data_1bhz_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 1bhz _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 55.8 tttp . . . . . 0 N--CA 1.482 1.148 0 N-CA-C 113.19 0.811 . . . . 20.0 113.19 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 51.0 t -98.6 113.36 33.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 106.788 -1.56 . . . . 20.0 106.788 176.715 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -79.07 150.28 31.89 Favored 'General case' 0 N--CA 1.438 -1.068 0 CA-C-O 123.85 1.786 . . . . 20.0 113.375 -177.529 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.94 153.36 37.95 Favored Glycine 1 C--N 0.919 -22.631 1 O-C-N 116.051 -4.156 . . . . 20.0 108.088 166.116 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -49.02 -61.55 2.0 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 114.27 1.211 . . . . 20.0 114.27 179.739 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 69.8 m -71.6 -31.9 67.44 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 119.274 -2.142 . . . . 20.0 112.052 179.968 -58.401 -71.997 -71.761 92.517 1.656 108.335 -55.954 -43.114 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -55.26 -45.45 76.09 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 119.467 -2.02 . . . . 20.0 113.2 171.619 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LEU . . . . . 0.459 ' CD2' ' CD1' ' A' ' 38' ' ' PHE . 39.5 tp -69.94 -43.89 70.68 Favored 'General case' 0 C--N 1.355 0.809 0 O-C-N 120.466 -1.396 . . . . 20.0 112.888 175.313 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -47.34 -47.62 25.77 Favored 'General case' 0 CA--C 1.557 1.246 0 CA-C-O 123.698 1.713 . . . . 20.0 114.188 171.133 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.23 -41.05 77.52 Favored 'General case' 0 CA--C 1.511 -0.542 0 O-C-N 119.948 -1.72 . . . . 20.0 110.17 178.613 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.67 -39.03 93.31 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 117.845 -3.034 . . . . 20.0 114.05 177.591 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' MET . . . . . 0.603 ' O ' ' N ' ' A' ' 17' ' ' LEU . 27.8 mtt -68.0 -40.17 83.1 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 114.476 1.287 . . . . 20.0 114.476 177.488 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.1 tttt -64.14 -47.82 78.43 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-O 122.551 1.167 . . . . 20.0 110.984 173.016 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.39 -35.66 39.89 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 123.03 1.395 . . . . 20.0 112.772 174.767 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' HIS . . . . . 0.794 ' O ' ' NZ ' ' A' ' 96' ' ' LYS . 72.0 m80 -92.95 16.27 13.03 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 118.195 2.665 . . . . 20.0 118.195 177.003 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.24 10.83 77.02 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 117.123 1.609 . . . . 20.0 117.123 172.355 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LEU . . . . . 0.603 ' N ' ' O ' ' A' ' 12' ' ' MET . 0.2 OUTLIER -80.98 -20.71 41.28 Favored 'General case' 1 C--N 1.585 10.816 3 O-C-N 142.404 11.297 . . . . 20.0 118.725 -177.011 . . . . . . . . 5 4 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -60.99 123.38 17.46 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-N 123.424 2.829 . . . . 20.0 109.103 177.671 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 55.81 23.79 6.76 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 120.091 3.367 . . . . 20.0 120.091 -170.878 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -66.31 123.99 21.48 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 107.925 -1.139 . . . . 20.0 107.925 173.002 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ARG . . . . . 0.445 ' NH1' ' CA ' ' A' ' 104' ' ' GLY . 6.1 ttp180 46.26 41.52 9.02 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 128.494 2.718 . . . . 20.0 112.119 -168.259 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.07 1.53 89.63 Favored Glycine 0 CA--C 1.523 0.554 0 O-C-N 119.15 -2.219 . . . . 20.0 115.349 177.148 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -98.94 92.95 5.76 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 120.86 2.33 . . . . 20.0 113.152 179.845 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 80.2 p -38.32 159.01 0.01 OUTLIER 'General case' 1 C--N 1.448 4.879 3 CA-C-N 103.203 -6.362 . . . . 20.0 113.447 174.82 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.9 tp -71.27 151.94 43.76 Favored 'General case' 0 C--O 1.268 2.045 1 N-CA-C 100.128 -4.026 . . . . 20.0 100.128 169.118 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.51 -59.71 0.35 Allowed Glycine 0 C--N 1.3 -1.465 2 N-CA-C 100.413 -5.075 . . . . 20.0 100.413 -166.6 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -63.95 -47.61 79.79 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-N 121.312 2.556 . . . . 20.0 113.44 176.071 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 100.0 m95 -65.84 -38.61 89.35 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-O 122.967 1.365 . . . . 20.0 113.573 178.474 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 79.2 t -73.95 -42.56 53.02 Favored 'Isoleucine or valine' 0 C--N 1.343 0.299 0 O-C-N 120.352 -1.468 . . . . 20.0 107.226 179.792 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 41.8 t -59.35 -43.53 92.78 Favored 'General case' 0 CA--C 1.56 1.335 0 O-C-N 119.884 -1.76 . . . . 20.0 111.539 173.81 -176.452 -86.255 -90.653 113.683 2.033 102.131 -86.798 -58.463 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.72 -53.29 58.47 Favored 'General case' 0 N--CA 1.45 -0.434 0 O-C-N 119.439 -2.038 . . . . 20.0 114.123 172.861 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.7 -43.52 90.06 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-O 123.863 1.792 . . . . 20.0 115.007 174.103 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 46.1 tptt -47.02 -61.11 2.03 Favored 'General case' 0 CA--C 1.512 -0.496 0 O-C-N 119.174 -2.204 . . . . 20.0 114.304 169.901 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -79.34 -19.35 50.5 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 115.394 1.627 . . . . 20.0 115.394 -176.541 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -78.45 -43.65 26.64 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 121.836 0.827 . . . . 20.0 113.096 177.875 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 91.3 p -137.69 -9.78 1.62 Allowed 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 115.129 1.529 . . . . 20.0 115.129 -171.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 68.01 38.26 2.79 Favored 'General case' 0 C--N 1.287 -2.119 0 CA-C-O 123.974 1.845 . . . . 20.0 111.683 -177.161 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' PHE . . . . . 0.459 ' CD1' ' CD2' ' A' ' 8' ' ' LEU . 19.4 m-85 63.74 20.3 12.15 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 111.546 -2.57 . . . . 20.0 117.538 -178.013 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -106.81 115.99 31.15 Favored 'General case' 0 CA--C 1.495 -1.172 0 CA-C-O 124.196 1.951 . . . . 20.0 108.228 -177.578 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 25.3 p -62.91 -18.79 63.5 Favored 'General case' 1 C--N 1.528 8.331 2 CA-C-N 106.444 -4.889 . . . . 20.0 115.372 -179.262 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -97.33 -4.61 38.28 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 116.878 -1.534 . . . . 20.0 114.019 -179.639 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.31 135.09 57.54 Favored 'General case' 0 C--N 1.253 -3.588 0 CA-C-N 123.476 2.853 . . . . 20.0 112.793 -175.841 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 38.0 p -129.53 143.42 50.82 Favored 'General case' 0 CA--C 1.495 -1.147 0 O-C-N 120.194 -1.566 . . . . 20.0 107.093 178.161 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ASN . . . . . 0.529 ' O ' ' N ' ' A' ' 52' ' ' ASP . 56.1 m-80 -138.9 128.84 25.11 Favored 'General case' 0 C--N 1.311 -1.088 0 O-C-N 118.8 -2.437 . . . . 20.0 112.216 173.347 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ARG . . . . . 0.409 ' NE ' ' NH2' ' A' ' 68' ' ' ARG . 7.7 tpp85 -86.81 109.23 19.13 Favored 'General case' 0 CA--C 1.505 -0.782 0 CA-C-O 123.419 1.58 . . . . 20.0 112.805 178.61 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -62.2 163.84 7.73 Favored 'General case' 0 C--N 1.326 -0.422 1 O-C-N 108.745 -8.722 . . . . 20.0 113.645 173.669 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.9 t -70.34 -28.77 65.4 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 120.747 -1.221 . . . . 20.0 113.012 -179.524 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 54.9 p30 -71.78 3.82 3.82 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 119.88 -1.763 . . . . 20.0 115.722 173.716 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLY . . . . . 1.485 ' C ' ' CA ' ' A' ' 50' ' ' SER . . . 97.14 -33.22 5.94 Favored Glycine 0 CA--C 1.538 1.475 0 O-C-N 117.351 -3.343 . . . . 20.0 116.018 -175.26 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' SER . . . . . 1.485 ' CA ' ' C ' ' A' ' 49' ' ' GLY . 87.3 p -65.04 170.15 4.69 Favored 'General case' 1 C--N 0.736 -26.077 2 C-N-CA 106.785 -5.966 . . . . 20.0 115.132 175.173 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' THR . . . . . 0.401 ' OG1' ' NH2' ' A' ' 68' ' ' ARG . 32.5 m -132.29 143.17 49.7 Favored 'General case' 0 C--N 1.314 -0.963 0 O-C-N 118.314 -2.741 . . . . 20.0 108.689 -179.407 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ASP . . . . . 0.529 ' N ' ' O ' ' A' ' 44' ' ' ASN . 59.6 m-20 -99.63 136.98 38.75 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 123.083 1.42 . . . . 20.0 113.825 171.775 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -123.71 130.29 52.41 Favored 'General case' 0 C--O 1.246 0.918 0 N-CA-C 117.961 2.578 . . . . 20.0 117.961 -166.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 88.92 -171.8 39.55 Favored Glycine 1 C--N 1.111 -11.928 3 O-C-N 100.532 -13.855 . . . . 20.0 117.51 165.991 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.259 4.0 tp -49.25 -39.32 12.78 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.03 0 CA-C-O 124.639 2.162 . . . . 20.0 114.342 -178.447 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' LEU . . . . . 1.43 ' C ' ' N ' ' A' ' 57' ' ' GLN . 87.8 mt -109.44 21.69 16.72 Favored 'General case' 0 CA--C 1.548 0.883 0 O-C-N 118.816 -2.427 . . . . 20.0 114.218 177.331 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLN . . . . . 1.43 ' N ' ' C ' ' A' ' 56' ' ' LEU . 15.5 mm100 38.86 53.76 2.0 Allowed 'General case' 1 C--N 1.721 16.746 0 CA-C-O 125.201 2.429 . . . . 20.0 115.194 174.674 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 66.1 mt -77.85 129.78 37.03 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 CA-C-O 125.027 2.346 . . . . 20.0 110.267 179.169 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -80.7 134.17 35.81 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 110.965 -2.834 . . . . 20.0 117.989 -173.204 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 63.9 p -74.44 6.47 3.68 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 116.528 -1.701 . . . . 20.0 115.36 179.537 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -86.73 -36.57 18.58 Favored 'General case' 1 C--N 1.454 5.131 3 O-C-N 103.107 -12.246 . . . . 20.0 110.956 175.251 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 5.9 m-90 -111.89 -33.08 6.4 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 120.645 3.572 . . . . 20.0 120.645 177.462 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -108.25 -29.32 8.96 Favored 'General case' 0 CA--C 1.49 -1.327 0 N-CA-C 119.482 3.141 . . . . 20.0 119.482 -160.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 28.5 p -138.6 160.21 40.18 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-O 123.074 1.416 . . . . 20.0 113.978 178.718 61.334 84.393 94.762 102.432 1.925 104.465 -61.447 -61.409 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -95.86 119.33 34.17 Favored 'General case' 0 C--N 1.321 -0.665 0 O-C-N 119.305 -2.122 . . . . 20.0 114.402 176.344 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 58.5 p30 -113.65 6.96 17.13 Favored 'General case' 0 C--O 1.245 0.839 0 O-C-N 120.444 -1.41 . . . . 20.0 112.833 174.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.13 -8.34 2.03 Favored Glycine 0 C--O 1.219 -0.816 0 CA-C-O 118.335 -1.258 . . . . 20.0 114.351 -179.444 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ARG . . . . . 0.409 ' NH2' ' NE ' ' A' ' 45' ' ' ARG . 7.5 ptt180 -122.11 25.27 9.12 Favored 'General case' 0 N--CA 1.452 -0.345 1 CA-C-N 124.426 4.113 . . . . 20.0 115.392 175.769 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.9 m -121.17 93.74 48.82 Favored Pre-proline 0 C--O 1.246 0.883 0 CA-C-O 124.542 2.115 . . . . 20.0 109.041 175.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_exo -60.41 141.89 96.71 Favored 'Trans proline' 0 CA--C 1.549 1.249 0 N-CA-C 115.503 1.309 . . . . 20.0 115.503 -176.125 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 79.81 -14.91 16.91 Favored Glycine 0 CA--C 1.534 1.222 0 O-C-N 116.727 -3.733 . . . . 20.0 113.527 -177.08 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.0 t -50.4 140.53 13.47 Favored 'General case' 0 CA--C 1.559 1.293 0 CA-C-N 123.159 3.48 . . . . 20.0 119.381 173.339 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -91.88 -9.22 44.05 Favored 'General case' 0 N--CA 1.47 0.527 1 N-CA-C 122.371 4.212 . . . . 20.0 122.371 -178.642 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 34.2 t-20 39.25 50.03 1.86 Allowed 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 118.269 2.692 . . . . 20.0 118.269 -179.035 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 61.7 mt -66.09 -27.66 68.23 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 116.641 2.089 . . . . 20.0 116.641 -176.376 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' CYS . . . . . 1.293 ' SG ' ' SG ' ' A' ' 94' ' ' CYS . 87.0 m -82.09 3.24 27.68 Favored 'General case' 0 C--O 1.223 -0.303 0 O-C-N 119.953 -1.717 . . . . 20.0 114.37 172.881 -67.114 169.059 83.396 103.793 2.301 110.203 44.299 -163.163 2 2 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 45.23 58.27 4.23 Favored 'General case' 0 C--O 1.245 0.836 0 N-CA-C 118.088 2.625 . . . . 20.0 118.088 -176.699 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 3.0 tt -152.34 145.55 17.58 Favored Pre-proline 0 N--CA 1.43 -1.433 0 CA-C-N 111.496 -2.593 . . . . 20.0 114.283 -173.03 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -67.99 135.93 36.53 Favored 'Trans proline' 0 C--N 1.276 -3.258 0 C-N-CA 115.787 -2.342 . . . . 20.0 108.405 172.429 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 74.7 m -51.88 -29.54 20.26 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 115.584 1.698 . . . . 20.0 115.584 177.043 -61.409 -61.447 94.762 104.465 1.925 102.432 84.393 61.334 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 59.7 p -65.66 -21.62 66.57 Favored 'General case' 0 C--O 1.21 -0.983 0 O-C-N 118.502 -2.624 . . . . 20.0 113.344 177.241 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.22 -28.11 69.45 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 119.3 -2.125 . . . . 20.0 113.028 173.045 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -14.52 62.97 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 116.687 2.106 . . . . 20.0 116.687 174.97 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 48.0 mt -96.22 -12.55 24.44 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 115.166 1.543 . . . . 20.0 115.166 179.452 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 38.0 t -48.69 154.93 0.62 Allowed 'General case' 1 C--N 1.17 -7.215 0 N-CA-C 117.077 2.251 . . . . 20.0 117.077 176.881 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 87.8 p -73.46 -14.81 61.31 Favored 'General case' 0 C--O 1.238 0.483 0 O-C-N 120.077 -1.639 . . . . 20.0 114.083 174.76 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -88.6 117.41 27.53 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 120.344 -1.472 . . . . 20.0 108.13 169.612 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 32.6 pt -77.76 9.56 0.6 Allowed 'Isoleucine or valine' 1 C--N 1.536 8.687 0 C-N-CA 113.033 -3.467 . . . . 20.0 115.688 -177.314 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 86.8 m -53.75 -53.77 47.59 Favored 'General case' 1 C--N 1.153 -7.95 0 N-CA-C 118.41 2.744 . . . . 20.0 118.41 -176.836 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.15 -40.95 97.67 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 119.69 -1.881 . . . . 20.0 110.256 177.352 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.6 m -64.2 -39.97 95.1 Favored 'General case' 0 CA--C 1.505 -0.774 0 O-C-N 119.95 -1.719 . . . . 20.0 110.833 179.063 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 31.0 t -70.84 -41.4 77.3 Favored 'Isoleucine or valine' 0 C--O 1.248 1.026 0 CA-C-O 123.786 1.755 . . . . 20.0 109.847 -176.41 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 -66.23 -34.18 77.44 Favored 'General case' 0 C--O 1.237 0.407 0 O-C-N 119.141 -2.225 . . . . 20.0 113.457 177.158 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' CYS . . . . . 1.293 ' SG ' ' SG ' ' A' ' 76' ' ' CYS . 8.9 t -69.73 -40.29 76.31 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 122.869 1.318 . . . . 20.0 114.017 171.904 -163.163 44.299 83.396 110.203 2.301 103.793 169.059 -67.114 2 2 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.87 -38.27 85.04 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 119.643 -1.911 . . . . 20.0 112.416 179.067 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' LYS . . . . . 0.794 ' NZ ' ' O ' ' A' ' 15' ' ' HIS . 89.1 mttt -56.65 -37.97 71.51 Favored 'General case' 0 C--N 1.359 1.017 0 O-C-N 124.243 0.965 . . . . 20.0 113.059 171.945 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -72.57 -41.23 65.92 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 122.892 1.329 . . . . 20.0 112.49 175.564 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 62.2 mt -64.52 -51.35 68.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 115.821 -2.038 . . . . 20.0 110.288 176.983 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . 0.344 0.0 OUTLIER -57.94 -28.1 32.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 CA-C-N 123.845 3.021 . . . . 20.0 114.106 178.446 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.0 m -76.73 -8.52 57.45 Favored 'General case' 0 C--N 1.349 0.552 0 N-CA-C 116.049 1.87 . . . . 20.0 116.049 177.346 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -70.02 -3.67 17.41 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 117.384 2.364 . . . . 20.0 117.384 -171.717 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 119.05 -41.35 2.02 Favored Glycine 0 C--N 1.263 -3.481 0 C-N-CA 114.159 -3.877 . . . . 20.0 111.469 -179.396 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -99.32 12.46 36.21 Favored 'General case' 0 C--O 1.224 -0.272 1 N-CA-C 122.708 4.336 . . . . 20.0 122.708 174.336 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' GLY . . . . . 0.445 ' CA ' ' NH1' ' A' ' 21' ' ' ARG . . . 56.32 -138.84 45.23 Favored Glycine 0 CA--C 1.539 1.588 0 O-C-N 119.842 -1.786 . . . . 20.0 114.855 178.427 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 38.5 mtp -81.78 -0.29 42.5 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 115.725 1.75 . . . . 20.0 115.725 -178.435 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' ASN . . . . . 0.467 ' ND2' ' NZ ' ' A' ' 116' ' ' LYS . 29.1 m120 -64.6 -17.58 64.12 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-O 122.061 0.934 . . . . 20.0 112.256 171.793 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.47 -15.76 29.92 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 120.738 -1.226 . . . . 20.0 113.158 169.823 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 30.9 m-90 -110.53 111.49 22.77 Favored 'General case' 1 C--N 1.042 -12.768 0 C-N-CA 115.586 -2.446 . . . . 20.0 107.656 177.549 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 39.3 t -63.69 -40.75 90.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.178 -0.919 . . . . 20.0 113.234 -174.477 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.77 -33.68 76.16 Favored 'General case' 0 CA--C 1.546 0.809 0 O-C-N 119.711 -1.868 . . . . 20.0 112.856 175.061 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 83.2 t90 -57.17 -51.09 70.7 Favored 'General case' 0 C--N 1.353 0.756 0 O-C-N 119.394 -2.066 . . . . 20.0 111.93 167.629 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 7.3 ptt-85 -72.98 -28.75 62.58 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 115.975 -2.29 . . . . 20.0 115.1 -179.757 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -81.54 -22.25 37.99 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 117.862 2.541 . . . . 20.0 117.862 174.385 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 44.4 mtp180 -125.61 -19.14 5.04 Favored 'General case' 0 CA--C 1.496 -1.111 0 N-CA-C 116.056 1.873 . . . . 20.0 116.056 -172.817 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' CYS . . . . . 0.525 ' O ' ' C ' ' A' ' 116' ' ' LYS . 70.1 m -111.16 -66.51 1.07 Allowed 'General case' 0 CA--C 1.507 -0.676 0 N-CA-C 115.678 1.733 . . . . 20.0 115.678 -176.165 -58.463 -86.798 -90.653 102.131 2.033 113.683 -86.255 -176.452 2 2 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' LYS . . . . . 0.525 ' C ' ' O ' ' A' ' 115' ' ' CYS . 75.7 tttt -26.84 125.71 0.07 Allowed 'General case' 1 C--N 1.109 -9.858 2 CA-C-N 104.145 -5.934 . . . . 20.0 111.554 176.371 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 66.44 22.29 71.19 Favored Glycine 0 C--N 1.345 1.061 0 N-CA-C 115.964 1.146 . . . . 20.0 115.964 178.379 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' THR . . . . . 0.496 ' O ' ' N ' ' A' ' 120' ' ' VAL . 15.7 p -108.72 173.17 6.44 Favored 'General case' 0 C--O 1.235 0.299 0 O-C-N 120.839 -1.389 . . . . 20.0 109.699 175.347 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -78.64 73.71 5.19 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 125.351 3.705 . . . . 20.0 112.689 175.117 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' VAL . . . . . 0.496 ' N ' ' O ' ' A' ' 118' ' ' THR . 33.6 m -59.18 -14.21 5.01 Favored 'Isoleucine or valine' 1 C--N 1.514 7.735 3 CA-C-N 101.177 -7.283 . . . . 20.0 113.826 -177.539 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -60.88 -29.52 69.61 Favored 'General case' 0 CA--C 1.558 1.277 0 CA-C-O 125.089 2.376 . . . . 20.0 111.85 174.182 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.23 -31.77 69.36 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 118.18 -2.825 . . . . 20.0 114.192 176.458 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -64.42 -23.84 67.42 Favored 'General case' 0 CA--C 1.557 1.24 0 O-C-N 118.972 -2.33 . . . . 20.0 116.702 177.326 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 45.6 pt -107.2 -3.41 10.08 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.697 0 O-C-N 118.986 -2.321 . . . . 20.0 111.84 173.292 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 4.1 ttm180 -35.69 -48.2 0.52 Allowed 'General case' 0 C--N 1.392 2.422 2 O-C-N 114.465 -5.147 . . . . 20.0 123.44 -177.273 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -102.4 7.96 54.57 Favored Glycine 0 N--CA 1.481 1.692 0 O-C-N 116.332 -3.98 . . . . 20.0 116.406 179.961 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 6.8 m -78.61 141.02 38.36 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 120.022 3.342 . . . . 20.0 120.022 -170.297 -43.114 -55.954 -71.761 108.335 1.656 92.517 -71.997 -58.401 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 35.9 mtp85 -81.35 108.64 15.13 Favored 'General case' 0 CA--C 1.496 -1.115 0 N-CA-C 106.994 -1.484 . . . . 20.0 106.994 170.961 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.296 -1.727 0 CA-C-O 117.211 -1.376 . . . . 20.0 107.514 179.706 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 55.8 tttp . . . . . 0 N--CA 1.482 1.148 0 N-CA-C 113.19 0.811 . . . . 20.0 113.19 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 51.0 t -98.6 113.36 33.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 106.788 -1.56 . . . . 20.0 106.788 176.715 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' PHE . . . . . 0.4 ' HD2' ' HG2' ' A' ' 7' ' ' GLU . 32.6 m-85 -79.07 150.28 31.89 Favored 'General case' 0 N--CA 1.438 -1.068 0 CA-C-O 123.85 1.786 . . . . 20.0 113.375 -177.529 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.94 153.36 37.95 Favored Glycine 1 C--N 0.919 -22.631 1 O-C-N 116.051 -4.156 . . . . 20.0 108.088 166.116 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -49.02 -61.55 2.0 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 114.27 1.211 . . . . 20.0 114.27 179.739 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' CYS . . . . . 0.408 ' HB3' ' HB3' ' A' ' 127' ' ' CYS . 69.8 m -71.6 -31.9 67.44 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 119.274 -2.142 . . . . 20.0 112.052 179.968 -58.401 -71.997 -71.761 92.517 1.656 108.335 -55.954 -43.114 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLU . . . . . 0.4 ' HG2' ' HD2' ' A' ' 3' ' ' PHE . 70.5 tt0 -55.26 -45.45 76.09 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 119.467 -2.02 . . . . 20.0 113.2 171.619 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LEU . . . . . 0.459 ' CD2' ' CD1' ' A' ' 38' ' ' PHE . 39.5 tp -69.94 -43.89 70.68 Favored 'General case' 0 C--N 1.355 0.809 0 O-C-N 120.466 -1.396 . . . . 20.0 112.888 175.313 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -47.34 -47.62 25.77 Favored 'General case' 0 CA--C 1.557 1.246 0 CA-C-O 123.698 1.713 . . . . 20.0 114.188 171.133 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.23 -41.05 77.52 Favored 'General case' 0 CA--C 1.511 -0.542 0 O-C-N 119.948 -1.72 . . . . 20.0 110.17 178.613 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.67 -39.03 93.31 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 117.845 -3.034 . . . . 20.0 114.05 177.591 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' MET . . . . . 0.617 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 27.8 mtt -68.0 -40.17 83.1 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 114.476 1.287 . . . . 20.0 114.476 177.488 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LYS . . . . . 0.617 ' HG3' ' HB2' ' A' ' 18' ' ' ASP . 63.1 tttt -64.14 -47.82 78.43 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-O 122.551 1.167 . . . . 20.0 110.984 173.016 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.39 -35.66 39.89 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 123.03 1.395 . . . . 20.0 112.772 174.767 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' HIS . . . . . 0.879 ' HB3' HG11 ' A' ' 92' ' ' VAL . 72.0 m80 -92.95 16.27 13.03 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 118.195 2.665 . . . . 20.0 118.195 177.003 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.24 10.83 77.02 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 117.123 1.609 . . . . 20.0 117.123 172.355 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LEU . . . . . 0.617 ' HB2' ' O ' ' A' ' 12' ' ' MET . 0.2 OUTLIER -80.98 -20.71 41.28 Favored 'General case' 1 C--N 1.585 10.816 3 O-C-N 142.404 11.297 . . . . 20.0 118.725 -177.011 . . . . . . . . 5 4 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASP . . . . . 0.617 ' HB2' ' HG3' ' A' ' 13' ' ' LYS . 43.8 t0 -60.99 123.38 17.46 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-N 123.424 2.829 . . . . 20.0 109.103 177.671 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 55.81 23.79 6.76 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 120.091 3.367 . . . . 20.0 120.091 -170.878 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -66.31 123.99 21.48 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 107.925 -1.139 . . . . 20.0 107.925 173.002 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ARG . . . . . 0.445 ' NH1' ' CA ' ' A' ' 104' ' ' GLY . 6.1 ttp180 46.26 41.52 9.02 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 128.494 2.718 . . . . 20.0 112.119 -168.259 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.07 1.53 89.63 Favored Glycine 0 CA--C 1.523 0.554 0 O-C-N 119.15 -2.219 . . . . 20.0 115.349 177.148 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' TYR . . . . . 0.612 ' CE2' ' HB2' ' A' ' 105' ' ' MET . 85.7 m-85 -98.94 92.95 5.76 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 120.86 2.33 . . . . 20.0 113.152 179.845 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 80.2 p -38.32 159.01 0.01 OUTLIER 'General case' 1 C--N 1.448 4.879 3 CA-C-N 103.203 -6.362 . . . . 20.0 113.447 174.82 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.9 tp -71.27 151.94 43.76 Favored 'General case' 0 C--O 1.268 2.045 1 N-CA-C 100.128 -4.026 . . . . 20.0 100.128 169.118 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.51 -59.71 0.35 Allowed Glycine 0 C--N 1.3 -1.465 2 N-CA-C 100.413 -5.075 . . . . 20.0 100.413 -166.6 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -63.95 -47.61 79.79 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-N 121.312 2.556 . . . . 20.0 113.44 176.071 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 100.0 m95 -65.84 -38.61 89.35 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-O 122.967 1.365 . . . . 20.0 113.573 178.474 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 79.2 t -73.95 -42.56 53.02 Favored 'Isoleucine or valine' 0 C--N 1.343 0.299 0 O-C-N 120.352 -1.468 . . . . 20.0 107.226 179.792 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 41.8 t -59.35 -43.53 92.78 Favored 'General case' 0 CA--C 1.56 1.335 0 O-C-N 119.884 -1.76 . . . . 20.0 111.539 173.81 -176.452 -86.255 -90.653 113.683 2.033 102.131 -86.798 -58.463 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.72 -53.29 58.47 Favored 'General case' 0 N--CA 1.45 -0.434 0 O-C-N 119.439 -2.038 . . . . 20.0 114.123 172.861 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.7 -43.52 90.06 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-O 123.863 1.792 . . . . 20.0 115.007 174.103 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LYS . . . . . 0.605 ' HG2' ' CH2' ' A' ' 123' ' ' TRP . 46.1 tptt -47.02 -61.11 2.03 Favored 'General case' 0 CA--C 1.512 -0.496 0 O-C-N 119.174 -2.204 . . . . 20.0 114.304 169.901 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -79.34 -19.35 50.5 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 115.394 1.627 . . . . 20.0 115.394 -176.541 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -78.45 -43.65 26.64 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 121.836 0.827 . . . . 20.0 113.096 177.875 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 91.3 p -137.69 -9.78 1.62 Allowed 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 115.129 1.529 . . . . 20.0 115.129 -171.386 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.3 t30 68.01 38.26 2.79 Favored 'General case' 0 C--N 1.287 -2.119 0 CA-C-O 123.974 1.845 . . . . 20.0 111.683 -177.161 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' PHE . . . . . 0.459 ' CD1' ' CD2' ' A' ' 8' ' ' LEU . 19.4 m-85 63.74 20.3 12.15 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 111.546 -2.57 . . . . 20.0 117.538 -178.013 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -106.81 115.99 31.15 Favored 'General case' 0 CA--C 1.495 -1.172 0 CA-C-O 124.196 1.951 . . . . 20.0 108.228 -177.578 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 25.3 p -62.91 -18.79 63.5 Favored 'General case' 1 C--N 1.528 8.331 2 CA-C-N 106.444 -4.889 . . . . 20.0 115.372 -179.262 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -97.33 -4.61 38.28 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 116.878 -1.534 . . . . 20.0 114.019 -179.639 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.31 135.09 57.54 Favored 'General case' 0 C--N 1.253 -3.588 0 CA-C-N 123.476 2.853 . . . . 20.0 112.793 -175.841 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' THR . . . . . 0.47 ' HA ' ' O ' ' A' ' 52' ' ' ASP . 38.0 p -129.53 143.42 50.82 Favored 'General case' 0 CA--C 1.495 -1.147 0 O-C-N 120.194 -1.566 . . . . 20.0 107.093 178.161 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -138.9 128.84 25.11 Favored 'General case' 0 C--N 1.311 -1.088 0 O-C-N 118.8 -2.437 . . . . 20.0 112.216 173.347 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ARG . . . . . 0.609 ' HD3' ' OG1' ' A' ' 51' ' ' THR . 7.7 tpp85 -86.81 109.23 19.13 Favored 'General case' 0 CA--C 1.505 -0.782 0 CA-C-O 123.419 1.58 . . . . 20.0 112.805 178.61 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -62.2 163.84 7.73 Favored 'General case' 0 C--N 1.326 -0.422 1 O-C-N 108.745 -8.722 . . . . 20.0 113.645 173.669 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.9 t -70.34 -28.77 65.4 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 120.747 -1.221 . . . . 20.0 113.012 -179.524 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 54.9 p30 -71.78 3.82 3.82 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 119.88 -1.763 . . . . 20.0 115.722 173.716 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLY . . . . . 1.485 ' C ' ' CA ' ' A' ' 50' ' ' SER . . . 97.14 -33.22 5.94 Favored Glycine 0 CA--C 1.538 1.475 0 O-C-N 117.351 -3.343 . . . . 20.0 116.018 -175.26 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' SER . . . . . 1.485 ' CA ' ' C ' ' A' ' 49' ' ' GLY . 87.3 p -65.04 170.15 4.69 Favored 'General case' 1 C--N 0.736 -26.077 2 C-N-CA 106.785 -5.966 . . . . 20.0 115.132 175.173 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 51' ' ' THR . . . . . 0.609 ' OG1' ' HD3' ' A' ' 45' ' ' ARG . 32.5 m -132.29 143.17 49.7 Favored 'General case' 0 C--N 1.314 -0.963 0 O-C-N 118.314 -2.741 . . . . 20.0 108.689 -179.407 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ASP . . . . . 0.47 ' O ' ' HA ' ' A' ' 43' ' ' THR . 59.6 m-20 -99.63 136.98 38.75 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 123.083 1.42 . . . . 20.0 113.825 171.775 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 53' ' ' TYR . . . . . 0.4 ' CE2' ' HB ' ' A' ' 51' ' ' THR . 91.3 m-85 -123.71 130.29 52.41 Favored 'General case' 0 C--O 1.246 0.918 0 N-CA-C 117.961 2.578 . . . . 20.0 117.961 -166.858 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 88.92 -171.8 39.55 Favored Glycine 1 C--N 1.111 -11.928 3 O-C-N 100.532 -13.855 . . . . 20.0 117.51 165.991 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.259 4.0 tp -49.25 -39.32 12.78 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.03 0 CA-C-O 124.639 2.162 . . . . 20.0 114.342 -178.447 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' LEU . . . . . 1.43 ' C ' ' N ' ' A' ' 57' ' ' GLN . 87.8 mt -109.44 21.69 16.72 Favored 'General case' 0 CA--C 1.548 0.883 0 O-C-N 118.816 -2.427 . . . . 20.0 114.218 177.331 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLN . . . . . 1.43 ' N ' ' C ' ' A' ' 56' ' ' LEU . 28.9 mm-40 38.86 53.76 2.0 Allowed 'General case' 1 C--N 1.721 16.746 0 CA-C-O 125.201 2.429 . . . . 20.0 115.194 174.674 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 66.1 mt -77.85 129.78 37.03 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 CA-C-O 125.027 2.346 . . . . 20.0 110.267 179.169 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -80.7 134.17 35.81 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 110.965 -2.834 . . . . 20.0 117.989 -173.204 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 63.9 p -74.44 6.47 3.68 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 116.528 -1.701 . . . . 20.0 115.36 179.537 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -86.73 -36.57 18.58 Favored 'General case' 1 C--N 1.454 5.131 3 O-C-N 103.107 -12.246 . . . . 20.0 110.956 175.251 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 5.9 m-90 -111.89 -33.08 6.4 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 120.645 3.572 . . . . 20.0 120.645 177.462 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -108.25 -29.32 8.96 Favored 'General case' 0 CA--C 1.49 -1.327 0 N-CA-C 119.482 3.141 . . . . 20.0 119.482 -160.937 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 28.5 p -138.6 160.21 40.18 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-O 123.074 1.416 . . . . 20.0 113.978 178.718 61.334 84.393 94.762 102.432 1.925 104.465 -61.447 -61.409 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -95.86 119.33 34.17 Favored 'General case' 0 C--N 1.321 -0.665 0 O-C-N 119.305 -2.122 . . . . 20.0 114.402 176.344 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 58.5 p30 -113.65 6.96 17.13 Favored 'General case' 0 C--O 1.245 0.839 0 O-C-N 120.444 -1.41 . . . . 20.0 112.833 174.921 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.13 -8.34 2.03 Favored Glycine 0 C--O 1.219 -0.816 0 CA-C-O 118.335 -1.258 . . . . 20.0 114.351 -179.444 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ARG . . . . . 0.409 ' NH2' ' NE ' ' A' ' 45' ' ' ARG . 7.5 ptt180 -122.11 25.27 9.12 Favored 'General case' 0 N--CA 1.452 -0.345 1 CA-C-N 124.426 4.113 . . . . 20.0 115.392 175.769 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.9 m -121.17 93.74 48.82 Favored Pre-proline 0 C--O 1.246 0.883 0 CA-C-O 124.542 2.115 . . . . 20.0 109.041 175.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_exo -60.41 141.89 96.71 Favored 'Trans proline' 0 CA--C 1.549 1.249 0 N-CA-C 115.503 1.309 . . . . 20.0 115.503 -176.125 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 79.81 -14.91 16.91 Favored Glycine 0 CA--C 1.534 1.222 0 O-C-N 116.727 -3.733 . . . . 20.0 113.527 -177.08 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.0 t -50.4 140.53 13.47 Favored 'General case' 0 CA--C 1.559 1.293 0 CA-C-N 123.159 3.48 . . . . 20.0 119.381 173.339 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -91.88 -9.22 44.05 Favored 'General case' 0 N--CA 1.47 0.527 1 N-CA-C 122.371 4.212 . . . . 20.0 122.371 -178.642 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 34.2 t-20 39.25 50.03 1.86 Allowed 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 118.269 2.692 . . . . 20.0 118.269 -179.035 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 61.7 mt -66.09 -27.66 68.23 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 116.641 2.089 . . . . 20.0 116.641 -176.376 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' CYS . . . . . 1.293 ' SG ' ' SG ' ' A' ' 94' ' ' CYS . 87.0 m -82.09 3.24 27.68 Favored 'General case' 0 C--O 1.223 -0.303 0 O-C-N 119.953 -1.717 . . . . 20.0 114.37 172.881 -67.114 169.059 83.396 103.793 2.301 110.203 44.299 -163.163 2 2 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 45.23 58.27 4.23 Favored 'General case' 0 C--O 1.245 0.836 0 N-CA-C 118.088 2.625 . . . . 20.0 118.088 -176.699 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 3.0 tt -152.34 145.55 17.58 Favored Pre-proline 0 N--CA 1.43 -1.433 0 CA-C-N 111.496 -2.593 . . . . 20.0 114.283 -173.03 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -67.99 135.93 36.53 Favored 'Trans proline' 0 C--N 1.276 -3.258 0 C-N-CA 115.787 -2.342 . . . . 20.0 108.405 172.429 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' CYS . . . . . 0.495 ' O ' ' HB2' ' A' ' 83' ' ' LEU . 74.7 m -51.88 -29.54 20.26 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 115.584 1.698 . . . . 20.0 115.584 177.043 -61.409 -61.447 94.762 104.465 1.925 102.432 84.393 61.334 2 2 . 1 . 001 ecloud build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 59.7 p -65.66 -21.62 66.57 Favored 'General case' 0 C--O 1.21 -0.983 0 O-C-N 118.502 -2.624 . . . . 20.0 113.344 177.241 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.22 -28.11 69.45 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 119.3 -2.125 . . . . 20.0 113.028 173.045 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' LEU . . . . . 0.495 ' HB2' ' O ' ' A' ' 80' ' ' CYS . 0.0 OUTLIER -69.35 -14.52 62.97 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 116.687 2.106 . . . . 20.0 116.687 174.97 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 48.0 mt -96.22 -12.55 24.44 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 115.166 1.543 . . . . 20.0 115.166 179.452 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 38.0 t -48.69 154.93 0.62 Allowed 'General case' 1 C--N 1.17 -7.215 0 N-CA-C 117.077 2.251 . . . . 20.0 117.077 176.881 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 87.8 p -73.46 -14.81 61.31 Favored 'General case' 0 C--O 1.238 0.483 0 O-C-N 120.077 -1.639 . . . . 20.0 114.083 174.76 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -88.6 117.41 27.53 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 120.344 -1.472 . . . . 20.0 108.13 169.612 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 32.6 pt -77.76 9.56 0.6 Allowed 'Isoleucine or valine' 1 C--N 1.536 8.687 0 C-N-CA 113.033 -3.467 . . . . 20.0 115.688 -177.314 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 86.8 m -53.75 -53.77 47.59 Favored 'General case' 1 C--N 1.153 -7.95 0 N-CA-C 118.41 2.744 . . . . 20.0 118.41 -176.836 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.15 -40.95 97.67 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 119.69 -1.881 . . . . 20.0 110.256 177.352 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.6 m -64.2 -39.97 95.1 Favored 'General case' 0 CA--C 1.505 -0.774 0 O-C-N 119.95 -1.719 . . . . 20.0 110.833 179.063 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' VAL . . . . . 0.879 HG11 ' HB3' ' A' ' 15' ' ' HIS . 31.0 t -70.84 -41.4 77.3 Favored 'Isoleucine or valine' 0 C--O 1.248 1.026 0 CA-C-O 123.786 1.755 . . . . 20.0 109.847 -176.41 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 -66.23 -34.18 77.44 Favored 'General case' 0 C--O 1.237 0.407 0 O-C-N 119.141 -2.225 . . . . 20.0 113.457 177.158 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' CYS . . . . . 1.293 ' SG ' ' SG ' ' A' ' 76' ' ' CYS . 8.9 t -69.73 -40.29 76.31 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 122.869 1.318 . . . . 20.0 114.017 171.904 -163.163 44.299 83.396 110.203 2.301 103.793 169.059 -67.114 2 2 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.87 -38.27 85.04 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 119.643 -1.911 . . . . 20.0 112.416 179.067 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' LYS . . . . . 0.702 ' NZ ' ' O ' ' A' ' 15' ' ' HIS . 89.1 mttt -56.65 -37.97 71.51 Favored 'General case' 0 C--N 1.359 1.017 0 O-C-N 124.243 0.965 . . . . 20.0 113.059 171.945 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -72.57 -41.23 65.92 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 122.892 1.329 . . . . 20.0 112.49 175.564 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 62.2 mt -64.52 -51.35 68.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 115.821 -2.038 . . . . 20.0 110.288 176.983 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . 0.344 0.0 OUTLIER -57.94 -28.1 32.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 CA-C-N 123.845 3.021 . . . . 20.0 114.106 178.446 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.0 m -76.73 -8.52 57.45 Favored 'General case' 0 C--N 1.349 0.552 0 N-CA-C 116.049 1.87 . . . . 20.0 116.049 177.346 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -70.02 -3.67 17.41 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 117.384 2.364 . . . . 20.0 117.384 -171.717 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 119.05 -41.35 2.02 Favored Glycine 0 C--N 1.263 -3.481 0 C-N-CA 114.159 -3.877 . . . . 20.0 111.469 -179.396 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -99.32 12.46 36.21 Favored 'General case' 0 C--O 1.224 -0.272 1 N-CA-C 122.708 4.336 . . . . 20.0 122.708 174.336 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 104' ' ' GLY . . . . . 0.445 ' CA ' ' NH1' ' A' ' 21' ' ' ARG . . . 56.32 -138.84 45.23 Favored Glycine 0 CA--C 1.539 1.588 0 O-C-N 119.842 -1.786 . . . . 20.0 114.855 178.427 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 105' ' ' MET . . . . . 0.612 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 38.5 mtp -81.78 -0.29 42.5 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 115.725 1.75 . . . . 20.0 115.725 -178.435 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -64.6 -17.58 64.12 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-O 122.061 0.934 . . . . 20.0 112.256 171.793 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.47 -15.76 29.92 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 120.738 -1.226 . . . . 20.0 113.158 169.823 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 30.9 m-90 -110.53 111.49 22.77 Favored 'General case' 1 C--N 1.042 -12.768 0 C-N-CA 115.586 -2.446 . . . . 20.0 107.656 177.549 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 39.3 t -63.69 -40.75 90.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.178 -0.919 . . . . 20.0 113.234 -174.477 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.77 -33.68 76.16 Favored 'General case' 0 CA--C 1.546 0.809 0 O-C-N 119.711 -1.868 . . . . 20.0 112.856 175.061 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' TRP . . . . . 0.653 ' CH2' ' HG3' ' A' ' 116' ' ' LYS . 83.2 t90 -57.17 -51.09 70.7 Favored 'General case' 0 C--N 1.353 0.756 0 O-C-N 119.394 -2.066 . . . . 20.0 111.93 167.629 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 112' ' ' ARG . . . . . 0.417 ' HA ' ' HB2' ' A' ' 116' ' ' LYS . 7.3 ptt-85 -72.98 -28.75 62.58 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 115.975 -2.29 . . . . 20.0 115.1 -179.757 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -81.54 -22.25 37.99 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 117.862 2.541 . . . . 20.0 117.862 174.385 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 44.4 mtp180 -125.61 -19.14 5.04 Favored 'General case' 0 CA--C 1.496 -1.111 0 N-CA-C 116.056 1.873 . . . . 20.0 116.056 -172.817 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' CYS . . . . . 0.525 ' O ' ' C ' ' A' ' 116' ' ' LYS . 70.1 m -111.16 -66.51 1.07 Allowed 'General case' 0 CA--C 1.507 -0.676 0 N-CA-C 115.678 1.733 . . . . 20.0 115.678 -176.165 -58.463 -86.798 -90.653 102.131 2.033 113.683 -86.255 -176.452 2 2 . 1 . 001 ecloud build full ' A' A ' 116' ' ' LYS . . . . . 0.653 ' HG3' ' CH2' ' A' ' 111' ' ' TRP . 75.7 tttt -26.84 125.71 0.07 Allowed 'General case' 1 C--N 1.109 -9.858 2 CA-C-N 104.145 -5.934 . . . . 20.0 111.554 176.371 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 66.44 22.29 71.19 Favored Glycine 0 C--N 1.345 1.061 0 N-CA-C 115.964 1.146 . . . . 20.0 115.964 178.379 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 120' ' ' VAL . 15.7 p -108.72 173.17 6.44 Favored 'General case' 0 C--O 1.235 0.299 0 O-C-N 120.839 -1.389 . . . . 20.0 109.699 175.347 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 119' ' ' ASP . . . . . 0.54 ' OD1' ' HB3' ' A' ' 121' ' ' GLN . 28.6 t0 -78.64 73.71 5.19 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 125.351 3.705 . . . . 20.0 112.689 175.117 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 120' ' ' VAL . . . . . 0.493 ' N ' ' O ' ' A' ' 118' ' ' THR . 33.6 m -59.18 -14.21 5.01 Favored 'Isoleucine or valine' 1 C--N 1.514 7.735 3 CA-C-N 101.177 -7.283 . . . . 20.0 113.826 -177.539 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 121' ' ' GLN . . . . . 0.54 ' HB3' ' OD1' ' A' ' 119' ' ' ASP . 9.4 tt0 -60.88 -29.52 69.61 Favored 'General case' 0 CA--C 1.558 1.277 0 CA-C-O 125.089 2.376 . . . . 20.0 111.85 174.182 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.23 -31.77 69.36 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 118.18 -2.825 . . . . 20.0 114.192 176.458 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' TRP . . . . . 0.605 ' CH2' ' HG2' ' A' ' 33' ' ' LYS . 98.0 m95 -64.42 -23.84 67.42 Favored 'General case' 0 CA--C 1.557 1.24 0 O-C-N 118.972 -2.33 . . . . 20.0 116.702 177.326 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 45.6 pt -107.2 -3.41 10.08 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.697 0 O-C-N 118.986 -2.321 . . . . 20.0 111.84 173.292 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 4.1 ttm180 -35.69 -48.2 0.52 Allowed 'General case' 0 C--N 1.392 2.422 2 O-C-N 114.465 -5.147 . . . . 20.0 123.44 -177.273 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -102.4 7.96 54.57 Favored Glycine 0 N--CA 1.481 1.692 0 O-C-N 116.332 -3.98 . . . . 20.0 116.406 179.961 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' CYS . . . . . 0.408 ' HB3' ' HB3' ' A' ' 6' ' ' CYS . 6.8 m -78.61 141.02 38.36 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 120.022 3.342 . . . . 20.0 120.022 -170.297 -43.114 -55.954 -71.761 108.335 1.656 92.517 -71.997 -58.401 2 2 . 1 . 001 ecloud build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 35.9 mtp85 -81.35 108.64 15.13 Favored 'General case' 0 CA--C 1.496 -1.115 0 N-CA-C 106.994 -1.484 . . . . 20.0 106.994 170.961 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.296 -1.727 0 CA-C-O 117.211 -1.376 . . . . 20.0 107.514 179.706 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 55.8 tttp . . . . . 0 N--CA 1.482 1.148 0 N-CA-C 113.19 0.811 . . . . 20.0 113.19 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 51.0 t -98.6 113.36 33.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 106.788 -1.56 . . . . 20.0 106.788 176.715 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.4 ' HD2' ' HG2' ' A' ' 7' ' ' GLU . 32.6 m-85 -79.07 150.28 31.89 Favored 'General case' 0 N--CA 1.438 -1.068 0 CA-C-O 123.85 1.786 . . . . 20.0 113.375 -177.529 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.94 153.36 37.95 Favored Glycine 1 C--N 0.919 -22.631 1 O-C-N 116.051 -4.156 . . . . 20.0 108.088 166.116 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -49.02 -61.55 2.0 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 114.27 1.211 . . . . 20.0 114.27 179.739 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.408 ' HB3' ' HB3' ' A' ' 127' ' ' CYS . 69.8 m -71.6 -31.9 67.44 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 119.274 -2.142 . . . . 20.0 112.052 179.968 -58.401 -71.997 -71.761 92.517 1.656 108.335 -55.954 -43.114 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.4 ' HG2' ' HD2' ' A' ' 3' ' ' PHE . 70.5 tt0 -55.26 -45.45 76.09 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 119.467 -2.02 . . . . 20.0 113.2 171.619 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.459 ' CD2' ' CD1' ' A' ' 38' ' ' PHE . 39.5 tp -69.94 -43.89 70.68 Favored 'General case' 0 C--N 1.355 0.809 0 O-C-N 120.466 -1.396 . . . . 20.0 112.888 175.313 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -47.34 -47.62 25.77 Favored 'General case' 0 CA--C 1.557 1.246 0 CA-C-O 123.698 1.713 . . . . 20.0 114.188 171.133 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.23 -41.05 77.52 Favored 'General case' 0 CA--C 1.511 -0.542 0 O-C-N 119.948 -1.72 . . . . 20.0 110.17 178.613 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.67 -39.03 93.31 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 117.845 -3.034 . . . . 20.0 114.05 177.591 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' MET . . . . . 0.617 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 27.8 mtt -68.0 -40.17 83.1 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 114.476 1.287 . . . . 20.0 114.476 177.488 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.617 ' HG3' ' HB2' ' A' ' 18' ' ' ASP . 63.1 tttt -64.14 -47.82 78.43 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-O 122.551 1.167 . . . . 20.0 110.984 173.016 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.39 -35.66 39.89 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 123.03 1.395 . . . . 20.0 112.772 174.767 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.879 ' HB3' HG11 ' A' ' 92' ' ' VAL . 72.0 m80 -92.95 16.27 13.03 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 118.195 2.665 . . . . 20.0 118.195 177.003 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.24 10.83 77.02 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 117.123 1.609 . . . . 20.0 117.123 172.355 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.617 ' HB2' ' O ' ' A' ' 12' ' ' MET . 0.2 OUTLIER -80.98 -20.71 41.28 Favored 'General case' 1 C--N 1.585 10.816 3 O-C-N 142.404 11.297 . . . . 20.0 118.725 -177.011 . . . . . . . . 5 4 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.617 ' HB2' ' HG3' ' A' ' 13' ' ' LYS . 43.8 t0 -60.99 123.38 17.46 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-N 123.424 2.829 . . . . 20.0 109.103 177.671 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 55.81 23.79 6.76 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 120.091 3.367 . . . . 20.0 120.091 -170.878 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -66.31 123.99 21.48 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 107.925 -1.139 . . . . 20.0 107.925 173.002 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.445 ' NH1' ' CA ' ' A' ' 104' ' ' GLY . 6.1 ttp180 46.26 41.52 9.02 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 128.494 2.718 . . . . 20.0 112.119 -168.259 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.07 1.53 89.63 Favored Glycine 0 CA--C 1.523 0.554 0 O-C-N 119.15 -2.219 . . . . 20.0 115.349 177.148 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.612 ' CE2' ' HB2' ' A' ' 105' ' ' MET . 85.7 m-85 -98.94 92.95 5.76 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 120.86 2.33 . . . . 20.0 113.152 179.845 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 80.2 p -38.32 159.01 0.01 OUTLIER 'General case' 1 C--N 1.448 4.879 3 CA-C-N 103.203 -6.362 . . . . 20.0 113.447 174.82 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.9 tp -71.27 151.94 43.76 Favored 'General case' 0 C--O 1.268 2.045 1 N-CA-C 100.128 -4.026 . . . . 20.0 100.128 169.118 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.51 -59.71 0.35 Allowed Glycine 0 C--N 1.3 -1.465 2 N-CA-C 100.413 -5.075 . . . . 20.0 100.413 -166.6 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -63.95 -47.61 79.79 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-N 121.312 2.556 . . . . 20.0 113.44 176.071 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 100.0 m95 -65.84 -38.61 89.35 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-O 122.967 1.365 . . . . 20.0 113.573 178.474 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 79.2 t -73.95 -42.56 53.02 Favored 'Isoleucine or valine' 0 C--N 1.343 0.299 0 O-C-N 120.352 -1.468 . . . . 20.0 107.226 179.792 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 41.8 t -59.35 -43.53 92.78 Favored 'General case' 0 CA--C 1.56 1.335 0 O-C-N 119.884 -1.76 . . . . 20.0 111.539 173.81 -176.452 -86.255 -90.653 113.683 2.033 102.131 -86.798 -58.463 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.72 -53.29 58.47 Favored 'General case' 0 N--CA 1.45 -0.434 0 O-C-N 119.439 -2.038 . . . . 20.0 114.123 172.861 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.7 -43.52 90.06 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-O 123.863 1.792 . . . . 20.0 115.007 174.103 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.605 ' HG2' ' CH2' ' A' ' 123' ' ' TRP . 46.1 tptt -47.02 -61.11 2.03 Favored 'General case' 0 CA--C 1.512 -0.496 0 O-C-N 119.174 -2.204 . . . . 20.0 114.304 169.901 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -79.34 -19.35 50.5 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 115.394 1.627 . . . . 20.0 115.394 -176.541 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -78.45 -43.65 26.64 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 121.836 0.827 . . . . 20.0 113.096 177.875 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 91.3 p -137.69 -9.78 1.62 Allowed 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 115.129 1.529 . . . . 20.0 115.129 -171.386 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 68.01 38.26 2.79 Favored 'General case' 0 C--N 1.287 -2.119 0 CA-C-O 123.974 1.845 . . . . 20.0 111.683 -177.161 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.459 ' CD1' ' CD2' ' A' ' 8' ' ' LEU . 19.4 m-85 63.74 20.3 12.15 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 111.546 -2.57 . . . . 20.0 117.538 -178.013 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -106.81 115.99 31.15 Favored 'General case' 0 CA--C 1.495 -1.172 0 CA-C-O 124.196 1.951 . . . . 20.0 108.228 -177.578 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 25.3 p -62.91 -18.79 63.5 Favored 'General case' 1 C--N 1.528 8.331 2 CA-C-N 106.444 -4.889 . . . . 20.0 115.372 -179.262 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -97.33 -4.61 38.28 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 116.878 -1.534 . . . . 20.0 114.019 -179.639 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.31 135.09 57.54 Favored 'General case' 0 C--N 1.253 -3.588 0 CA-C-N 123.476 2.853 . . . . 20.0 112.793 -175.841 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' THR . . . . . 0.47 ' HA ' ' O ' ' A' ' 52' ' ' ASP . 38.0 p -129.53 143.42 50.82 Favored 'General case' 0 CA--C 1.495 -1.147 0 O-C-N 120.194 -1.566 . . . . 20.0 107.093 178.161 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.717 HD22 ' NE2' ' A' ' 57' ' ' GLN . 56.1 m-80 -138.9 128.84 25.11 Favored 'General case' 0 C--N 1.311 -1.088 0 O-C-N 118.8 -2.437 . . . . 20.0 112.216 173.347 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.609 ' HD3' ' OG1' ' A' ' 51' ' ' THR . 7.7 tpp85 -86.81 109.23 19.13 Favored 'General case' 0 CA--C 1.505 -0.782 0 CA-C-O 123.419 1.58 . . . . 20.0 112.805 178.61 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -62.2 163.84 7.73 Favored 'General case' 0 C--N 1.326 -0.422 1 O-C-N 108.745 -8.722 . . . . 20.0 113.645 173.669 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.9 t -70.34 -28.77 65.4 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 120.747 -1.221 . . . . 20.0 113.012 -179.524 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 54.9 p30 -71.78 3.82 3.82 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 119.88 -1.763 . . . . 20.0 115.722 173.716 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLY . . . . . 1.485 ' C ' ' CA ' ' A' ' 50' ' ' SER . . . 97.14 -33.22 5.94 Favored Glycine 0 CA--C 1.538 1.475 0 O-C-N 117.351 -3.343 . . . . 20.0 116.018 -175.26 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' SER . . . . . 1.485 ' CA ' ' C ' ' A' ' 49' ' ' GLY . 87.3 p -65.04 170.15 4.69 Favored 'General case' 1 C--N 0.736 -26.077 2 C-N-CA 106.785 -5.966 . . . . 20.0 115.132 175.173 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' THR . . . . . 0.609 ' OG1' ' HD3' ' A' ' 45' ' ' ARG . 32.5 m -132.29 143.17 49.7 Favored 'General case' 0 C--N 1.314 -0.963 0 O-C-N 118.314 -2.741 . . . . 20.0 108.689 -179.407 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.47 ' O ' ' HA ' ' A' ' 43' ' ' THR . 59.6 m-20 -99.63 136.98 38.75 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 123.083 1.42 . . . . 20.0 113.825 171.775 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.4 ' CE2' ' HB ' ' A' ' 51' ' ' THR . 91.3 m-85 -123.71 130.29 52.41 Favored 'General case' 0 C--O 1.246 0.918 0 N-CA-C 117.961 2.578 . . . . 20.0 117.961 -166.858 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 88.92 -171.8 39.55 Favored Glycine 1 C--N 1.111 -11.928 3 O-C-N 100.532 -13.855 . . . . 20.0 117.51 165.991 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.259 4.0 tp -49.25 -39.32 12.78 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.03 0 CA-C-O 124.639 2.162 . . . . 20.0 114.342 -178.447 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' LEU . . . . . 1.43 ' C ' ' N ' ' A' ' 57' ' ' GLN . 87.8 mt -109.44 21.69 16.72 Favored 'General case' 0 CA--C 1.548 0.883 0 O-C-N 118.816 -2.427 . . . . 20.0 114.218 177.331 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLN . . . . . 1.43 ' N ' ' C ' ' A' ' 56' ' ' LEU . 15.5 mm100 38.86 53.76 2.0 Allowed 'General case' 1 C--N 1.721 16.746 0 CA-C-O 125.201 2.429 . . . . 20.0 115.194 174.674 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 66.1 mt -77.85 129.78 37.03 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 CA-C-O 125.027 2.346 . . . . 20.0 110.267 179.169 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -80.7 134.17 35.81 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 110.965 -2.834 . . . . 20.0 117.989 -173.204 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 63.9 p -74.44 6.47 3.68 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 116.528 -1.701 . . . . 20.0 115.36 179.537 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -86.73 -36.57 18.58 Favored 'General case' 1 C--N 1.454 5.131 3 O-C-N 103.107 -12.246 . . . . 20.0 110.956 175.251 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 5.9 m-90 -111.89 -33.08 6.4 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 120.645 3.572 . . . . 20.0 120.645 177.462 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -108.25 -29.32 8.96 Favored 'General case' 0 CA--C 1.49 -1.327 0 N-CA-C 119.482 3.141 . . . . 20.0 119.482 -160.937 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 28.5 p -138.6 160.21 40.18 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-O 123.074 1.416 . . . . 20.0 113.978 178.718 61.334 84.393 94.762 102.432 1.925 104.465 -61.447 -61.409 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -95.86 119.33 34.17 Favored 'General case' 0 C--N 1.321 -0.665 0 O-C-N 119.305 -2.122 . . . . 20.0 114.402 176.344 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 58.5 p30 -113.65 6.96 17.13 Favored 'General case' 0 C--O 1.245 0.839 0 O-C-N 120.444 -1.41 . . . . 20.0 112.833 174.921 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.13 -8.34 2.03 Favored Glycine 0 C--O 1.219 -0.816 0 CA-C-O 118.335 -1.258 . . . . 20.0 114.351 -179.444 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.409 ' NH2' ' NE ' ' A' ' 45' ' ' ARG . 7.5 ptt180 -122.11 25.27 9.12 Favored 'General case' 0 N--CA 1.452 -0.345 1 CA-C-N 124.426 4.113 . . . . 20.0 115.392 175.769 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.9 m -121.17 93.74 48.82 Favored Pre-proline 0 C--O 1.246 0.883 0 CA-C-O 124.542 2.115 . . . . 20.0 109.041 175.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_exo -60.41 141.89 96.71 Favored 'Trans proline' 0 CA--C 1.549 1.249 0 N-CA-C 115.503 1.309 . . . . 20.0 115.503 -176.125 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 79.81 -14.91 16.91 Favored Glycine 0 CA--C 1.534 1.222 0 O-C-N 116.727 -3.733 . . . . 20.0 113.527 -177.08 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.0 t -50.4 140.53 13.47 Favored 'General case' 0 CA--C 1.559 1.293 0 CA-C-N 123.159 3.48 . . . . 20.0 119.381 173.339 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -91.88 -9.22 44.05 Favored 'General case' 0 N--CA 1.47 0.527 1 N-CA-C 122.371 4.212 . . . . 20.0 122.371 -178.642 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 34.2 t-20 39.25 50.03 1.86 Allowed 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 118.269 2.692 . . . . 20.0 118.269 -179.035 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 61.7 mt -66.09 -27.66 68.23 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 116.641 2.089 . . . . 20.0 116.641 -176.376 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' CYS . . . . . 1.293 ' SG ' ' SG ' ' A' ' 94' ' ' CYS . 87.0 m -82.09 3.24 27.68 Favored 'General case' 0 C--O 1.223 -0.303 0 O-C-N 119.953 -1.717 . . . . 20.0 114.37 172.881 -67.114 169.059 83.396 103.793 2.301 110.203 44.299 -163.163 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 45.23 58.27 4.23 Favored 'General case' 0 C--O 1.245 0.836 0 N-CA-C 118.088 2.625 . . . . 20.0 118.088 -176.699 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 3.0 tt -152.34 145.55 17.58 Favored Pre-proline 0 N--CA 1.43 -1.433 0 CA-C-N 111.496 -2.593 . . . . 20.0 114.283 -173.03 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -67.99 135.93 36.53 Favored 'Trans proline' 0 C--N 1.276 -3.258 0 C-N-CA 115.787 -2.342 . . . . 20.0 108.405 172.429 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.495 ' O ' ' HB2' ' A' ' 83' ' ' LEU . 74.7 m -51.88 -29.54 20.26 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 115.584 1.698 . . . . 20.0 115.584 177.043 -61.409 -61.447 94.762 104.465 1.925 102.432 84.393 61.334 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 59.7 p -65.66 -21.62 66.57 Favored 'General case' 0 C--O 1.21 -0.983 0 O-C-N 118.502 -2.624 . . . . 20.0 113.344 177.241 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.22 -28.11 69.45 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 119.3 -2.125 . . . . 20.0 113.028 173.045 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.495 ' HB2' ' O ' ' A' ' 80' ' ' CYS . 0.0 OUTLIER -69.35 -14.52 62.97 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 116.687 2.106 . . . . 20.0 116.687 174.97 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 48.0 mt -96.22 -12.55 24.44 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 115.166 1.543 . . . . 20.0 115.166 179.452 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 38.0 t -48.69 154.93 0.62 Allowed 'General case' 1 C--N 1.17 -7.215 0 N-CA-C 117.077 2.251 . . . . 20.0 117.077 176.881 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 87.8 p -73.46 -14.81 61.31 Favored 'General case' 0 C--O 1.238 0.483 0 O-C-N 120.077 -1.639 . . . . 20.0 114.083 174.76 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -88.6 117.41 27.53 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 120.344 -1.472 . . . . 20.0 108.13 169.612 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 32.6 pt -77.76 9.56 0.6 Allowed 'Isoleucine or valine' 1 C--N 1.536 8.687 0 C-N-CA 113.033 -3.467 . . . . 20.0 115.688 -177.314 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 86.8 m -53.75 -53.77 47.59 Favored 'General case' 1 C--N 1.153 -7.95 0 N-CA-C 118.41 2.744 . . . . 20.0 118.41 -176.836 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.15 -40.95 97.67 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 119.69 -1.881 . . . . 20.0 110.256 177.352 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.6 m -64.2 -39.97 95.1 Favored 'General case' 0 CA--C 1.505 -0.774 0 O-C-N 119.95 -1.719 . . . . 20.0 110.833 179.063 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.879 HG11 ' HB3' ' A' ' 15' ' ' HIS . 31.0 t -70.84 -41.4 77.3 Favored 'Isoleucine or valine' 0 C--O 1.248 1.026 0 CA-C-O 123.786 1.755 . . . . 20.0 109.847 -176.41 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 -66.23 -34.18 77.44 Favored 'General case' 0 C--O 1.237 0.407 0 O-C-N 119.141 -2.225 . . . . 20.0 113.457 177.158 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' CYS . . . . . 1.293 ' SG ' ' SG ' ' A' ' 76' ' ' CYS . 8.9 t -69.73 -40.29 76.31 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 122.869 1.318 . . . . 20.0 114.017 171.904 -163.163 44.299 83.396 110.203 2.301 103.793 169.059 -67.114 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.87 -38.27 85.04 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 119.643 -1.911 . . . . 20.0 112.416 179.067 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.702 ' NZ ' ' O ' ' A' ' 15' ' ' HIS . 89.1 mttt -56.65 -37.97 71.51 Favored 'General case' 0 C--N 1.359 1.017 0 O-C-N 124.243 0.965 . . . . 20.0 113.059 171.945 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -72.57 -41.23 65.92 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 122.892 1.329 . . . . 20.0 112.49 175.564 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 62.2 mt -64.52 -51.35 68.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 115.821 -2.038 . . . . 20.0 110.288 176.983 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . 0.344 0.0 OUTLIER -57.94 -28.1 32.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 CA-C-N 123.845 3.021 . . . . 20.0 114.106 178.446 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.0 m -76.73 -8.52 57.45 Favored 'General case' 0 C--N 1.349 0.552 0 N-CA-C 116.049 1.87 . . . . 20.0 116.049 177.346 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -70.02 -3.67 17.41 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 117.384 2.364 . . . . 20.0 117.384 -171.717 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 119.05 -41.35 2.02 Favored Glycine 0 C--N 1.263 -3.481 0 C-N-CA 114.159 -3.877 . . . . 20.0 111.469 -179.396 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -99.32 12.46 36.21 Favored 'General case' 0 C--O 1.224 -0.272 1 N-CA-C 122.708 4.336 . . . . 20.0 122.708 174.336 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.445 ' CA ' ' NH1' ' A' ' 21' ' ' ARG . . . 56.32 -138.84 45.23 Favored Glycine 0 CA--C 1.539 1.588 0 O-C-N 119.842 -1.786 . . . . 20.0 114.855 178.427 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' MET . . . . . 0.612 ' HB2' ' CE2' ' A' ' 23' ' ' TYR . 38.5 mtp -81.78 -0.29 42.5 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 115.725 1.75 . . . . 20.0 115.725 -178.435 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.744 HD21 ' NZ ' ' A' ' 116' ' ' LYS . 29.1 m120 -64.6 -17.58 64.12 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-O 122.061 0.934 . . . . 20.0 112.256 171.793 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.47 -15.76 29.92 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 120.738 -1.226 . . . . 20.0 113.158 169.823 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 30.9 m-90 -110.53 111.49 22.77 Favored 'General case' 1 C--N 1.042 -12.768 0 C-N-CA 115.586 -2.446 . . . . 20.0 107.656 177.549 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 39.3 t -63.69 -40.75 90.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.178 -0.919 . . . . 20.0 113.234 -174.477 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.77 -33.68 76.16 Favored 'General case' 0 CA--C 1.546 0.809 0 O-C-N 119.711 -1.868 . . . . 20.0 112.856 175.061 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.653 ' CH2' ' HG3' ' A' ' 116' ' ' LYS . 83.2 t90 -57.17 -51.09 70.7 Favored 'General case' 0 C--N 1.353 0.756 0 O-C-N 119.394 -2.066 . . . . 20.0 111.93 167.629 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.417 ' HA ' ' HB2' ' A' ' 116' ' ' LYS . 7.3 ptt-85 -72.98 -28.75 62.58 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 115.975 -2.29 . . . . 20.0 115.1 -179.757 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -81.54 -22.25 37.99 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 117.862 2.541 . . . . 20.0 117.862 174.385 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 44.4 mtp180 -125.61 -19.14 5.04 Favored 'General case' 0 CA--C 1.496 -1.111 0 N-CA-C 116.056 1.873 . . . . 20.0 116.056 -172.817 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.525 ' O ' ' C ' ' A' ' 116' ' ' LYS . 70.1 m -111.16 -66.51 1.07 Allowed 'General case' 0 CA--C 1.507 -0.676 0 N-CA-C 115.678 1.733 . . . . 20.0 115.678 -176.165 -58.463 -86.798 -90.653 102.131 2.033 113.683 -86.255 -176.452 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.744 ' NZ ' HD21 ' A' ' 106' ' ' ASN . 75.7 tttt -26.84 125.71 0.07 Allowed 'General case' 1 C--N 1.109 -9.858 2 CA-C-N 104.145 -5.934 . . . . 20.0 111.554 176.371 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 66.44 22.29 71.19 Favored Glycine 0 C--N 1.345 1.061 0 N-CA-C 115.964 1.146 . . . . 20.0 115.964 178.379 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 120' ' ' VAL . 15.7 p -108.72 173.17 6.44 Favored 'General case' 0 C--O 1.235 0.299 0 O-C-N 120.839 -1.389 . . . . 20.0 109.699 175.347 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.54 ' OD1' ' HB3' ' A' ' 121' ' ' GLN . 28.6 t0 -78.64 73.71 5.19 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 125.351 3.705 . . . . 20.0 112.689 175.117 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.493 ' N ' ' O ' ' A' ' 118' ' ' THR . 33.6 m -59.18 -14.21 5.01 Favored 'Isoleucine or valine' 1 C--N 1.514 7.735 3 CA-C-N 101.177 -7.283 . . . . 20.0 113.826 -177.539 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.54 ' HB3' ' OD1' ' A' ' 119' ' ' ASP . 9.4 tt0 -60.88 -29.52 69.61 Favored 'General case' 0 CA--C 1.558 1.277 0 CA-C-O 125.089 2.376 . . . . 20.0 111.85 174.182 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.23 -31.77 69.36 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 118.18 -2.825 . . . . 20.0 114.192 176.458 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' TRP . . . . . 0.605 ' CH2' ' HG2' ' A' ' 33' ' ' LYS . 98.0 m95 -64.42 -23.84 67.42 Favored 'General case' 0 CA--C 1.557 1.24 0 O-C-N 118.972 -2.33 . . . . 20.0 116.702 177.326 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 45.6 pt -107.2 -3.41 10.08 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.697 0 O-C-N 118.986 -2.321 . . . . 20.0 111.84 173.292 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 4.1 ttm180 -35.69 -48.2 0.52 Allowed 'General case' 0 C--N 1.392 2.422 2 O-C-N 114.465 -5.147 . . . . 20.0 123.44 -177.273 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -102.4 7.96 54.57 Favored Glycine 0 N--CA 1.481 1.692 0 O-C-N 116.332 -3.98 . . . . 20.0 116.406 179.961 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' CYS . . . . . 0.408 ' HB3' ' HB3' ' A' ' 6' ' ' CYS . 6.8 m -78.61 141.02 38.36 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 120.022 3.342 . . . . 20.0 120.022 -170.297 -43.114 -55.954 -71.761 108.335 1.656 92.517 -71.997 -58.401 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 35.9 mtp85 -81.35 108.64 15.13 Favored 'General case' 0 CA--C 1.496 -1.115 0 N-CA-C 106.994 -1.484 . . . . 20.0 106.994 170.961 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.296 -1.727 0 CA-C-O 117.211 -1.376 . . . . 20.0 107.514 179.706 . . . . . . . . 1 1 . 1 stop_ save_