 21.5 Favored Glycine 0 CA--C 1.485 -1.818 0 N-CA-C 120.97 3.148 . . . . 22.0 120.97 176.132 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -104.21 16.67 25.7 Favored 'General case' 0 C--O 1.261 1.689 0 CA-C-N 112.947 -1.627 . . . . 22.66 115.27 -176.675 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -83.88 106.85 15.88 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 103.728 -2.693 . . . . 25.9 103.728 178.528 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.85 -30.83 68.41 Favored 'General case' 0 CA--C 1.493 -1.248 0 CA-C-N 114.829 -1.078 . . . . 20.24 113.222 -176.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 65.2 t -65.18 -53.76 36.93 Favored 'Isoleucine or valine' 0 C--O 1.242 0.698 0 O-C-N 123.431 0.457 . . . . 22.67 109.837 -179.96 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -54.86 -41.05 74.77 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 118.866 -1.635 . . . . 21.24 111.646 178.147 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 45.4 tp -61.66 -52.6 63.65 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 113.026 0.75 . . . . 22.55 113.026 -178.725 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' GLU . . . . . 0.479 ' OE2' ' NZ ' ' A' ' 50' ' ' LYS . 71.7 tt0 -64.12 -30.92 71.96 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 119.856 -0.738 . . . . 24.34 112.416 -179.93 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -41.32 97.88 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 109.091 -0.707 . . . . 36.99 109.091 178.987 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' LYS . . . . . 0.506 ' NZ ' ' OD1' ' A' ' 89' ' ' ASP . 25.8 mtpp -74.37 -27.89 60.87 Favored 'General case' 0 N--CA 1.482 1.15 0 O-C-N 121.306 -0.871 . . . . 31.48 111.535 178.282 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 91.4 mt -69.46 -43.14 81.0 Favored 'Isoleucine or valine' 0 C--O 1.253 1.276 0 N-CA-C 106.388 -1.708 . . . . 23.16 106.388 178.441 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -61.47 -40.69 95.43 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.166 -0.924 . . . . 33.91 109.337 179.09 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -64.08 -22.96 67.15 Favored 'General case' 0 C--O 1.217 -0.627 0 C-N-CA 119.293 -0.963 . . . . 34.21 112.018 -176.702 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HIS . . . . . 0.492 ' CE1' ' OD1' ' A' ' 89' ' ' ASP . 36.9 m80 -90.59 -29.68 17.66 Favored 'General case' 0 CA--C 1.505 -0.75 0 N-CA-C 112.779 0.659 . . . . 32.39 112.779 178.01 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 108' ' ' GLU . 86.3 mt -65.84 -8.46 21.96 Favored 'General case' 0 CA--C 1.551 1.019 0 N-CA-C 106.775 -1.565 . . . . 41.96 106.775 176.454 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 107' ' ' LEU . 15.5 pt-20 . . . . . 0 C--O 1.259 1.587 0 C-N-CA 125.961 1.704 . . . . 52.88 112.989 177.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . 0.468 ' O ' ' NH2' ' A' ' 39' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.496 1.868 0 N-CA-C 111.661 0.245 . . . . 42.1 111.661 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.73 -131.43 12.79 Favored Glycine 0 CA--C 1.532 1.095 0 N-CA-C 118.142 2.017 . . . . 39.67 118.142 178.768 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 48.1 t -90.18 116.75 32.11 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.453 0 N-CA-C 108.181 -1.044 . . . . 30.84 108.181 178.392 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LYS . . . . . 0.436 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 2.5 tmtt? -89.88 123.83 65.21 Favored Pre-proline 0 N--CA 1.478 0.933 0 C-N-CA 124.972 1.309 . . . . 30.53 111.219 -178.481 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 5' ' ' LYS . 17.1 Cg_exo -80.09 138.43 12.84 Favored 'Trans proline' 0 CA--C 1.54 0.788 1 C-N-CA 126.626 4.884 . . . . 24.89 109.64 179.465 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 47.6 t -105.64 110.56 31.59 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 1 N-CA-C 99.857 -4.127 . . . . 25.51 99.857 179.356 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -74.29 -12.18 81.95 Favored Glycine 0 CA--C 1.502 -0.733 0 N-CA-C 120.689 3.036 . . . . 27.77 120.689 -174.66 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.7 p -173.39 163.53 4.5 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 107.727 -1.212 . . . . 26.18 107.727 -177.972 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -53.1 -45.02 98.45 Favored Pre-proline 0 N--CA 1.48 1.07 0 N-CA-C 118.266 2.691 . . . . 22.3 118.266 -178.274 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -67.74 -11.63 32.73 Favored 'Trans proline' 0 N--CA 1.482 0.817 0 C-N-CA 114.216 -3.389 . . . . 24.61 117.402 -179.436 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -84.31 -9.33 58.56 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 122.286 -0.259 . . . . 25.97 110.767 179.468 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -71.42 -47.89 53.13 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 117.199 2.296 . . . . 25.33 117.199 -175.492 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLN . . . . . 0.415 ' HB2' ' HD3' ' A' ' 15' ' ' PRO . 80.0 mm-40 -65.56 -42.8 58.88 Favored Pre-proline 0 C--O 1.243 0.751 0 C-N-CA 117.504 -1.678 . . . . 27.16 109.081 179.253 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' PRO . . . . . 0.474 ' HG2' ' O ' ' A' ' 122' ' ' HOH . 0.2 OUTLIER -49.55 -52.48 8.74 Favored 'Trans proline' 0 C--N 1.367 1.532 0 N-CA-C 107.273 -1.857 . . . . 26.72 107.273 178.614 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -54.05 -47.32 71.75 Favored 'General case' 0 C--O 1.219 -0.547 0 C-N-CA 120.444 -0.502 . . . . 32.25 110.915 178.104 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.06 -34.77 76.89 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 118.621 -1.232 . . . . 24.74 112.243 178.713 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 t -72.06 -43.9 64.16 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 120.81 -0.356 . . . . 26.49 110.581 179.915 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.97 -7.38 29.94 Favored Glycine 0 C--O 1.254 1.376 0 N-CA-C 117.919 1.928 . . . . 23.43 117.919 178.292 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.07 -12.69 59.25 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 107.994 -1.113 . . . . 23.14 107.994 177.327 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 63.46 -128.52 38.76 Favored Glycine 0 C--O 1.223 -0.552 0 N-CA-C 108.826 -1.71 . . . . 25.82 108.826 -178.146 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.5 p -99.72 2.21 44.06 Favored 'General case' 0 C--O 1.244 0.764 0 CA-C-N 117.273 0.536 . . . . 28.2 111.285 179.021 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -65.39 153.31 41.63 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.606 0.762 . . . . 25.68 112.748 178.885 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 41.4 tp -66.94 136.92 56.09 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 107.941 -1.133 . . . . 24.02 107.941 175.579 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.81 123.31 42.31 Favored 'General case' 0 CA--C 1.554 1.122 0 N-CA-C 107.662 -1.236 . . . . 22.42 107.662 177.608 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.8 t -109.91 116.11 51.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 N-CA-C 106.461 -1.681 . . . . 19.06 106.461 179.763 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 63.2 t -109.47 118.16 56.11 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.163 0 C-N-CA 124.132 0.973 . . . . 18.79 110.652 -177.476 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LYS . . . . . 0.469 ' HE3' ' HG3' ' A' ' 58' ' ' GLU . 34.5 ttpt -93.11 114.82 27.45 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 123.622 0.577 . . . . 23.07 110.249 177.279 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -88.7 122.5 32.19 Favored 'General case' 0 C--O 1.244 0.809 0 N-CA-C 105.982 -1.858 . . . . 21.57 105.982 176.147 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.2 t -135.73 175.3 9.72 Favored 'General case' 0 N--CA 1.418 -2.037 0 CA-C-N 113.79 -1.55 . . . . 24.19 112.104 -174.467 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 19.3 ptt? -159.93 159.59 32.49 Favored 'General case' 0 C--O 1.22 -0.484 0 N-CA-C 107.17 -1.418 . . . . 24.3 107.17 176.347 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.7 mmm-85 -68.57 164.32 21.61 Favored 'General case' 0 CA--C 1.561 1.399 0 C-N-CA 123.202 0.601 . . . . 38.47 112.463 177.629 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 48.44 49.83 25.43 Favored Glycine 0 C--N 1.345 1.037 0 N-CA-C 110.63 -0.988 . . . . 23.79 110.63 179.774 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 6.1 t -132.93 109.19 9.41 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 122.588 -0.36 . . . . 22.39 110.566 -178.752 165.387 -138.912 77.165 102.689 2.045 103.352 81.071 -56.389 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -56.63 -63.49 5.27 Favored Glycine 0 CA--C 1.526 0.724 0 CA-C-N 114.728 -1.123 . . . . 20.99 113.849 -179.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -54.53 -35.19 85.11 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 114.047 -3.502 . . . . 20.2 112.679 -179.912 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 61.6 m -57.78 -41.57 82.31 Favored 'General case' 0 C--O 1.253 1.242 0 C-N-CA 119.125 -1.03 . . . . 21.61 110.344 179.425 -56.389 81.071 77.165 103.352 2.045 102.689 -138.912 165.387 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.1 tp -69.22 -37.53 78.08 Favored 'General case' 0 C--O 1.209 -1.076 0 CA-C-N 114.577 -1.192 . . . . 22.15 112.008 179.727 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -64.96 -38.71 91.88 Favored 'General case' 0 CA--C 1.495 -1.162 0 O-C-N 123.32 0.388 . . . . 31.83 111.89 -177.023 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.7 tp -84.88 -22.33 7.7 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.284 0 N-CA-C 113.852 1.056 . . . . 21.06 113.852 -176.343 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ALA . . . . . 0.505 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . . . -46.03 -49.88 38.32 Favored Pre-proline 0 C--O 1.25 1.099 0 N-CA-C 118.331 2.715 . . . . 20.15 118.331 -176.633 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' PRO . . . . . 0.505 ' HD3' ' HB3' ' A' ' 41' ' ' ALA . 76.6 Cg_exo -61.49 -44.47 22.3 Favored 'Trans proline' 0 C--O 1.236 0.399 0 CA-C-O 121.914 0.714 . . . . 19.61 111.938 179.846 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.42 -42.68 96.52 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 119.237 -0.985 . . . . 23.24 111.21 179.415 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -61.6 -41.82 97.98 Favored 'General case' 0 N--CA 1.434 -1.233 0 O-C-N 121.686 -0.634 . . . . 21.22 109.677 -178.558 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.9 t -64.48 -36.88 85.63 Favored 'General case' 0 N--CA 1.431 -1.386 0 CA-C-N 115.824 -0.626 . . . . 27.19 110.157 178.69 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.7 m -68.77 -33.83 74.54 Favored 'General case' 0 C--O 1.27 2.173 0 CA-C-N 118.071 0.396 . . . . 22.05 110.91 179.204 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 33.9 mtt -63.05 -39.41 94.64 Favored 'General case' 0 C--O 1.19 -2.072 0 N-CA-C 108.824 -0.806 . . . . 24.02 108.824 179.106 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.0 p -68.73 -34.22 75.24 Favored 'General case' 0 CA--C 1.507 -0.704 0 C-N-CA 118.535 -1.266 . . . . 26.76 110.852 -178.611 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -65.78 -36.34 83.26 Favored 'General case' 0 CA--C 1.508 -0.659 0 N-CA-C 105.825 -1.917 . . . . 27.57 105.825 177.464 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -79.2 -20.52 48.12 Favored 'General case' 0 CA--C 1.496 -1.11 0 C-N-CA 119.416 -0.914 . . . . 27.72 113.006 -175.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -128.45 68.59 77.85 Favored Pre-proline 0 CA--C 1.51 -0.583 0 N-CA-C 113.719 1.007 . . . . 27.69 113.719 -179.111 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -64.75 -1.32 3.96 Favored 'Trans proline' 0 C--O 1.2 -1.395 0 C-N-CA 114.656 -3.096 . . . . 28.71 114.471 179.876 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.4 pm0 -86.09 -7.15 58.8 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-N 121.031 1.741 . . . . 28.68 111.87 177.762 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -115.04 164.86 13.57 Favored 'General case' 0 C--O 1.224 -0.26 0 N-CA-C 106.615 -1.624 . . . . 24.35 106.615 179.691 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.8 m -108.9 135.15 48.64 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.554 0 CA-C-N 118.941 0.791 . . . . 25.7 111.423 177.066 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -113.46 124.75 53.15 Favored 'General case' 0 CA--C 1.491 -1.317 0 C-N-CA 124.759 1.224 . . . . 23.58 111.945 -177.033 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 43.1 mt -126.58 162.47 25.62 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-N 115.26 -0.882 . . . . 20.23 111.241 -176.227 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' GLU . . . . . 0.469 ' HG3' ' HE3' ' A' ' 28' ' ' LYS . 44.6 tt0 -137.2 129.55 29.71 Favored 'General case' 0 C--O 1.2 -1.531 0 O-C-N 124.273 0.983 . . . . 30.19 108.428 -178.882 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 86.4 t -126.01 124.88 67.03 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 CA-C-N 115.201 -0.909 . . . . 21.72 109.42 -179.594 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -88.87 127.39 35.63 Favored 'General case' 0 N--CA 1.437 -1.085 0 N-CA-C 103.164 -2.902 . . . . 20.95 103.164 175.544 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 17.4 m -66.38 -13.07 15.53 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.432 0 N-CA-C 117.045 2.239 . . . . 20.58 117.045 -176.463 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -97.86 -23.36 15.89 Favored 'General case' 0 C--O 1.251 1.133 0 O-C-N 123.579 0.549 . . . . 30.6 111.722 176.343 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -85.19 -24.35 27.93 Favored 'General case' 0 C--O 1.247 0.928 0 O-C-N 121.264 -0.898 . . . . 34.82 109.661 176.035 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 79.9 m -129.12 62.36 1.51 Allowed 'General case' 0 C--O 1.248 1.023 0 C-N-CA 124.398 1.079 . . . . 24.02 111.413 -177.613 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -57.1 -46.21 82.78 Favored 'General case' 0 C--O 1.243 0.716 0 N-CA-C 115.986 1.847 . . . . 28.06 115.986 -177.584 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.33 -39.61 97.97 Favored Glycine 0 N--CA 1.431 -1.64 0 C-N-CA 119.228 -1.463 . . . . 21.37 110.431 -179.641 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 32.6 m -65.4 -42.91 92.1 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-N 117.646 0.723 . . . . 26.94 110.936 179.763 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.55 -51.71 68.27 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 120.078 -0.649 . . . . 20.3 109.458 178.219 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.01 -51.29 70.29 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 114.285 1.217 . . . . 23.12 114.285 -178.569 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 65.0 p -70.94 -5.26 29.52 Favored 'General case' 0 C--O 1.217 -0.629 0 C-N-CA 120.527 -0.469 . . . . 27.26 111.788 178.821 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ASN . . . . . 0.427 ' O ' ' NH2' ' A' ' 87' ' ' ARG . 32.4 m-80 -112.33 10.51 19.95 Favored 'General case' 0 CA--C 1.495 -1.145 0 N-CA-C 104.298 -2.482 . . . . 25.25 104.298 177.961 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 49.1 t30 49.83 50.59 18.12 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 114.666 -1.152 . . . . 30.09 112.5 178.632 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 31.2 mm -79.97 118.17 27.07 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.743 0 N-CA-C 110.019 -0.363 . . . . 23.86 110.019 179.794 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 73.3 p -108.76 -17.25 13.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 121.08 -1.013 . . . . 28.04 112.655 -177.113 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -151.55 169.81 21.18 Favored 'General case' 0 N--CA 1.438 -1.057 0 C-N-CA 118.189 -1.404 . . . . 24.95 108.251 178.409 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 68.3 p -136.63 144.0 45.32 Favored Pre-proline 0 C--N 1.341 0.237 0 N-CA-C 106.858 -1.534 . . . . 19.57 106.858 -178.512 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -82.74 145.31 56.91 Favored 'Cis proline' 0 C--N 1.362 1.289 0 C-N-CA 120.905 -2.54 . . . . 17.91 114.041 0.038 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 40.9 m -125.58 132.24 52.57 Favored 'General case' 0 CA--C 1.565 1.546 0 N-CA-C 108.039 -1.097 . . . . 19.39 108.039 175.445 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -108.23 124.85 50.93 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-N 116.315 -0.402 . . . . 20.89 109.997 178.259 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -106.56 150.08 26.51 Favored 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 106.061 -1.829 . . . . 34.14 106.061 176.538 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -117.83 127.6 54.03 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 123.843 0.714 . . . . 24.39 110.582 178.327 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -122.61 155.42 36.37 Favored 'General case' 0 N--CA 1.433 -1.302 0 CA-C-O 121.989 0.9 . . . . 24.02 110.965 179.593 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -151.3 123.95 8.49 Favored 'General case' 0 C--O 1.25 1.095 1 N-CA-C 99.844 -4.132 . . . . 37.26 99.844 176.439 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 55.81 35.51 25.51 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.075 -0.966 . . . . 34.12 112.606 -179.371 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt 73.42 9.61 5.07 Favored 'General case' 0 C--O 1.259 1.587 0 N-CA-C 116.874 2.176 . . . . 36.02 116.874 177.987 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 99.5 t -108.08 135.68 46.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 N-CA-C 107.49 -1.3 . . . . 24.89 107.49 179.364 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ARG . . . . . 0.427 ' NH2' ' O ' ' A' ' 71' ' ' ASN . 6.3 ttm180 -78.29 126.7 31.16 Favored 'General case' 0 CA--C 1.491 -1.291 0 N-CA-C 103.762 -2.681 . . . . 38.68 103.762 179.113 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 6.9 pt -120.09 -13.4 9.07 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 O-C-N 123.985 0.803 . . . . 26.02 112.473 -179.46 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' ASP . . . . . 0.406 ' OD1' ' NZ ' ' A' ' 102' ' ' LYS . 5.3 t0 -158.23 170.57 21.96 Favored 'General case' 0 C--O 1.252 1.203 0 CA-C-N 119.448 1.022 . . . . 24.65 110.759 178.427 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.17 150.75 28.44 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-O 121.757 0.789 . . . . 33.98 110.51 179.873 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -154.74 126.74 7.68 Favored 'General case' 0 C--O 1.242 0.71 0 N-CA-C 105.97 -1.863 . . . . 21.01 105.97 -179.769 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -103.63 146.5 28.48 Favored 'General case' 0 N--CA 1.442 -0.875 0 C-N-CA 124.253 1.021 . . . . 21.74 111.54 179.215 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' GLY . . . . . 0.484 ' HA3' ' O ' ' A' ' 111' ' ' HOH . . . 108.15 170.89 21.5 Favored Glycine 0 CA--C 1.485 -1.818 0 N-CA-C 120.97 3.148 . . . . 22.0 120.97 176.132 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -104.21 16.67 25.7 Favored 'General case' 0 C--O 1.261 1.689 0 CA-C-N 112.947 -1.627 . . . . 22.66 115.27 -176.675 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -83.88 106.85 15.88 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 103.728 -2.693 . . . . 25.9 103.728 178.528 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.85 -30.83 68.41 Favored 'General case' 0 CA--C 1.493 -1.248 0 CA-C-N 114.829 -1.078 . . . . 20.24 113.222 -176.743 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 65.2 t -65.18 -53.76 36.93 Favored 'Isoleucine or valine' 0 C--O 1.242 0.698 0 O-C-N 123.431 0.457 . . . . 22.67 109.837 -179.96 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -54.86 -41.05 74.77 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 118.866 -1.635 . . . . 21.24 111.646 178.147 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 45.4 tp -61.66 -52.6 63.65 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 113.026 0.75 . . . . 22.55 113.026 -178.725 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 71.7 tt0 -64.12 -30.92 71.96 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 119.856 -0.738 . . . . 24.34 112.416 -179.93 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -41.32 97.88 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 109.091 -0.707 . . . . 36.99 109.091 178.987 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 102' ' ' LYS . . . . . 0.575 ' HA ' ' HG2' ' A' ' 105' ' ' GLN . 25.8 mtpp -74.37 -27.89 60.87 Favored 'General case' 0 N--CA 1.482 1.15 0 O-C-N 121.306 -0.871 . . . . 31.48 111.535 178.282 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 91.4 mt -69.46 -43.14 81.0 Favored 'Isoleucine or valine' 0 C--O 1.253 1.276 0 N-CA-C 106.388 -1.708 . . . . 23.16 106.388 178.441 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -61.47 -40.69 95.43 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.166 -0.924 . . . . 33.91 109.337 179.09 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' GLN . . . . . 0.575 ' HG2' ' HA ' ' A' ' 102' ' ' LYS . 15.6 pt20 -64.08 -22.96 67.15 Favored 'General case' 0 C--O 1.217 -0.627 0 C-N-CA 119.293 -0.963 . . . . 34.21 112.018 -176.702 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HIS . . . . . 0.46 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 67.2 m-70 -90.59 -29.68 17.66 Favored 'General case' 0 CA--C 1.505 -0.75 0 N-CA-C 112.779 0.659 . . . . 32.39 112.779 178.01 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 107' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 108' ' ' GLU . 86.3 mt -65.84 -8.46 21.96 Favored 'General case' 0 CA--C 1.551 1.019 0 N-CA-C 106.775 -1.565 . . . . 41.96 106.775 176.454 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 108' ' ' GLU . . . . . 0.577 ' OXT' ' HG3' ' A' ' 108' ' ' GLU . 15.5 pt-20 . . . . . 0 C--O 1.259 1.587 0 C-N-CA 125.961 1.704 . . . . 52.88 112.989 177.19 . . . . . . . . 1 1 . 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 . . . . . 0.484 ' O ' ' HA3' ' A' ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . 0.474 ' O ' ' HG2' ' A' ' 15' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.496 1.868 0 N-CA-C 111.661 0.245 . . . . 42.1 111.661 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.73 -131.43 12.79 Favored Glycine 0 CA--C 1.532 1.095 0 N-CA-C 118.142 2.017 . . . . 39.67 118.142 178.768 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 48.1 t -90.18 116.75 32.11 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.453 0 N-CA-C 108.181 -1.044 . . . . 30.84 108.181 178.392 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.436 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 2.5 tmtt? -89.88 123.83 65.21 Favored Pre-proline 0 N--CA 1.478 0.933 0 C-N-CA 124.972 1.309 . . . . 30.53 111.219 -178.481 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 5' ' ' LYS . 17.1 Cg_exo -80.09 138.43 12.84 Favored 'Trans proline' 0 CA--C 1.54 0.788 1 C-N-CA 126.626 4.884 . . . . 24.89 109.64 179.465 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 47.6 t -105.64 110.56 31.59 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 1 N-CA-C 99.857 -4.127 . . . . 25.51 99.857 179.356 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -74.29 -12.18 81.95 Favored Glycine 0 CA--C 1.502 -0.733 0 N-CA-C 120.689 3.036 . . . . 27.77 120.689 -174.66 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.7 p -173.39 163.53 4.5 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 107.727 -1.212 . . . . 26.18 107.727 -177.972 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -53.1 -45.02 98.45 Favored Pre-proline 0 N--CA 1.48 1.07 0 N-CA-C 118.266 2.691 . . . . 22.3 118.266 -178.274 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -67.74 -11.63 32.73 Favored 'Trans proline' 0 N--CA 1.482 0.817 0 C-N-CA 114.216 -3.389 . . . . 24.61 117.402 -179.436 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -84.31 -9.33 58.56 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 122.286 -0.259 . . . . 25.97 110.767 179.468 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -71.42 -47.89 53.13 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 117.199 2.296 . . . . 25.33 117.199 -175.492 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.415 ' HB2' ' HD3' ' A' ' 15' ' ' PRO . 80.0 mm-40 -65.56 -42.8 58.88 Favored Pre-proline 0 C--O 1.243 0.751 0 C-N-CA 117.504 -1.678 . . . . 27.16 109.081 179.253 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.474 ' HG2' ' O ' ' A' ' 122' ' ' HOH . 0.2 OUTLIER -49.55 -52.48 8.74 Favored 'Trans proline' 0 C--N 1.367 1.532 0 N-CA-C 107.273 -1.857 . . . . 26.72 107.273 178.614 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -54.05 -47.32 71.75 Favored 'General case' 0 C--O 1.219 -0.547 0 C-N-CA 120.444 -0.502 . . . . 32.25 110.915 178.104 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.06 -34.77 76.89 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 118.621 -1.232 . . . . 24.74 112.243 178.713 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 t -72.06 -43.9 64.16 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 120.81 -0.356 . . . . 26.49 110.581 179.915 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.97 -7.38 29.94 Favored Glycine 0 C--O 1.254 1.376 0 N-CA-C 117.919 1.928 . . . . 23.43 117.919 178.292 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.07 -12.69 59.25 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 107.994 -1.113 . . . . 23.14 107.994 177.327 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 63.46 -128.52 38.76 Favored Glycine 0 C--O 1.223 -0.552 0 N-CA-C 108.826 -1.71 . . . . 25.82 108.826 -178.146 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' SER . . . . . 0.534 ' HA ' ' ND2' ' A' ' 84' ' ' ASN . 23.5 p -99.72 2.21 44.06 Favored 'General case' 0 C--O 1.244 0.764 0 CA-C-N 117.273 0.536 . . . . 28.2 111.285 179.021 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -65.39 153.31 41.63 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.606 0.762 . . . . 25.68 112.748 178.885 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 41.4 tp -66.94 136.92 56.09 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 107.941 -1.133 . . . . 24.02 107.941 175.579 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.81 123.31 42.31 Favored 'General case' 0 CA--C 1.554 1.122 0 N-CA-C 107.662 -1.236 . . . . 22.42 107.662 177.608 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.8 t -109.91 116.11 51.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 N-CA-C 106.461 -1.681 . . . . 19.06 106.461 179.763 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 63.2 t -109.47 118.16 56.11 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.163 0 C-N-CA 124.132 0.973 . . . . 18.79 110.652 -177.476 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.469 ' HE3' ' HG3' ' A' ' 58' ' ' GLU . 34.5 ttpt -93.11 114.82 27.45 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 123.622 0.577 . . . . 23.07 110.249 177.279 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -88.7 122.5 32.19 Favored 'General case' 0 C--O 1.244 0.809 0 N-CA-C 105.982 -1.858 . . . . 21.57 105.982 176.147 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.2 t -135.73 175.3 9.72 Favored 'General case' 0 N--CA 1.418 -2.037 0 CA-C-N 113.79 -1.55 . . . . 24.19 112.104 -174.467 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 19.3 ptt? -159.93 159.59 32.49 Favored 'General case' 0 C--O 1.22 -0.484 0 N-CA-C 107.17 -1.418 . . . . 24.3 107.17 176.347 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.7 mmm-85 -68.57 164.32 21.61 Favored 'General case' 0 CA--C 1.561 1.399 0 C-N-CA 123.202 0.601 . . . . 38.47 112.463 177.629 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 48.44 49.83 25.43 Favored Glycine 0 C--N 1.345 1.037 0 N-CA-C 110.63 -0.988 . . . . 23.79 110.63 179.774 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 6.1 t -132.93 109.19 9.41 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 122.588 -0.36 . . . . 22.39 110.566 -178.752 165.387 -138.912 77.165 102.689 2.045 103.352 81.071 -56.389 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -56.63 -63.49 5.27 Favored Glycine 0 CA--C 1.526 0.724 0 CA-C-N 114.728 -1.123 . . . . 20.99 113.849 -179.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -54.53 -35.19 85.11 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 114.047 -3.502 . . . . 20.2 112.679 -179.912 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 61.6 m -57.78 -41.57 82.31 Favored 'General case' 0 C--O 1.253 1.242 0 C-N-CA 119.125 -1.03 . . . . 21.61 110.344 179.425 -56.389 81.071 77.165 103.352 2.045 102.689 -138.912 165.387 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.1 tp -69.22 -37.53 78.08 Favored 'General case' 0 C--O 1.209 -1.076 0 CA-C-N 114.577 -1.192 . . . . 22.15 112.008 179.727 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -64.96 -38.71 91.88 Favored 'General case' 0 CA--C 1.495 -1.162 0 O-C-N 123.32 0.388 . . . . 31.83 111.89 -177.023 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.7 tp -84.88 -22.33 7.7 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.284 0 N-CA-C 113.852 1.056 . . . . 21.06 113.852 -176.343 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.505 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . . . -46.03 -49.88 38.32 Favored Pre-proline 0 C--O 1.25 1.099 0 N-CA-C 118.331 2.715 . . . . 20.15 118.331 -176.633 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.505 ' HD3' ' HB3' ' A' ' 41' ' ' ALA . 76.6 Cg_exo -61.49 -44.47 22.3 Favored 'Trans proline' 0 C--O 1.236 0.399 0 CA-C-O 121.914 0.714 . . . . 19.61 111.938 179.846 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.42 -42.68 96.52 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 119.237 -0.985 . . . . 23.24 111.21 179.415 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -61.6 -41.82 97.98 Favored 'General case' 0 N--CA 1.434 -1.233 0 O-C-N 121.686 -0.634 . . . . 21.22 109.677 -178.558 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.9 t -64.48 -36.88 85.63 Favored 'General case' 0 N--CA 1.431 -1.386 0 CA-C-N 115.824 -0.626 . . . . 27.19 110.157 178.69 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.7 m -68.77 -33.83 74.54 Favored 'General case' 0 C--O 1.27 2.173 0 CA-C-N 118.071 0.396 . . . . 22.05 110.91 179.204 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 33.9 mtt -63.05 -39.41 94.64 Favored 'General case' 0 C--O 1.19 -2.072 0 N-CA-C 108.824 -0.806 . . . . 24.02 108.824 179.106 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.0 p -68.73 -34.22 75.24 Favored 'General case' 0 CA--C 1.507 -0.704 0 C-N-CA 118.535 -1.266 . . . . 26.76 110.852 -178.611 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -65.78 -36.34 83.26 Favored 'General case' 0 CA--C 1.508 -0.659 0 N-CA-C 105.825 -1.917 . . . . 27.57 105.825 177.464 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -79.2 -20.52 48.12 Favored 'General case' 0 CA--C 1.496 -1.11 0 C-N-CA 119.416 -0.914 . . . . 27.72 113.006 -175.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -128.45 68.59 77.85 Favored Pre-proline 0 CA--C 1.51 -0.583 0 N-CA-C 113.719 1.007 . . . . 27.69 113.719 -179.111 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -64.75 -1.32 3.96 Favored 'Trans proline' 0 C--O 1.2 -1.395 0 C-N-CA 114.656 -3.096 . . . . 28.71 114.471 179.876 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.4 pm0 -86.09 -7.15 58.8 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-N 121.031 1.741 . . . . 28.68 111.87 177.762 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -115.04 164.86 13.57 Favored 'General case' 0 C--O 1.224 -0.26 0 N-CA-C 106.615 -1.624 . . . . 24.35 106.615 179.691 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.8 m -108.9 135.15 48.64 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.554 0 CA-C-N 118.941 0.791 . . . . 25.7 111.423 177.066 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -113.46 124.75 53.15 Favored 'General case' 0 CA--C 1.491 -1.317 0 C-N-CA 124.759 1.224 . . . . 23.58 111.945 -177.033 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 43.1 mt -126.58 162.47 25.62 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-N 115.26 -0.882 . . . . 20.23 111.241 -176.227 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.469 ' HG3' ' HE3' ' A' ' 28' ' ' LYS . 44.6 tt0 -137.2 129.55 29.71 Favored 'General case' 0 C--O 1.2 -1.531 0 O-C-N 124.273 0.983 . . . . 30.19 108.428 -178.882 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 86.4 t -126.01 124.88 67.03 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 CA-C-N 115.201 -0.909 . . . . 21.72 109.42 -179.594 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -88.87 127.39 35.63 Favored 'General case' 0 N--CA 1.437 -1.085 0 N-CA-C 103.164 -2.902 . . . . 20.95 103.164 175.544 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 17.4 m -66.38 -13.07 15.53 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.432 0 N-CA-C 117.045 2.239 . . . . 20.58 117.045 -176.463 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -97.86 -23.36 15.89 Favored 'General case' 0 C--O 1.251 1.133 0 O-C-N 123.579 0.549 . . . . 30.6 111.722 176.343 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -85.19 -24.35 27.93 Favored 'General case' 0 C--O 1.247 0.928 0 O-C-N 121.264 -0.898 . . . . 34.82 109.661 176.035 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 79.9 m -129.12 62.36 1.51 Allowed 'General case' 0 C--O 1.248 1.023 0 C-N-CA 124.398 1.079 . . . . 24.02 111.413 -177.613 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -57.1 -46.21 82.78 Favored 'General case' 0 C--O 1.243 0.716 0 N-CA-C 115.986 1.847 . . . . 28.06 115.986 -177.584 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.33 -39.61 97.97 Favored Glycine 0 N--CA 1.431 -1.64 0 C-N-CA 119.228 -1.463 . . . . 21.37 110.431 -179.641 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 32.6 m -65.4 -42.91 92.1 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-N 117.646 0.723 . . . . 26.94 110.936 179.763 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.55 -51.71 68.27 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 120.078 -0.649 . . . . 20.3 109.458 178.219 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.01 -51.29 70.29 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 114.285 1.217 . . . . 23.12 114.285 -178.569 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 65.0 p -70.94 -5.26 29.52 Favored 'General case' 0 C--O 1.217 -0.629 0 C-N-CA 120.527 -0.469 . . . . 27.26 111.788 178.821 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.427 ' O ' ' NH2' ' A' ' 87' ' ' ARG . 32.4 m-80 -112.33 10.51 19.95 Favored 'General case' 0 CA--C 1.495 -1.145 0 N-CA-C 104.298 -2.482 . . . . 25.25 104.298 177.961 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 49.1 t30 49.83 50.59 18.12 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 114.666 -1.152 . . . . 30.09 112.5 178.632 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 31.2 mm -79.97 118.17 27.07 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.743 0 N-CA-C 110.019 -0.363 . . . . 23.86 110.019 179.794 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 73.3 p -108.76 -17.25 13.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 121.08 -1.013 . . . . 28.04 112.655 -177.113 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -151.55 169.81 21.18 Favored 'General case' 0 N--CA 1.438 -1.057 0 C-N-CA 118.189 -1.404 . . . . 24.95 108.251 178.409 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 68.3 p -136.63 144.0 45.32 Favored Pre-proline 0 C--N 1.341 0.237 0 N-CA-C 106.858 -1.534 . . . . 19.57 106.858 -178.512 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -82.74 145.31 56.91 Favored 'Cis proline' 0 C--N 1.362 1.289 0 C-N-CA 120.905 -2.54 . . . . 17.91 114.041 0.038 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 40.9 m -125.58 132.24 52.57 Favored 'General case' 0 CA--C 1.565 1.546 0 N-CA-C 108.039 -1.097 . . . . 19.39 108.039 175.445 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -108.23 124.85 50.93 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-N 116.315 -0.402 . . . . 20.89 109.997 178.259 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.664 HE22 ' CZ ' ' A' ' 87' ' ' ARG . 11.4 mm100 -106.56 150.08 26.51 Favored 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 106.061 -1.829 . . . . 34.14 106.061 176.538 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -117.83 127.6 54.03 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 123.843 0.714 . . . . 24.39 110.582 178.327 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -122.61 155.42 36.37 Favored 'General case' 0 N--CA 1.433 -1.302 0 CA-C-O 121.989 0.9 . . . . 24.02 110.965 179.593 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -151.3 123.95 8.49 Favored 'General case' 0 C--O 1.25 1.095 1 N-CA-C 99.844 -4.132 . . . . 37.26 99.844 176.439 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.534 ' ND2' ' HA ' ' A' ' 22' ' ' SER . 1.5 m120 55.81 35.51 25.51 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.075 -0.966 . . . . 34.12 112.606 -179.371 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt 73.42 9.61 5.07 Favored 'General case' 0 C--O 1.259 1.587 0 N-CA-C 116.874 2.176 . . . . 36.02 116.874 177.987 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 99.5 t -108.08 135.68 46.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 N-CA-C 107.49 -1.3 . . . . 24.89 107.49 179.364 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.664 ' CZ ' HE22 ' A' ' 80' ' ' GLN . 6.3 ttm180 -78.29 126.7 31.16 Favored 'General case' 0 CA--C 1.491 -1.291 0 N-CA-C 103.762 -2.681 . . . . 38.68 103.762 179.113 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 6.9 pt -120.09 -13.4 9.07 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 O-C-N 123.985 0.803 . . . . 26.02 112.473 -179.46 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.665 ' OD1' ' HE1' ' A' ' 106' ' ' HIS . 5.3 t0 -158.23 170.57 21.96 Favored 'General case' 0 C--O 1.252 1.203 0 CA-C-N 119.448 1.022 . . . . 24.65 110.759 178.427 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.17 150.75 28.44 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-O 121.757 0.789 . . . . 33.98 110.51 179.873 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -154.74 126.74 7.68 Favored 'General case' 0 C--O 1.242 0.71 0 N-CA-C 105.97 -1.863 . . . . 21.01 105.97 -179.769 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -103.63 146.5 28.48 Favored 'General case' 0 N--CA 1.442 -0.875 0 C-N-CA 124.253 1.021 . . . . 21.74 111.54 179.215 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.484 ' HA3' ' O ' ' A' ' 111' ' ' HOH . . . 108.15 170.89 21.5 Favored Glycine 0 CA--C 1.485 -1.818 0 N-CA-C 120.97 3.148 . . . . 22.0 120.97 176.132 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -104.21 16.67 25.7 Favored 'General case' 0 C--O 1.261 1.689 0 CA-C-N 112.947 -1.627 . . . . 22.66 115.27 -176.675 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -83.88 106.85 15.88 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 103.728 -2.693 . . . . 25.9 103.728 178.528 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.85 -30.83 68.41 Favored 'General case' 0 CA--C 1.493 -1.248 0 CA-C-N 114.829 -1.078 . . . . 20.24 113.222 -176.743 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 65.2 t -65.18 -53.76 36.93 Favored 'Isoleucine or valine' 0 C--O 1.242 0.698 0 O-C-N 123.431 0.457 . . . . 22.67 109.837 -179.96 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -54.86 -41.05 74.77 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 118.866 -1.635 . . . . 21.24 111.646 178.147 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 45.4 tp -61.66 -52.6 63.65 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 113.026 0.75 . . . . 22.55 113.026 -178.725 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 71.7 tt0 -64.12 -30.92 71.96 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 119.856 -0.738 . . . . 24.34 112.416 -179.93 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -41.32 97.88 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 109.091 -0.707 . . . . 36.99 109.091 178.987 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.575 ' HA ' ' HG2' ' A' ' 105' ' ' GLN . 25.8 mtpp -74.37 -27.89 60.87 Favored 'General case' 0 N--CA 1.482 1.15 0 O-C-N 121.306 -0.871 . . . . 31.48 111.535 178.282 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 91.4 mt -69.46 -43.14 81.0 Favored 'Isoleucine or valine' 0 C--O 1.253 1.276 0 N-CA-C 106.388 -1.708 . . . . 23.16 106.388 178.441 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -61.47 -40.69 95.43 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.166 -0.924 . . . . 33.91 109.337 179.09 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.575 ' HG2' ' HA ' ' A' ' 102' ' ' LYS . 15.6 pt20 -64.08 -22.96 67.15 Favored 'General case' 0 C--O 1.217 -0.627 0 C-N-CA 119.293 -0.963 . . . . 34.21 112.018 -176.702 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.665 ' HE1' ' OD1' ' A' ' 89' ' ' ASP . 36.9 m80 -90.59 -29.68 17.66 Favored 'General case' 0 CA--C 1.505 -0.75 0 N-CA-C 112.779 0.659 . . . . 32.39 112.779 178.01 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 108' ' ' GLU . 86.3 mt -65.84 -8.46 21.96 Favored 'General case' 0 CA--C 1.551 1.019 0 N-CA-C 106.775 -1.565 . . . . 41.96 106.775 176.454 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.577 ' OXT' ' HG3' ' A' ' 108' ' ' GLU . 15.5 pt-20 . . . . . 0 C--O 1.259 1.587 0 C-N-CA 125.961 1.704 . . . . 52.88 112.989 177.19 . . . . . . . . 1 1 . 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 . . . . . 0.484 ' O ' ' HA3' ' A' ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . 0.474 ' O ' ' HG2' ' A' ' 15' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_