data_1fan_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 1fan _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' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.284 0 N-CA-C 104.99 -2.226 . . . . 37.67 104.99 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -54.94 149.27 43.18 Favored 'Trans proline' 0 C--N 1.315 -1.23 0 O-C-N 126.125 2.645 . . . . 20.74 110.386 178.503 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.51 -31.7 71.71 Favored 'General case' 0 C--O 1.264 1.862 0 N-CA-C 114.243 1.201 . . . . 40.62 114.243 -178.627 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 12.1 p90 -69.5 -13.81 62.54 Favored 'General case' 0 C--O 1.248 1.014 0 O-C-N 123.314 0.384 . . . . 17.84 111.523 -179.381 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 73.0 m -67.94 -19.75 65.0 Favored 'General case' 0 N--CA 1.503 2.216 0 C-N-CA 120.029 -0.668 . . . . 10.78 110.504 177.58 -61.849 -78.621 -81.234 103.726 1.982 107.325 -65.382 -65.206 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 46.2 mt -89.94 -5.06 57.11 Favored 'General case' 0 C--N 1.311 -1.105 0 C-N-CA 125.682 1.593 . . . . 18.62 111.977 179.948 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -85.34 144.94 41.49 Favored Pre-proline 0 N--CA 1.484 1.265 0 C-N-CA 117.1 -1.84 . . . . 19.6 112.384 -179.528 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -64.71 160.4 40.6 Favored 'Trans proline' 0 C--O 1.249 1.06 0 C-N-CA 122.988 2.459 . . . . 16.07 108.099 178.125 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.79 149.54 60.51 Favored 'Trans proline' 0 N--CA 1.497 1.731 0 C-N-CA 121.759 1.639 . . . . 10.7 108.174 179.504 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -125.84 111.98 15.47 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 124.359 1.037 . . . . 19.27 110.039 -178.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.5 m -69.1 -46.87 66.64 Favored 'General case' 0 C--O 1.247 0.934 0 CA-C-N 113.251 -1.795 . . . . 13.28 108.841 179.952 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.45 175.73 48.63 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 106.734 -2.547 . . . . 9.89 106.734 176.828 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -81.11 -11.74 12.07 Favored 'Trans proline' 0 C--O 1.264 1.806 0 N-CA-C 118.445 2.44 . . . . 13.42 118.445 -177.063 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . 0.266 84.8 m -77.36 162.78 27.0 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-N 120.406 1.457 . . . . 11.91 110.87 179.627 -67.39 97.234 93.259 103.932 2.063 104.338 -120.086 70.942 2 2 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -103.51 14.06 32.1 Favored 'General case' 0 C--O 1.265 1.9 0 N-CA-C 118.179 2.659 . . . . 40.99 118.179 -174.162 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.87 173.42 12.15 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 126.539 3.066 . . . . 6.87 107.889 174.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -123.1 88.23 2.89 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 118.388 -2.695 . . . . 19.62 105.733 174.643 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 34.7 mt -115.56 122.62 69.76 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 N-CA-C 106.509 -1.663 . . . . 10.51 106.509 -179.193 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.2 mm -77.67 121.12 29.62 Favored 'Isoleucine or valine' 0 C--O 1.255 1.344 0 CA-C-N 114.334 -1.303 . . . . 15.79 110.707 177.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.0 mmt85 -127.07 173.51 9.62 Favored 'General case' 0 C--N 1.309 -1.154 0 C-N-CA 125.143 1.377 . . . . 14.63 109.565 177.983 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -115.87 143.96 44.69 Favored 'General case' 0 C--N 1.309 -1.156 0 O-C-N 124.88 1.363 . . . . 20.21 109.649 177.53 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.1 p90 -132.36 152.41 51.44 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 105.538 -2.023 . . . . 8.6 105.538 175.06 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -88.98 124.95 34.74 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 126.976 2.673 . . . . 11.56 106.519 178.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 -98.49 102.5 14.25 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 104.341 -2.466 . . . . 15.04 104.341 179.76 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.32 -31.43 63.71 Favored 'General case' 0 C--O 1.254 1.311 0 C-N-CA 126.988 2.115 . . . . 15.29 113.04 -177.071 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.1 mttp -74.5 -46.61 38.29 Favored 'General case' 0 C--O 1.26 1.608 0 O-C-N 124.868 1.355 . . . . 34.0 112.496 179.016 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.19 -25.58 39.62 Favored 'General case' 0 N--CA 1.484 1.232 0 O-C-N 124.605 1.19 . . . . 21.9 111.643 179.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 81.46 27.76 46.57 Favored Glycine 0 N--CA 1.473 1.138 0 O-C-N 121.239 -0.913 . . . . 15.91 113.677 179.469 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -153.36 166.12 33.63 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.148 -1.207 . . . . 25.75 109.839 179.357 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 66.4 m -88.65 125.96 35.08 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-N 112.027 -2.351 . . . . 15.89 108.738 -179.224 -72.616 -102.536 -81.988 106.176 1.982 105.223 -94.475 175.31 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -120.48 155.94 32.53 Favored 'General case' 0 C--N 1.308 -1.209 0 O-C-N 125.558 1.786 . . . . 12.57 109.697 179.512 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.8 p -78.23 154.22 31.23 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 127.087 3.327 . . . . 9.91 107.722 177.263 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -149.36 163.88 36.49 Favored 'General case' 0 C--O 1.243 0.746 0 N-CA-C 101.92 -3.363 . . . . 7.76 101.92 176.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 71.2 t -98.42 116.82 42.2 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 O-C-N 127.217 2.823 . . . . 12.72 106.237 -178.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -96.57 138.7 33.75 Favored 'General case' 0 C--O 1.272 2.242 0 N-CA-C 106.241 -1.762 . . . . 12.25 106.241 177.149 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -78.62 -9.8 86.74 Favored Glycine 0 N--CA 1.475 1.298 0 N-CA-C 119.621 2.608 . . . . 8.6 119.621 -179.568 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 112.67 -7.91 26.01 Favored Glycine 0 C--N 1.31 -0.908 1 O-C-N 116.037 -4.214 . . . . 9.27 115.139 175.129 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 18.8 p -152.63 157.43 40.97 Favored 'General case' 0 N--CA 1.482 1.136 0 O-C-N 126.517 1.951 . . . . 11.12 109.31 177.466 70.942 -120.086 93.259 104.338 2.063 103.932 97.234 -67.39 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 57.73 43.81 21.44 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 112.056 -2.338 . . . . 30.98 115.7 176.841 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . 0.287 . . -57.63 148.44 24.35 Favored 'General case' 0 C--O 1.25 1.126 0 O-C-N 126.3 2.25 . . . . 12.13 109.227 177.94 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -103.96 177.69 4.77 Favored 'General case' 0 C--O 1.256 1.441 0 N-CA-C 105.524 -2.028 . . . . 29.32 105.524 176.635 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 87.3 mtm180 -68.36 -31.68 71.23 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-O 115.92 -1.99 . . . . 25.13 115.038 -176.647 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -84.98 68.15 10.45 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-N 120.648 1.567 . . . . 7.21 108.025 -178.428 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 -154.61 109.49 3.06 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 114.007 -2.901 . . . . 8.66 108.222 -176.413 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.74 158.56 34.59 Favored 'General case' 0 C--O 1.254 1.337 0 O-C-N 127.636 3.085 . . . . 8.31 108.682 -179.536 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.3 mmtm -83.86 -19.73 34.36 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-O 117.056 -1.449 . . . . 33.27 112.397 -178.742 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 90.3 p -137.8 165.09 27.32 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 116.259 -1.829 . . . . 14.12 106.934 -179.905 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.33 -33.92 76.25 Favored 'General case' 0 C--N 1.315 -0.894 0 O-C-N 126.553 2.408 . . . . 15.36 110.751 178.223 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -65.54 -47.06 77.16 Favored 'General case' 0 C--O 1.26 1.638 0 CA-C-N 113.874 -1.512 . . . . 40.91 112.403 -178.849 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -60.29 -45.67 92.54 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 108.122 -1.066 . . . . 27.98 108.122 176.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 39.5 t -59.49 -48.01 83.31 Favored 'General case' 0 C--O 1.258 1.528 0 CA-C-N 114.232 -1.349 . . . . 10.59 110.53 177.839 175.31 -94.475 -81.988 105.223 1.982 106.176 -102.536 -72.616 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' MET . . . . . 0.466 ' O ' ' N ' ' A' ' 57' ' ' GLY . 75.2 mmm -64.96 -41.82 95.14 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-N 119.082 0.855 . . . . 23.5 111.988 -178.344 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 -60.68 -41.06 94.37 Favored 'General case' 0 C--N 1.316 -0.875 0 O-C-N 120.064 -1.647 . . . . 33.77 111.807 178.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 54.2 m -71.27 -50.98 27.15 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.685 -0.689 . . . . 20.45 112.246 -178.764 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 95.8 m -112.62 -16.75 12.76 Favored 'General case' 0 C--O 1.277 2.538 1 N-CA-C 123.061 4.467 . . . . 16.33 123.061 -175.471 -65.206 -65.382 -81.234 107.325 1.982 103.726 -78.621 -61.849 2 2 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -120.85 -17.09 4.28 Favored Glycine 0 N--CA 1.489 2.192 0 C-N-CA 116.72 -2.657 . . . . 30.76 112.229 -175.328 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 52' ' ' MET . . . -54.67 129.62 44.78 Favored Glycine 0 N--CA 1.474 1.174 0 O-C-N 129.773 3.867 . . . . 43.82 109.375 -178.912 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.291 -1.951 0 N-CA-C 102.926 -2.991 . . . . 42.87 102.926 -179.193 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' 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 ' 129' ' ' 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 ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 400' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 401' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 402' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 403' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 404' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 405' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 406' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 407' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 408' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 409' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 410' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 411' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 412' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 413' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 414' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 415' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 416' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 417' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 418' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 419' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 420' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ARG . . . . . 0.507 ' HB2' ' HD2' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.284 0 N-CA-C 104.99 -2.226 . . . . 37.67 104.99 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 2' ' ' PRO . . . . . 0.507 ' HD2' ' HB2' ' A' ' 1' ' ' ARG . 3.7 Cg_exo -54.94 149.27 43.18 Favored 'Trans proline' 0 C--N 1.315 -1.23 0 O-C-N 126.125 2.645 . . . . 20.74 110.386 178.503 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.51 -31.7 71.71 Favored 'General case' 0 C--O 1.264 1.862 0 N-CA-C 114.243 1.201 . . . . 40.62 114.243 -178.627 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 12.1 p90 -69.5 -13.81 62.54 Favored 'General case' 0 C--O 1.248 1.014 0 O-C-N 123.314 0.384 . . . . 17.84 111.523 -179.381 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 73.0 m -67.94 -19.75 65.0 Favored 'General case' 0 N--CA 1.503 2.216 0 C-N-CA 120.029 -0.668 . . . . 10.78 110.504 177.58 -61.849 -78.621 -81.234 103.726 1.982 107.325 -65.382 -65.206 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 46.2 mt -89.94 -5.06 57.11 Favored 'General case' 0 C--N 1.311 -1.105 0 C-N-CA 125.682 1.593 . . . . 18.62 111.977 179.948 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -85.34 144.94 41.49 Favored Pre-proline 0 N--CA 1.484 1.265 0 C-N-CA 117.1 -1.84 . . . . 25.01 112.384 -179.528 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -64.71 160.4 40.6 Favored 'Trans proline' 0 C--O 1.249 1.06 0 C-N-CA 122.988 2.459 . . . . 16.07 108.099 178.125 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.79 149.54 60.51 Favored 'Trans proline' 0 N--CA 1.497 1.731 0 C-N-CA 121.759 1.639 . . . . 10.7 108.174 179.504 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -125.84 111.98 15.47 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 124.359 1.037 . . . . 19.27 110.039 -178.744 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.5 m -69.1 -46.87 66.64 Favored 'General case' 0 C--O 1.247 0.934 0 CA-C-N 113.251 -1.795 . . . . 13.28 108.841 179.952 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.45 175.73 48.63 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 106.734 -2.547 . . . . 9.89 106.734 176.828 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -81.11 -11.74 12.07 Favored 'Trans proline' 0 C--O 1.264 1.806 0 N-CA-C 118.445 2.44 . . . . 13.42 118.445 -177.063 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . 0.266 84.8 m -77.36 162.78 27.0 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-N 120.406 1.457 . . . . 11.91 110.87 179.627 -67.39 97.234 93.259 103.932 2.063 104.338 -120.086 70.942 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -103.51 14.06 32.1 Favored 'General case' 0 C--O 1.265 1.9 0 N-CA-C 118.179 2.659 . . . . 40.99 118.179 -174.162 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.87 173.42 12.15 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 126.539 3.066 . . . . 6.87 107.889 174.796 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -123.1 88.23 2.89 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 118.388 -2.695 . . . . 19.62 105.733 174.643 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 34.7 mt -115.56 122.62 69.76 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 N-CA-C 106.509 -1.663 . . . . 10.51 106.509 -179.193 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.2 mm -77.67 121.12 29.62 Favored 'Isoleucine or valine' 0 C--O 1.255 1.344 0 CA-C-N 114.334 -1.303 . . . . 15.79 110.707 177.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.0 mmt85 -127.07 173.51 9.62 Favored 'General case' 0 C--N 1.309 -1.154 0 C-N-CA 125.143 1.377 . . . . 14.63 109.565 177.983 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -115.87 143.96 44.69 Favored 'General case' 0 C--N 1.309 -1.156 0 O-C-N 124.88 1.363 . . . . 20.21 109.649 177.53 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.1 p90 -132.36 152.41 51.44 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 105.538 -2.023 . . . . 8.6 105.538 175.06 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -88.98 124.95 34.74 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 126.976 2.673 . . . . 11.56 106.519 178.877 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 -98.49 102.5 14.25 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 104.341 -2.466 . . . . 15.04 104.341 179.76 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.32 -31.43 63.71 Favored 'General case' 0 C--O 1.254 1.311 0 C-N-CA 126.988 2.115 . . . . 15.29 113.04 -177.071 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.1 mttp -74.5 -46.61 38.29 Favored 'General case' 0 C--O 1.26 1.608 0 O-C-N 124.868 1.355 . . . . 34.0 112.496 179.016 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.19 -25.58 39.62 Favored 'General case' 0 N--CA 1.484 1.232 0 O-C-N 124.605 1.19 . . . . 21.9 111.643 179.885 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 81.46 27.76 46.57 Favored Glycine 0 N--CA 1.473 1.138 0 O-C-N 121.239 -0.913 . . . . 15.91 113.677 179.469 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -153.36 166.12 33.63 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.148 -1.207 . . . . 25.75 109.839 179.357 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 66.4 m -88.65 125.96 35.08 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-N 112.027 -2.351 . . . . 15.89 108.738 -179.224 -72.616 -102.536 -81.988 106.176 1.982 105.223 -94.475 175.31 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -120.48 155.94 32.53 Favored 'General case' 0 C--N 1.308 -1.209 0 O-C-N 125.558 1.786 . . . . 12.57 109.697 179.512 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.8 p -78.23 154.22 31.23 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 127.087 3.327 . . . . 9.91 107.722 177.263 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -149.36 163.88 36.49 Favored 'General case' 0 C--O 1.243 0.746 0 N-CA-C 101.92 -3.363 . . . . 7.76 101.92 176.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 71.2 t -98.42 116.82 42.2 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 O-C-N 127.217 2.823 . . . . 12.72 106.237 -178.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -96.57 138.7 33.75 Favored 'General case' 0 C--O 1.272 2.242 0 N-CA-C 106.241 -1.762 . . . . 12.25 106.241 177.149 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -78.62 -9.8 86.74 Favored Glycine 0 N--CA 1.475 1.298 0 N-CA-C 119.621 2.608 . . . . 8.6 119.621 -179.568 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 112.67 -7.91 26.01 Favored Glycine 0 C--N 1.31 -0.908 1 O-C-N 116.037 -4.214 . . . . 9.27 115.139 175.129 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 18.8 p -152.63 157.43 40.97 Favored 'General case' 0 N--CA 1.482 1.136 0 O-C-N 126.517 1.951 . . . . 11.12 109.31 177.466 70.942 -120.086 93.259 104.338 2.063 103.932 97.234 -67.39 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 57.73 43.81 21.44 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 112.056 -2.338 . . . . 30.98 115.7 176.841 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . 0.287 . . -57.63 148.44 24.35 Favored 'General case' 0 C--O 1.25 1.126 0 O-C-N 126.3 2.25 . . . . 12.13 109.227 177.94 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -103.96 177.69 4.77 Favored 'General case' 0 C--O 1.256 1.441 0 N-CA-C 105.524 -2.028 . . . . 29.32 105.524 176.635 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 87.3 mtm180 -68.36 -31.68 71.23 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-O 115.92 -1.99 . . . . 25.13 115.038 -176.647 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -84.98 68.15 10.45 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-N 120.648 1.567 . . . . 7.21 108.025 -178.428 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 -154.61 109.49 3.06 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 114.007 -2.901 . . . . 8.66 108.222 -176.413 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.74 158.56 34.59 Favored 'General case' 0 C--O 1.254 1.337 0 O-C-N 127.636 3.085 . . . . 8.31 108.682 -179.536 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.3 mmtm -83.86 -19.73 34.36 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-O 117.056 -1.449 . . . . 33.27 112.397 -178.742 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 90.3 p -137.8 165.09 27.32 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 116.259 -1.829 . . . . 14.12 106.934 -179.905 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.33 -33.92 76.25 Favored 'General case' 0 C--N 1.315 -0.894 0 O-C-N 126.553 2.408 . . . . 15.36 110.751 178.223 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -65.54 -47.06 77.16 Favored 'General case' 0 C--O 1.26 1.638 0 CA-C-N 113.874 -1.512 . . . . 40.91 112.403 -178.849 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -60.29 -45.67 92.54 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 108.122 -1.066 . . . . 27.98 108.122 176.868 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 39.5 t -59.49 -48.01 83.31 Favored 'General case' 0 C--O 1.258 1.528 0 CA-C-N 114.232 -1.349 . . . . 10.59 110.53 177.839 175.31 -94.475 -81.988 105.223 1.982 106.176 -102.536 -72.616 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' MET . . . . . 0.427 ' O ' ' N ' ' A' ' 57' ' ' GLY . 75.2 mmm -64.96 -41.82 95.14 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-N 119.082 0.855 . . . . 23.5 111.988 -178.344 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 -60.68 -41.06 94.37 Favored 'General case' 0 C--N 1.316 -0.875 0 O-C-N 120.064 -1.647 . . . . 33.77 111.807 178.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 54.2 m -71.27 -50.98 27.15 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.685 -0.689 . . . . 20.45 112.246 -178.764 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 95.8 m -112.62 -16.75 12.76 Favored 'General case' 0 C--O 1.277 2.538 1 N-CA-C 123.061 4.467 . . . . 16.33 123.061 -175.471 -65.206 -65.382 -81.234 107.325 1.982 103.726 -78.621 -61.849 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' GLY . . . . . 0.415 ' HA2' HH21 ' A' ' 1' ' ' ARG . . . -120.85 -17.09 4.28 Favored Glycine 0 N--CA 1.489 2.192 0 C-N-CA 116.72 -2.657 . . . . 30.76 112.229 -175.328 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 52' ' ' MET . . . -54.67 129.62 44.78 Favored Glycine 0 N--CA 1.474 1.174 0 O-C-N 129.773 3.867 . . . . 43.82 109.375 -178.912 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.291 -1.951 0 N-CA-C 102.926 -2.991 . . . . 42.87 102.926 -179.193 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 122' ' ' 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 ' 129' ' ' 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 ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 400' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 401' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 402' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 403' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 404' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 405' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 406' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 407' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 408' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 409' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 410' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 411' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 412' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 413' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 414' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 415' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 416' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 417' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 418' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 419' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 420' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.507 ' HB2' ' HD2' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.284 0 N-CA-C 104.99 -2.226 . . . . 37.67 104.99 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.507 ' HD2' ' HB2' ' A' ' 1' ' ' ARG . 3.7 Cg_exo -54.94 149.27 43.18 Favored 'Trans proline' 0 C--N 1.315 -1.23 0 O-C-N 126.125 2.645 . . . . 20.74 110.386 178.503 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.51 -31.7 71.71 Favored 'General case' 0 C--O 1.264 1.862 0 N-CA-C 114.243 1.201 . . . . 40.62 114.243 -178.627 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 12.1 p90 -69.5 -13.81 62.54 Favored 'General case' 0 C--O 1.248 1.014 0 O-C-N 123.314 0.384 . . . . 17.84 111.523 -179.381 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 73.0 m -67.94 -19.75 65.0 Favored 'General case' 0 N--CA 1.503 2.216 0 C-N-CA 120.029 -0.668 . . . . 10.78 110.504 177.58 -61.849 -78.621 -81.234 103.726 1.982 107.325 -65.382 -65.206 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 46.2 mt -89.94 -5.06 57.11 Favored 'General case' 0 C--N 1.311 -1.105 0 C-N-CA 125.682 1.593 . . . . 18.62 111.977 179.948 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -85.34 144.94 41.49 Favored Pre-proline 0 N--CA 1.484 1.265 0 C-N-CA 117.1 -1.84 . . . . 25.01 112.384 -179.528 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -64.71 160.4 40.6 Favored 'Trans proline' 0 C--O 1.249 1.06 0 C-N-CA 122.988 2.459 . . . . 16.07 108.099 178.125 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.79 149.54 60.51 Favored 'Trans proline' 0 N--CA 1.497 1.731 0 C-N-CA 121.759 1.639 . . . . 10.7 108.174 179.504 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -125.84 111.98 15.47 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 124.359 1.037 . . . . 19.27 110.039 -178.744 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.5 m -69.1 -46.87 66.64 Favored 'General case' 0 C--O 1.247 0.934 0 CA-C-N 113.251 -1.795 . . . . 13.28 108.841 179.952 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.45 175.73 48.63 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 106.734 -2.547 . . . . 9.89 106.734 176.828 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -81.11 -11.74 12.07 Favored 'Trans proline' 0 C--O 1.264 1.806 0 N-CA-C 118.445 2.44 . . . . 13.42 118.445 -177.063 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . 0.266 84.8 m -77.36 162.78 27.0 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-N 120.406 1.457 . . . . 11.91 110.87 179.627 -67.39 97.234 93.259 103.932 2.063 104.338 -120.086 70.942 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -103.51 14.06 32.1 Favored 'General case' 0 C--O 1.265 1.9 0 N-CA-C 118.179 2.659 . . . . 40.99 118.179 -174.162 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.87 173.42 12.15 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 126.539 3.066 . . . . 6.87 107.889 174.796 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -123.1 88.23 2.89 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 118.388 -2.695 . . . . 19.62 105.733 174.643 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 34.7 mt -115.56 122.62 69.76 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 N-CA-C 106.509 -1.663 . . . . 10.51 106.509 -179.193 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.2 mm -77.67 121.12 29.62 Favored 'Isoleucine or valine' 0 C--O 1.255 1.344 0 CA-C-N 114.334 -1.303 . . . . 15.79 110.707 177.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.0 mmt85 -127.07 173.51 9.62 Favored 'General case' 0 C--N 1.309 -1.154 0 C-N-CA 125.143 1.377 . . . . 14.63 109.565 177.983 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -115.87 143.96 44.69 Favored 'General case' 0 C--N 1.309 -1.156 0 O-C-N 124.88 1.363 . . . . 20.21 109.649 177.53 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.1 p90 -132.36 152.41 51.44 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 105.538 -2.023 . . . . 8.6 105.538 175.06 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -88.98 124.95 34.74 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 126.976 2.673 . . . . 11.56 106.519 178.877 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 -98.49 102.5 14.25 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 104.341 -2.466 . . . . 15.04 104.341 179.76 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.32 -31.43 63.71 Favored 'General case' 0 C--O 1.254 1.311 0 C-N-CA 126.988 2.115 . . . . 15.29 113.04 -177.071 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.1 mttp -74.5 -46.61 38.29 Favored 'General case' 0 C--O 1.26 1.608 0 O-C-N 124.868 1.355 . . . . 34.0 112.496 179.016 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.19 -25.58 39.62 Favored 'General case' 0 N--CA 1.484 1.232 0 O-C-N 124.605 1.19 . . . . 21.9 111.643 179.885 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 81.46 27.76 46.57 Favored Glycine 0 N--CA 1.473 1.138 0 O-C-N 121.239 -0.913 . . . . 15.91 113.677 179.469 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -153.36 166.12 33.63 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.148 -1.207 . . . . 25.75 109.839 179.357 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 66.4 m -88.65 125.96 35.08 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-N 112.027 -2.351 . . . . 15.89 108.738 -179.224 -72.616 -102.536 -81.988 106.176 1.982 105.223 -94.475 175.31 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -120.48 155.94 32.53 Favored 'General case' 0 C--N 1.308 -1.209 0 O-C-N 125.558 1.786 . . . . 12.57 109.697 179.512 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.8 p -78.23 154.22 31.23 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 127.087 3.327 . . . . 9.91 107.722 177.263 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -149.36 163.88 36.49 Favored 'General case' 0 C--O 1.243 0.746 0 N-CA-C 101.92 -3.363 . . . . 7.76 101.92 176.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 71.2 t -98.42 116.82 42.2 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 O-C-N 127.217 2.823 . . . . 12.72 106.237 -178.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -96.57 138.7 33.75 Favored 'General case' 0 C--O 1.272 2.242 0 N-CA-C 106.241 -1.762 . . . . 12.25 106.241 177.149 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -78.62 -9.8 86.74 Favored Glycine 0 N--CA 1.475 1.298 0 N-CA-C 119.621 2.608 . . . . 8.6 119.621 -179.568 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 112.67 -7.91 26.01 Favored Glycine 0 C--N 1.31 -0.908 1 O-C-N 116.037 -4.214 . . . . 9.27 115.139 175.129 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 18.8 p -152.63 157.43 40.97 Favored 'General case' 0 N--CA 1.482 1.136 0 O-C-N 126.517 1.951 . . . . 11.12 109.31 177.466 70.942 -120.086 93.259 104.338 2.063 103.932 97.234 -67.39 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 57.73 43.81 21.44 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 112.056 -2.338 . . . . 30.98 115.7 176.841 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . 0.287 . . -57.63 148.44 24.35 Favored 'General case' 0 C--O 1.25 1.126 0 O-C-N 126.3 2.25 . . . . 12.13 109.227 177.94 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -103.96 177.69 4.77 Favored 'General case' 0 C--O 1.256 1.441 0 N-CA-C 105.524 -2.028 . . . . 29.32 105.524 176.635 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 87.3 mtm180 -68.36 -31.68 71.23 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-O 115.92 -1.99 . . . . 25.13 115.038 -176.647 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -84.98 68.15 10.45 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-N 120.648 1.567 . . . . 7.21 108.025 -178.428 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 -154.61 109.49 3.06 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 114.007 -2.901 . . . . 8.66 108.222 -176.413 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.74 158.56 34.59 Favored 'General case' 0 C--O 1.254 1.337 0 O-C-N 127.636 3.085 . . . . 8.31 108.682 -179.536 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.3 mmtm -83.86 -19.73 34.36 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-O 117.056 -1.449 . . . . 33.27 112.397 -178.742 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 90.3 p -137.8 165.09 27.32 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 116.259 -1.829 . . . . 14.12 106.934 -179.905 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.33 -33.92 76.25 Favored 'General case' 0 C--N 1.315 -0.894 0 O-C-N 126.553 2.408 . . . . 15.36 110.751 178.223 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -65.54 -47.06 77.16 Favored 'General case' 0 C--O 1.26 1.638 0 CA-C-N 113.874 -1.512 . . . . 40.91 112.403 -178.849 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -60.29 -45.67 92.54 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 108.122 -1.066 . . . . 27.98 108.122 176.868 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 39.5 t -59.49 -48.01 83.31 Favored 'General case' 0 C--O 1.258 1.528 0 CA-C-N 114.232 -1.349 . . . . 10.59 110.53 177.839 175.31 -94.475 -81.988 105.223 1.982 106.176 -102.536 -72.616 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' MET . . . . . 0.427 ' O ' ' N ' ' A' ' 57' ' ' GLY . 75.2 mmm -64.96 -41.82 95.14 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-N 119.082 0.855 . . . . 23.5 111.988 -178.344 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 -60.68 -41.06 94.37 Favored 'General case' 0 C--N 1.316 -0.875 0 O-C-N 120.064 -1.647 . . . . 33.77 111.807 178.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 54.2 m -71.27 -50.98 27.15 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.685 -0.689 . . . . 20.45 112.246 -178.764 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 95.8 m -112.62 -16.75 12.76 Favored 'General case' 0 C--O 1.277 2.538 1 N-CA-C 123.061 4.467 . . . . 16.33 123.061 -175.471 -65.206 -65.382 -81.234 107.325 1.982 103.726 -78.621 -61.849 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.415 ' HA2' HH21 ' A' ' 1' ' ' ARG . . . -120.85 -17.09 4.28 Favored Glycine 0 N--CA 1.489 2.192 0 C-N-CA 116.72 -2.657 . . . . 30.76 112.229 -175.328 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 52' ' ' MET . . . -54.67 129.62 44.78 Favored Glycine 0 N--CA 1.474 1.174 0 O-C-N 129.773 3.867 . . . . 43.82 109.375 -178.912 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.291 -1.951 0 N-CA-C 102.926 -2.991 . . . . 42.87 102.926 -179.193 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' 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 ' 129' ' ' 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 ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 400' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 401' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 402' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 403' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 404' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 405' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 406' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 407' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 408' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 409' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 410' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 411' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 412' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 413' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 414' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 415' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 416' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 417' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 418' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 419' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 420' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_