data_6a2h_residue ############################ # Computer software used # ############################ 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 6a2h _Structure_validation_residue.Date_analyzed 2019-01-11 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 ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 1.831 0 N-CA-C 111.416 -0.673 . . . . 66.24 111.416 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.8 ptmm? -119.87 -60.44 1.71 Allowed 'General case' 0 C--O 1.237 0.416 0 N-CA-C 114.127 1.158 . . . . 69.3 114.127 -161.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -90.29 136.89 28.03 Favored Pre-proline 0 CA--C 1.537 0.454 0 C-N-CA 129.516 3.126 . . . . 65.68 111.099 -167.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -65.17 149.65 88.59 Favored 'Trans proline' 0 C--N 1.331 -0.392 0 N-CA-C 116.427 1.664 . . . . 59.61 116.427 -176.364 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.5 t -122.62 142.34 39.5 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 CA-C-N 114.885 -1.052 . . . . 50.05 111.289 -179.628 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -84.89 119.27 25.16 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 103.837 -2.653 . . . . 66.02 103.837 177.802 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.9 m -134.2 158.87 42.29 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.64 0 CA-C-N 115.507 -0.769 . . . . 49.96 112.729 -177.551 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.2 tptt -100.91 109.88 21.88 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 107.873 -1.158 . . . . 60.62 107.873 177.07 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.1 p -73.06 158.52 86.95 Favored Pre-proline 0 C--N 1.326 -0.431 0 C-N-CA 119.817 -0.753 . . . . 46.91 110.671 -176.307 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -56.2 -41.24 78.73 Favored 'Trans proline' 0 C--O 1.24 0.605 0 O-C-N 121.827 0.383 . . . . 52.51 112.81 174.159 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.8 -25.72 2.0 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 113.075 0.768 . . . . 60.51 113.075 175.678 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 121.84 -19.98 8.26 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-O 119.174 -0.792 . . . . 55.48 114.787 -176.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.69 149.32 24.32 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 119.027 1.414 . . . . 51.56 113.746 -165.488 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -74.35 144.2 44.55 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.133 -1.062 . . . . 70.28 108.133 162.903 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -165.04 146.19 7.55 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 119.416 -0.914 . . . . 49.89 111.26 -172.36 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -105.28 97.03 6.93 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 107.03 -1.47 . . . . 74.21 107.03 -179.811 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.5 mt -118.93 157.85 26.88 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 121.73 0.776 . . . . 50.14 109.479 -176.575 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.7 t -102.41 122.69 45.6 Favored Pre-proline 0 C--O 1.245 0.818 0 N-CA-C 107.769 -1.197 . . . . 63.05 107.769 177.716 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -68.11 145.65 67.72 Favored 'Trans proline' 0 C--N 1.326 -0.64 0 C-N-CA 120.521 0.814 . . . . 52.09 111.071 -175.088 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.72 -47.98 67.81 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.484 -0.886 . . . . 54.47 110.86 170.512 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.4 mttt -140.04 144.89 37.11 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 108.374 -0.973 . . . . 56.65 108.374 178.427 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.2 m -127.33 151.06 33.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 N-CA-C 108.74 -0.837 . . . . 36.28 108.74 175.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 36.1 p90 -166.74 162.51 16.25 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 108.88 -0.785 . . . . 33.12 108.88 -179.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.71 136.49 33.03 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 114.665 -1.152 . . . . 27.98 109.391 177.498 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.1 tp -120.6 88.68 2.98 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 105.461 -2.052 . . . . 29.25 105.461 -177.278 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.04 134.15 18.89 Favored Pre-proline 0 N--CA 1.441 -0.894 0 C-N-CA 116.566 -2.054 . . . . 24.6 110.417 -177.828 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -75.29 160.6 39.03 Favored 'Trans proline' 0 C--N 1.319 -1.023 0 C-N-CA 120.655 0.904 . . . . 28.18 110.674 170.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.7 mttt -58.99 136.85 58.07 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 114.919 -1.037 . . . . 35.06 109.836 170.05 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.72 -6.98 83.11 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 116.516 1.366 . . . . 37.88 116.516 179.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ARG . . . . . 0.604 ' NH1' ' O2 ' ' B' ' 107' ' ' ' DT' . 13.5 mtm180 -137.51 155.83 48.82 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 119.514 1.657 . . . . 39.56 109.996 -170.719 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -70.59 -36.99 73.86 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 119.146 -1.022 . . . . 61.13 112.17 -179.322 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 61.23 -166.17 14.89 Favored Glycine 0 CA--C 1.544 1.846 0 C-N-CA 119.569 -1.3 . . . . 29.56 112.508 -173.871 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.0 m -133.43 171.87 17.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-O 121.473 0.654 . . . . 30.47 109.295 -175.131 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -103.2 140.22 37.65 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 108.537 -0.912 . . . . 48.33 108.537 168.779 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.4 mm -124.07 140.42 47.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 N-CA-C 109.044 -0.725 . . . . 29.93 109.044 -172.178 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -115.39 140.38 16.22 Favored Glycine 0 N--CA 1.461 0.334 0 N-CA-C 111.774 -0.53 . . . . 37.79 111.774 172.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 44.8 tp -89.55 130.02 35.93 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.895 -0.779 . . . . 42.81 108.895 166.859 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -133.52 153.5 51.59 Favored 'General case' 0 C--N 1.344 0.358 0 C-N-CA 122.727 0.411 . . . . 43.48 110.175 -178.513 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.9 ttmt -107.91 123.98 49.43 Favored 'General case' 0 C--O 1.241 0.641 0 N-CA-C 108.311 -0.996 . . . . 56.79 108.311 171.761 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -68.21 118.48 59.48 Favored Pre-proline 0 C--O 1.243 0.736 0 N-CA-C 108.444 -0.947 . . . . 50.77 108.444 178.146 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -65.79 -27.64 51.78 Favored 'Trans proline' 0 N--CA 1.473 0.321 0 CA-C-N 119.316 0.791 . . . . 50.56 113.249 174.299 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -61.69 -33.87 74.75 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 119.345 0.975 . . . . 54.16 112.231 176.793 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 71.9 p -132.91 -5.36 3.14 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 115.196 1.554 . . . . 53.44 115.196 -169.589 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.83 2.77 24.97 Favored Glycine 0 N--CA 1.447 -0.632 0 N-CA-C 116.084 1.193 . . . . 47.5 116.084 -167.542 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.2 mmmt -79.55 152.32 30.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 119.95 1.875 . . . . 57.79 110.645 -178.524 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -89.46 144.93 25.66 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.259 -0.882 . . . . 51.67 110.66 175.471 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 26.8 p90 -154.02 160.61 42.09 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.452 -0.944 . . . . 39.94 108.452 176.117 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 57.0 mtt85 -115.57 148.39 39.62 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.99 -1.005 . . . . 39.32 109.047 -177.353 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 66.2 t-80 -151.1 141.86 22.78 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 119.484 -0.887 . . . . 35.87 108.735 -172.38 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.9 tttp -62.01 143.57 56.36 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.425 -0.51 . . . . 39.28 110.768 177.642 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.7 mt -103.4 163.36 17.62 Favored Pre-proline 0 C--N 1.316 -0.864 0 C-N-CA 118.72 -1.192 . . . . 38.34 110.185 170.763 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -64.56 150.05 88.87 Favored 'Trans proline' 0 C--O 1.232 0.215 0 N-CA-C 109.557 -0.978 . . . . 45.49 109.557 177.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -58.83 -13.26 5.72 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 119.358 -0.937 . . . . 48.35 113.494 -172.086 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 36.1 p30 -112.05 10.24 20.4 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 119.468 1.031 . . . . 60.98 113.223 177.023 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -54.96 132.65 67.54 Favored Pre-proline 0 C--N 1.324 -0.509 0 C-N-CA 118.77 -1.172 . . . . 56.02 109.207 171.99 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -75.7 121.92 6.58 Favored 'Trans proline' 0 C--N 1.326 -0.621 0 C-N-CA 120.898 1.065 . . . . 51.99 111.853 -178.346 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 15.8 mm . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 112.355 0.502 . . . . 60.29 112.355 175.575 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.466 ' O6 ' ' N4 ' ' C' ' 119' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.546 2.835 0 OP1-P-OP2 123.598 2.665 . . . . 48.86 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' ' DT' . . . . . 0.604 ' O2 ' ' NH1' ' A' ' 33' ' ' ARG . . . . . . . . 0 P--O5' 1.625 3.24 0 C3'-C2'-C1' 99.102 -2.57 . . . . 38.99 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.563 -2.986 0 P-O3'-C3' 121.362 1.385 . . . . 27.92 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.384 -3.645 0 P-O3'-C3' 123.379 3.066 . . . . 39.17 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' ' DT' . . . . . 0.457 ' N3 ' ' N1 ' ' C' ' 115' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.378 -3.226 1 OP1-P-OP2 127.888 5.525 . . . . 36.57 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' ' DT' . . . . . 0.643 ' O4 ' ' N6 ' ' C' ' 114' ' ' ' DA' . . . . . . . . 1 O3'--C3' 1.371 -4.607 2 C3'-C2'-C1' 94.736 -5.688 . . . . 39.14 . . . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' C' C ' 114' ' ' ' DA' . . . . . 0.643 ' N6 ' ' O4 ' ' B' ' 111' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.416 -1.134 1 OP1-P-OP2 126.288 4.458 . . . . 66.48 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 115' ' ' ' DA' . . . . . 0.457 ' N1 ' ' N3 ' ' B' ' 110' ' ' ' DT' . . . . . . . . 0 C4'--C3' 1.509 -1.864 0 O4'-C1'-C2' 108.543 2.221 . . . . 57.13 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 116' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.397 -2.579 0 C4'-C3'-C2' 105.242 2.042 . . . . 59.06 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.551 3.259 0 OP1-P-OP2 125.258 3.772 . . . . 38.86 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 118' ' ' ' DA' . . . . . 0.434 ' N1 ' ' N3 ' ' B' ' 107' ' ' ' DT' . . . . . . . . 0 C4'--C3' 1.544 1.615 1 O4'-C1'-N19 111.471 4.589 . . . . 49.39 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 119' ' ' ' DC' . . . . . 0.466 ' N4 ' ' O6 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 1 O3'--C3' 1.306 -9.589 1 C3'-C2'-C1' 96.545 -4.396 . . . . 49.33 . . . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 1.831 0 N-CA-C 111.416 -0.673 . . . . 66.24 111.416 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.8 ptmm? -119.87 -60.44 1.71 Allowed 'General case' 0 C--O 1.237 0.416 0 N-CA-C 114.127 1.158 . . . . 69.3 114.127 -161.362 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -90.29 136.89 28.03 Favored Pre-proline 0 CA--C 1.537 0.454 0 C-N-CA 129.516 3.126 . . . . 65.68 111.099 -167.852 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -65.17 149.65 88.59 Favored 'Trans proline' 0 C--N 1.331 -0.392 0 N-CA-C 116.427 1.664 . . . . 59.61 116.427 -176.364 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.5 t -122.62 142.34 39.5 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 CA-C-N 114.885 -1.052 . . . . 50.05 111.289 -179.628 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LYS . . . . . 0.637 ' HD2' ' OE2' ' A' ' 17' ' ' GLU . 3.3 mmtt -84.89 119.27 25.16 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 103.837 -2.653 . . . . 66.02 103.837 177.802 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.9 m -134.2 158.87 42.29 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.64 0 CA-C-N 115.507 -0.769 . . . . 49.96 112.729 -177.551 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.2 tptt -100.91 109.88 21.88 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 107.873 -1.158 . . . . 60.62 107.873 177.07 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.1 p -73.06 158.52 86.95 Favored Pre-proline 0 C--N 1.326 -0.431 0 C-N-CA 119.817 -0.753 . . . . 46.91 110.671 -176.307 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -56.2 -41.24 78.73 Favored 'Trans proline' 0 C--O 1.24 0.605 0 O-C-N 121.827 0.383 . . . . 52.51 112.81 174.159 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.8 -25.72 2.0 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 113.075 0.768 . . . . 60.51 113.075 175.678 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 121.84 -19.98 8.26 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-O 119.174 -0.792 . . . . 55.48 114.787 -176.867 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.69 149.32 24.32 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 119.027 1.414 . . . . 51.56 113.746 -165.488 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLU . . . . . 0.637 ' OE2' ' HD2' ' A' ' 9' ' ' LYS . 6.6 tp10 -74.35 144.2 44.55 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.133 -1.062 . . . . 70.28 108.133 162.903 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -165.04 146.19 7.55 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 119.416 -0.914 . . . . 49.89 111.26 -172.36 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLU . . . . . 0.462 ' HG2' ' HG2' ' A' ' 9' ' ' LYS . 5.8 mt-10 -105.28 97.03 6.93 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 107.03 -1.47 . . . . 74.21 107.03 -179.811 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.5 mt -118.93 157.85 26.88 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 121.73 0.776 . . . . 50.14 109.479 -176.575 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.7 t -102.41 122.69 45.6 Favored Pre-proline 0 C--O 1.245 0.818 0 N-CA-C 107.769 -1.197 . . . . 63.05 107.769 177.716 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -68.11 145.65 67.72 Favored 'Trans proline' 0 C--N 1.326 -0.64 0 C-N-CA 120.521 0.814 . . . . 52.09 111.071 -175.088 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.72 -47.98 67.81 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.484 -0.886 . . . . 54.47 110.86 170.512 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' LYS . . . . . 0.433 ' HD3' ' OP1' ' B' ' 111' ' ' ' DT' . 54.4 mttt -140.04 144.89 37.11 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 108.374 -0.973 . . . . 56.65 108.374 178.427 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.2 m -127.33 151.06 33.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 N-CA-C 108.74 -0.837 . . . . 36.28 108.74 175.868 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 36.1 p90 -166.74 162.51 16.25 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 108.88 -0.785 . . . . 33.12 108.88 -179.894 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.71 136.49 33.03 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 114.665 -1.152 . . . . 27.98 109.391 177.498 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.1 tp -120.6 88.68 2.98 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 105.461 -2.052 . . . . 29.25 105.461 -177.278 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ALA . . . . . 0.418 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . . . -137.04 134.15 18.89 Favored Pre-proline 0 N--CA 1.441 -0.894 0 C-N-CA 116.566 -2.054 . . . . 24.6 110.417 -177.828 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 29' ' ' ALA . 6.2 Cg_endo -75.29 160.6 39.03 Favored 'Trans proline' 0 C--N 1.319 -1.023 0 C-N-CA 120.655 0.904 . . . . 28.18 110.674 170.986 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.7 mttt -58.99 136.85 58.07 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 114.919 -1.037 . . . . 35.06 109.836 170.05 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.72 -6.98 83.11 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 116.516 1.366 . . . . 37.88 116.516 179.649 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ARG . . . . . 0.604 ' NH1' ' O2 ' ' B' ' 107' ' ' ' DT' . 13.5 mtm180 -137.51 155.83 48.82 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 119.514 1.657 . . . . 39.56 109.996 -170.719 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -70.59 -36.99 73.86 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 119.146 -1.022 . . . . 61.13 112.17 -179.322 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 61.23 -166.17 14.89 Favored Glycine 0 CA--C 1.544 1.846 0 C-N-CA 119.569 -1.3 . . . . 29.56 112.508 -173.871 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.0 m -133.43 171.87 17.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-O 121.473 0.654 . . . . 30.47 109.295 -175.131 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' LYS . . . . . 0.43 ' HD3' HD11 ' A' ' 60' ' ' ILE . 84.7 mttt -103.2 140.22 37.65 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 108.537 -0.912 . . . . 48.33 108.537 168.779 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.4 mm -124.07 140.42 47.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 N-CA-C 109.044 -0.725 . . . . 29.93 109.044 -172.178 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -115.39 140.38 16.22 Favored Glycine 0 N--CA 1.461 0.334 0 N-CA-C 111.774 -0.53 . . . . 37.79 111.774 172.657 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 44.8 tp -89.55 130.02 35.93 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.895 -0.779 . . . . 42.81 108.895 166.859 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -133.52 153.5 51.59 Favored 'General case' 0 C--N 1.344 0.358 0 C-N-CA 122.727 0.411 . . . . 43.48 110.175 -178.513 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' LYS . . . . . 0.402 ' HE2' ' CZ ' ' A' ' 49' ' ' TYR . 22.9 ttmt -107.91 123.98 49.43 Favored 'General case' 0 C--O 1.241 0.641 0 N-CA-C 108.311 -0.996 . . . . 56.79 108.311 171.761 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -68.21 118.48 59.48 Favored Pre-proline 0 C--O 1.243 0.736 0 N-CA-C 108.444 -0.947 . . . . 50.77 108.444 178.146 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -65.79 -27.64 51.78 Favored 'Trans proline' 0 N--CA 1.473 0.321 0 CA-C-N 119.316 0.791 . . . . 50.56 113.249 174.299 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -61.69 -33.87 74.75 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 119.345 0.975 . . . . 54.16 112.231 176.793 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 71.9 p -132.91 -5.36 3.14 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 115.196 1.554 . . . . 53.44 115.196 -169.589 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.83 2.77 24.97 Favored Glycine 0 N--CA 1.447 -0.632 0 N-CA-C 116.084 1.193 . . . . 47.5 116.084 -167.542 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.2 mmmt -79.55 152.32 30.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 119.95 1.875 . . . . 57.79 110.645 -178.524 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' TYR . . . . . 0.402 ' CZ ' ' HE2' ' A' ' 42' ' ' LYS . 23.6 m-85 -89.46 144.93 25.66 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.259 -0.882 . . . . 51.67 110.66 175.471 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 26.8 p90 -154.02 160.61 42.09 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.452 -0.944 . . . . 39.94 108.452 176.117 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 57.0 mtt85 -115.57 148.39 39.62 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.99 -1.005 . . . . 39.32 109.047 -177.353 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 66.2 t-80 -151.1 141.86 22.78 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 119.484 -0.887 . . . . 35.87 108.735 -172.38 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' LYS . . . . . 0.797 ' HB2' " H5'" ' C' ' 117' ' ' ' DT' . 19.9 tttp -62.01 143.57 56.36 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.425 -0.51 . . . . 39.28 110.768 177.642 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.7 mt -103.4 163.36 17.62 Favored Pre-proline 0 C--N 1.316 -0.864 0 C-N-CA 118.72 -1.192 . . . . 38.34 110.185 170.763 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -64.56 150.05 88.87 Favored 'Trans proline' 0 C--O 1.232 0.215 0 N-CA-C 109.557 -0.978 . . . . 45.49 109.557 177.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -58.83 -13.26 5.72 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 119.358 -0.937 . . . . 48.35 113.494 -172.086 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 36.1 p30 -112.05 10.24 20.4 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 119.468 1.031 . . . . 60.98 113.223 177.023 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -54.96 132.65 67.54 Favored Pre-proline 0 C--N 1.324 -0.509 0 C-N-CA 118.77 -1.172 . . . . 56.02 109.207 171.99 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -75.7 121.92 6.58 Favored 'Trans proline' 0 C--N 1.326 -0.621 0 C-N-CA 120.898 1.065 . . . . 51.99 111.853 -178.346 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ILE . . . . . 0.43 HD11 ' HD3' ' A' ' 37' ' ' LYS . 15.8 mm . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 112.355 0.502 . . . . 60.29 112.355 175.575 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.546 2.835 0 OP1-P-OP2 123.598 2.665 . . . . 48.86 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 107' ' ' ' DT' . . . . . 0.604 ' O2 ' ' NH1' ' A' ' 33' ' ' ARG . . . . . . . . 0 P--O5' 1.625 3.24 0 C3'-C2'-C1' 99.102 -2.57 . . . . 38.99 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 108' ' ' ' DA' . . . . . 0.426 H2'' " H5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 P--O5' 1.563 -2.986 0 P-O3'-C3' 121.362 1.385 . . . . 27.92 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 109' ' ' ' DA' . . . . . 0.426 " H5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.384 -3.645 0 P-O3'-C3' 123.379 3.066 . . . . 39.17 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 110' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.378 -3.226 1 OP1-P-OP2 127.888 5.525 . . . . 36.57 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 111' ' ' ' DT' . . . . . 0.433 ' OP1' ' HD3' ' A' ' 24' ' ' LYS . . . . . . . . 1 O3'--C3' 1.371 -4.607 2 C3'-C2'-C1' 94.736 -5.688 . . . . 39.14 . . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' C' C ' 114' ' ' ' DA' . . . . . 0.416 H2'' ' C8 ' ' C' ' 115' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.416 -1.134 1 OP1-P-OP2 126.288 4.458 . . . . 66.48 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 115' ' ' ' DA' . . . . . 0.529 H2'' " H5'" ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C4'--C3' 1.509 -1.864 0 O4'-C1'-C2' 108.543 2.221 . . . . 57.13 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 116' ' ' ' DT' . . . . . 0.529 " H5'" H2'' ' C' ' 115' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.397 -2.579 0 C4'-C3'-C2' 105.242 2.042 . . . . 59.06 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 117' ' ' ' DT' . . . . . 0.797 " H5'" ' HB2' ' A' ' 53' ' ' LYS . . . . . . . . 0 C3'--C2' 1.551 3.259 0 OP1-P-OP2 125.258 3.772 . . . . 38.86 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 118' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.544 1.615 1 O4'-C1'-N19 111.471 4.589 . . . . 49.39 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 119' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O3'--C3' 1.306 -9.589 1 C3'-C2'-C1' 96.545 -4.396 . . . . 49.33 . . . . . . . . . . 2 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 1.831 0 N-CA-C 111.416 -0.673 . . . . 66.24 111.416 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.8 ptmm? -119.87 -60.44 1.71 Allowed 'General case' 0 C--O 1.237 0.416 0 N-CA-C 114.127 1.158 . . . . 69.3 114.127 -161.362 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -90.29 136.89 28.03 Favored Pre-proline 0 CA--C 1.537 0.454 0 C-N-CA 129.516 3.126 . . . . 65.68 111.099 -167.852 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -65.17 149.65 88.59 Favored 'Trans proline' 0 C--N 1.331 -0.392 0 N-CA-C 116.427 1.664 . . . . 59.61 116.427 -176.364 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.5 t -122.62 142.34 39.5 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 CA-C-N 114.885 -1.052 . . . . 50.05 111.289 -179.628 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.637 ' HD2' ' OE2' ' A' ' 17' ' ' GLU . 3.3 mmtt -84.89 119.27 25.16 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 103.837 -2.653 . . . . 66.02 103.837 177.802 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.9 m -134.2 158.87 42.29 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.64 0 CA-C-N 115.507 -0.769 . . . . 49.96 112.729 -177.551 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.2 tptt -100.91 109.88 21.88 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 107.873 -1.158 . . . . 60.62 107.873 177.07 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.1 p -73.06 158.52 86.95 Favored Pre-proline 0 C--N 1.326 -0.431 0 C-N-CA 119.817 -0.753 . . . . 46.91 110.671 -176.307 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -56.2 -41.24 78.73 Favored 'Trans proline' 0 C--O 1.24 0.605 0 O-C-N 121.827 0.383 . . . . 52.51 112.81 174.159 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.8 -25.72 2.0 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 113.075 0.768 . . . . 60.51 113.075 175.678 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 121.84 -19.98 8.26 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-O 119.174 -0.792 . . . . 55.48 114.787 -176.867 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.69 149.32 24.32 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 119.027 1.414 . . . . 51.56 113.746 -165.488 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.637 ' OE2' ' HD2' ' A' ' 9' ' ' LYS . 6.6 tp10 -74.35 144.2 44.55 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.133 -1.062 . . . . 70.28 108.133 162.903 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -165.04 146.19 7.55 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 119.416 -0.914 . . . . 49.89 111.26 -172.36 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.462 ' HG2' ' HG2' ' A' ' 9' ' ' LYS . 5.8 mt-10 -105.28 97.03 6.93 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 107.03 -1.47 . . . . 74.21 107.03 -179.811 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.5 mt -118.93 157.85 26.88 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 121.73 0.776 . . . . 50.14 109.479 -176.575 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.7 t -102.41 122.69 45.6 Favored Pre-proline 0 C--O 1.245 0.818 0 N-CA-C 107.769 -1.197 . . . . 63.05 107.769 177.716 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -68.11 145.65 67.72 Favored 'Trans proline' 0 C--N 1.326 -0.64 0 C-N-CA 120.521 0.814 . . . . 52.09 111.071 -175.088 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.72 -47.98 67.81 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.484 -0.886 . . . . 54.47 110.86 170.512 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.433 ' HD3' ' OP1' ' B' ' 111' ' ' ' DT' . 54.4 mttt -140.04 144.89 37.11 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 108.374 -0.973 . . . . 56.65 108.374 178.427 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.2 m -127.33 151.06 33.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 N-CA-C 108.74 -0.837 . . . . 36.28 108.74 175.868 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 36.1 p90 -166.74 162.51 16.25 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 108.88 -0.785 . . . . 33.12 108.88 -179.894 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.71 136.49 33.03 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 114.665 -1.152 . . . . 27.98 109.391 177.498 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.1 tp -120.6 88.68 2.98 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 105.461 -2.052 . . . . 29.25 105.461 -177.278 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.418 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . . . -137.04 134.15 18.89 Favored Pre-proline 0 N--CA 1.441 -0.894 0 C-N-CA 116.566 -2.054 . . . . 24.6 110.417 -177.828 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 29' ' ' ALA . 6.2 Cg_endo -75.29 160.6 39.03 Favored 'Trans proline' 0 C--N 1.319 -1.023 0 C-N-CA 120.655 0.904 . . . . 28.18 110.674 170.986 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.7 mttt -58.99 136.85 58.07 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 114.919 -1.037 . . . . 35.06 109.836 170.05 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.72 -6.98 83.11 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 116.516 1.366 . . . . 37.88 116.516 179.649 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.604 ' NH1' ' O2 ' ' B' ' 107' ' ' ' DT' . 13.5 mtm180 -137.51 155.83 48.82 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 119.514 1.657 . . . . 39.56 109.996 -170.719 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -70.59 -36.99 73.86 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 119.146 -1.022 . . . . 61.13 112.17 -179.322 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 61.23 -166.17 14.89 Favored Glycine 0 CA--C 1.544 1.846 0 C-N-CA 119.569 -1.3 . . . . 29.56 112.508 -173.871 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.0 m -133.43 171.87 17.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-O 121.473 0.654 . . . . 30.47 109.295 -175.131 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.43 ' HD3' HD11 ' A' ' 60' ' ' ILE . 84.7 mttt -103.2 140.22 37.65 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 108.537 -0.912 . . . . 48.33 108.537 168.779 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.4 mm -124.07 140.42 47.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 N-CA-C 109.044 -0.725 . . . . 29.93 109.044 -172.178 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -115.39 140.38 16.22 Favored Glycine 0 N--CA 1.461 0.334 0 N-CA-C 111.774 -0.53 . . . . 37.79 111.774 172.657 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 44.8 tp -89.55 130.02 35.93 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.895 -0.779 . . . . 42.81 108.895 166.859 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -133.52 153.5 51.59 Favored 'General case' 0 C--N 1.344 0.358 0 C-N-CA 122.727 0.411 . . . . 43.48 110.175 -178.513 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.402 ' HE2' ' CZ ' ' A' ' 49' ' ' TYR . 22.9 ttmt -107.91 123.98 49.43 Favored 'General case' 0 C--O 1.241 0.641 0 N-CA-C 108.311 -0.996 . . . . 56.79 108.311 171.761 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -68.21 118.48 59.48 Favored Pre-proline 0 C--O 1.243 0.736 0 N-CA-C 108.444 -0.947 . . . . 50.77 108.444 178.146 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -65.79 -27.64 51.78 Favored 'Trans proline' 0 N--CA 1.473 0.321 0 CA-C-N 119.316 0.791 . . . . 50.56 113.249 174.299 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -61.69 -33.87 74.75 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 119.345 0.975 . . . . 54.16 112.231 176.793 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 71.9 p -132.91 -5.36 3.14 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 115.196 1.554 . . . . 53.44 115.196 -169.589 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.83 2.77 24.97 Favored Glycine 0 N--CA 1.447 -0.632 0 N-CA-C 116.084 1.193 . . . . 47.5 116.084 -167.542 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.2 mmmt -79.55 152.32 30.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 119.95 1.875 . . . . 57.79 110.645 -178.524 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.402 ' CZ ' ' HE2' ' A' ' 42' ' ' LYS . 23.6 m-85 -89.46 144.93 25.66 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.259 -0.882 . . . . 51.67 110.66 175.471 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 26.8 p90 -154.02 160.61 42.09 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.452 -0.944 . . . . 39.94 108.452 176.117 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 57.0 mtt85 -115.57 148.39 39.62 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.99 -1.005 . . . . 39.32 109.047 -177.353 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 66.2 t-80 -151.1 141.86 22.78 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 119.484 -0.887 . . . . 35.87 108.735 -172.38 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.797 ' HB2' " H5'" ' C' ' 117' ' ' ' DT' . 19.9 tttp -62.01 143.57 56.36 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.425 -0.51 . . . . 39.28 110.768 177.642 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.7 mt -103.4 163.36 17.62 Favored Pre-proline 0 C--N 1.316 -0.864 0 C-N-CA 118.72 -1.192 . . . . 38.34 110.185 170.763 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -64.56 150.05 88.87 Favored 'Trans proline' 0 C--O 1.232 0.215 0 N-CA-C 109.557 -0.978 . . . . 45.49 109.557 177.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -58.83 -13.26 5.72 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 119.358 -0.937 . . . . 48.35 113.494 -172.086 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 36.1 p30 -112.05 10.24 20.4 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 119.468 1.031 . . . . 60.98 113.223 177.023 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -54.96 132.65 67.54 Favored Pre-proline 0 C--N 1.324 -0.509 0 C-N-CA 118.77 -1.172 . . . . 56.02 109.207 171.99 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -75.7 121.92 6.58 Favored 'Trans proline' 0 C--N 1.326 -0.621 0 C-N-CA 120.898 1.065 . . . . 51.99 111.853 -178.346 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.43 HD11 ' HD3' ' A' ' 37' ' ' LYS . 15.8 mm . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 112.355 0.502 . . . . 60.29 112.355 175.575 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.546 2.835 0 OP1-P-OP2 123.598 2.665 . . . . 48.86 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' ' DT' . . . . . 0.604 ' O2 ' ' NH1' ' A' ' 33' ' ' ARG . . . . . . . . 0 P--O5' 1.625 3.24 0 C3'-C2'-C1' 99.102 -2.57 . . . . 38.99 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.426 H2'' " H5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 P--O5' 1.563 -2.986 0 P-O3'-C3' 121.362 1.385 . . . . 27.92 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.426 " H5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.384 -3.645 0 P-O3'-C3' 123.379 3.066 . . . . 39.17 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.378 -3.226 1 OP1-P-OP2 127.888 5.525 . . . . 36.57 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' ' DT' . . . . . 0.433 ' OP1' ' HD3' ' A' ' 24' ' ' LYS . . . . . . . . 1 O3'--C3' 1.371 -4.607 2 C3'-C2'-C1' 94.736 -5.688 . . . . 39.14 . . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' C' C ' 114' ' ' ' DA' . . . . . 0.416 H2'' ' C8 ' ' C' ' 115' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.416 -1.134 1 OP1-P-OP2 126.288 4.458 . . . . 66.48 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 115' ' ' ' DA' . . . . . 0.529 H2'' " H5'" ' C' ' 116' ' ' ' DT' . . . . . . . . 0 C4'--C3' 1.509 -1.864 0 O4'-C1'-C2' 108.543 2.221 . . . . 57.13 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 116' ' ' ' DT' . . . . . 0.529 " H5'" H2'' ' C' ' 115' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.397 -2.579 0 C4'-C3'-C2' 105.242 2.042 . . . . 59.06 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 117' ' ' ' DT' . . . . . 0.797 " H5'" ' HB2' ' A' ' 53' ' ' LYS . . . . . . . . 0 C3'--C2' 1.551 3.259 0 OP1-P-OP2 125.258 3.772 . . . . 38.86 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 118' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.544 1.615 1 O4'-C1'-N19 111.471 4.589 . . . . 49.39 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 119' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O3'--C3' 1.306 -9.589 1 C3'-C2'-C1' 96.545 -4.396 . . . . 49.33 . . . . . . . . . . 2 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_