data_6xuo_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 6xuo _Structure_validation_residue.Date_analyzed 2020-01-24 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 ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.1 0 N-CA-C 111.0 -0.84 . . . . 105.38 111.0 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -99.78 153.92 18.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.495 0.664 . . . . 100.49 112.026 -167.03 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -168.65 171.26 8.88 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 114.966 -1.015 . . . . 91.11 108.299 -179.375 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 52.1 p -112.88 163.0 15.17 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.973 0.892 . . . . 78.45 111.108 -170.983 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 70.1 t -64.02 -38.24 81.9 Favored 'Isoleucine or valine' 0 C--O 1.242 0.678 0 CA-C-N 114.558 -1.201 . . . . 69.94 111.05 -167.835 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 99.3 m -115.46 134.77 54.77 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 107.676 -1.231 . . . . 71.08 107.676 174.036 -69.447 -90.695 -85.944 103.884 2.076 103.265 -71.721 -58.745 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -80.71 131.87 35.5 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 107.981 -1.118 . . . . 87.69 107.981 178.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.7 p -116.16 174.32 6.11 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 122.141 0.972 . . . . 73.55 110.729 -178.32 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.0 p -144.41 139.68 24.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 114.316 -1.311 . . . . 69.73 108.261 172.881 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.0 m -126.95 137.09 53.06 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.713 -0.676 . . . . 67.85 109.205 -176.135 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.8 m -142.11 148.95 19.9 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-O 121.498 0.666 . . . . 69.93 109.568 177.723 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -82.96 136.58 34.49 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.131 -0.692 . . . . 70.22 109.131 168.018 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.5 m -122.11 132.8 70.2 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 N-CA-C 108.982 -0.747 . . . . 83.38 108.982 175.101 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -129.84 3.58 6.06 Favored Glycine 0 C--N 1.349 1.291 0 O-C-N 123.746 0.654 . . . . 80.94 114.426 177.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -108.77 31.88 5.31 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 124.585 1.154 . . . . 82.55 111.028 178.562 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -78.72 135.17 37.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.262 0.553 . . . . 74.72 110.135 -174.082 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' THR . . . . . 0.634 ' O ' ' N ' ' A' ' 38' ' ' VAL . 44.9 p -124.33 -45.42 1.96 Allowed 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.58 0.585 . . . . 82.17 112.58 174.798 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.3 t -108.39 142.32 38.92 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.269 -0.641 . . . . 78.49 109.269 -176.947 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -150.03 164.29 35.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.709 0.766 . . . . 71.29 109.044 177.901 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.4 t -103.27 136.68 42.6 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 107.984 -1.117 . . . . 81.48 107.984 175.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 34' ' ' LYS . 0.6 OUTLIER -92.12 -174.05 3.64 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 118.835 -1.146 . . . . 95.68 108.61 -169.56 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.3 tp -63.53 -38.18 81.55 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 CA-C-N 115.625 -0.716 . . . . 94.84 110.809 -167.074 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LYS . . . . . 0.458 ' O ' ' NZ ' ' A' ' 34' ' ' LYS . 7.3 mmtt -110.3 51.22 0.77 Allowed 'General case' 0 C--O 1.233 0.217 0 C-N-CA 118.614 -1.234 . . . . 121.4 112.179 177.547 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.31 -9.38 73.29 Favored Glycine 0 C--N 1.339 0.746 0 N-CA-C 116.771 1.468 . . . . 92.86 116.771 159.889 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' LYS . . . . . 0.458 ' NZ ' ' O ' ' A' ' 32' ' ' LYS . 2.8 mmtm -85.5 153.0 22.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 118.776 1.288 . . . . 131.83 111.596 -175.581 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -78.88 144.01 35.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.082 -0.963 . . . . 83.14 109.245 171.038 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.5 m -139.77 169.18 16.93 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.208 0 CA-C-O 121.745 0.783 . . . . 78.65 108.947 173.049 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 31.2 tpp -107.44 130.81 54.78 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.98 -1.119 . . . . 96.29 107.98 -178.872 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' VAL . . . . . 0.634 ' N ' ' O ' ' A' ' 26' ' ' THR . 88.9 t -98.66 126.23 51.86 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 N-CA-C 107.341 -1.355 . . . . 77.07 107.341 -179.464 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 63.3 mt -77.97 157.51 29.66 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.784 0.802 . . . . 88.93 111.024 178.837 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.35 -44.09 43.83 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.066 -1.064 . . . . 92.95 113.127 -177.693 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -118.19 168.89 10.17 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.51 0.671 . . . . 114.32 110.476 -171.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.0 p -142.06 153.35 18.62 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 N-CA-C 108.294 -1.002 . . . . 107.18 108.294 179.24 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -119.8 90.53 3.35 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 107.771 -1.196 . . . . 123.87 107.771 174.503 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.4 pt -99.88 142.49 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 N-CA-C 106.074 -1.825 . . . . 122.18 106.074 177.251 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 52.62 -115.19 0.91 Allowed 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 104.875 -2.269 . . . . 132.09 104.875 -173.485 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -133.54 48.71 2.35 Favored 'General case' 0 N--CA 1.484 1.23 0 N-CA-C 107.385 -1.339 . . . . 127.89 107.385 175.955 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 51.0 m -138.04 151.15 47.59 Favored 'General case' 0 N--CA 1.482 1.159 0 O-C-N 124.675 1.234 . . . . 117.66 108.811 -179.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 49.9 t -103.14 123.69 56.76 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 O-C-N 125.212 1.57 . . . . 110.44 108.845 -178.245 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -130.73 152.74 49.75 Favored 'General case' 0 CA--C 1.52 -0.189 0 C-N-CA 124.214 1.006 . . . . 99.63 109.812 -178.544 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.1 ttpp -91.89 157.76 16.66 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.0 -0.741 . . . . 91.09 109.0 171.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -94.25 123.37 37.6 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 115.676 -0.693 . . . . 80.36 110.211 -177.126 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -117.79 166.62 12.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.177 0.513 . . . . 77.86 110.091 179.807 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -158.39 128.42 5.97 Favored 'General case' 0 CA--C 1.517 -0.297 0 C-N-CA 123.129 0.572 . . . . 70.75 110.029 -171.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -100.83 111.17 23.34 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.531 -0.914 . . . . 67.07 108.531 178.627 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -112.85 140.24 47.82 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 123.013 0.525 . . . . 74.71 110.74 -173.108 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 99.6 m -128.0 124.24 36.71 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 109.145 -0.687 . . . . 64.0 109.145 173.679 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.2 mttp -112.24 164.81 12.77 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 124.68 1.192 . . . . 86.19 109.695 175.195 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 84.8 m -72.43 148.24 45.36 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 115.01 -0.996 . . . . 78.83 111.128 166.04 -67.388 -60.441 105.056 104.092 2.065 103.727 75.718 -177.366 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 9.3 mtt85 -82.26 -48.42 11.25 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.435 -0.802 . . . . 85.28 111.114 170.473 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -120.89 80.03 33.12 Favored Pre-proline 0 C--O 1.243 0.716 0 CA-C-O 121.58 0.705 . . . . 78.91 110.219 -175.648 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -77.48 12.62 1.81 Allowed 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 121.442 1.428 . . . . 67.54 114.852 175.977 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -48.3 128.6 12.81 Favored Pre-proline 0 C--N 1.327 -0.373 0 O-C-N 123.465 0.478 . . . . 75.64 110.302 -178.088 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -102.38 21.55 0.17 Allowed 'Trans proline' 0 C--N 1.308 -1.561 0 CA-C-N 119.059 0.699 . . . . 71.88 112.209 -179.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.2 m -126.95 -63.18 1.14 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 C-N-CA 119.905 -0.718 . . . . 86.89 110.3 168.624 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -84.16 87.08 7.15 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 105.355 -2.091 . . . . 108.46 105.355 170.409 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 38.4 t -43.23 137.35 2.64 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 114.595 -1.184 . . . . 78.01 112.152 -177.344 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -82.55 -6.14 88.86 Favored Glycine 0 N--CA 1.44 -1.034 0 CA-C-N 115.074 -0.967 . . . . 75.75 114.428 167.627 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 84.2 m -66.26 124.15 21.88 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 118.813 1.306 . . . . 73.19 110.727 176.527 -64.362 -136.005 118.203 105.577 2.061 104.622 82.067 -176.893 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -82.37 149.66 27.58 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.232 0.539 . . . . 88.99 110.528 171.627 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 69.6 41.13 76.66 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 118.787 2.275 . . . . 74.75 118.787 163.06 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.0 mm -106.28 149.88 9.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 CA-C-N 119.625 1.712 . . . . 83.63 111.334 -175.068 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ASP . . . . . 0.714 ' OD2' ' ND1' ' A' ' 75' ' ' HIS . 43.4 t0 -65.35 74.8 0.06 Allowed 'General case' 0 C--N 1.349 0.577 0 N-CA-C 106.618 -1.623 . . . . 92.45 106.618 162.327 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' SER . . . . . 0.533 ' O ' ' NZ ' ' A' ' 115' ' ' LYS . 1.5 p -64.15 -14.74 57.14 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 112.977 0.732 . . . . 94.36 112.977 179.112 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.8 mttp -66.95 -44.67 79.97 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 119.192 0.905 . . . . 110.95 111.127 175.156 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' HIS . . . . . 0.714 ' ND1' ' OD2' ' A' ' 72' ' ' ASP . 11.8 m80 -100.91 3.81 42.11 Favored 'General case' 0 C--O 1.24 0.595 0 N-CA-C 113.987 1.106 . . . . 102.02 113.987 -177.453 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -150.03 136.25 18.83 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 119.263 0.938 . . . . 95.19 113.368 -162.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -98.84 152.41 19.76 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 124.261 1.024 . . . . 98.41 110.393 169.8 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 51.6 p -153.27 153.1 32.0 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 118.277 -1.369 . . . . 72.97 112.235 -175.936 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -150.58 163.46 38.42 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-O 121.897 0.856 . . . . 83.98 110.374 163.563 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 74.3 m -91.55 139.22 30.91 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 114.827 -1.079 . . . . 64.61 111.651 174.45 -58.745 -71.721 -85.944 103.265 2.076 103.884 -90.695 -69.447 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.8 t -141.6 144.55 34.28 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 121.517 0.675 . . . . 78.2 110.594 -176.691 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 30.4 m -84.07 122.59 29.0 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.191 -0.913 . . . . 71.39 108.651 176.965 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 31.7 p -99.24 169.36 9.43 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-O 121.509 0.671 . . . . 67.73 109.821 172.675 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 55.5 m80 -130.23 147.5 51.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.646 0.736 . . . . 72.51 111.599 -170.069 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.0 t -113.7 -173.44 2.27 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 122.428 1.109 . . . . 71.03 109.459 164.304 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -138.68 128.95 25.71 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 115.18 -0.918 . . . . 72.21 108.858 -177.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.2 m -126.08 155.72 36.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 107.199 -1.408 . . . . 73.55 107.199 178.016 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -86.48 146.75 26.28 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.737 0.78 . . . . 88.48 110.079 175.301 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -151.03 156.13 40.47 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 109.268 -0.641 . . . . 78.79 109.268 178.332 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.0 tp -79.8 110.36 15.09 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.51 -0.922 . . . . 86.91 108.51 176.875 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 82.8 p -110.6 -166.35 1.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 123.354 0.662 . . . . 101.29 110.003 -179.941 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 11.8 mmm -126.69 112.65 15.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.23 -0.441 . . . . 132.58 109.882 -175.085 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -114.5 111.34 21.24 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 106.787 -1.561 . . . . 159.06 106.787 -172.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 61.29 -105.58 0.92 Allowed Glycine 0 N--CA 1.448 -0.52 0 N-CA-C 107.603 -2.199 . . . . 139.86 107.603 -165.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -155.57 43.15 0.44 Allowed 'General case' 0 C--O 1.253 1.278 0 CA-C-N 118.028 0.914 . . . . 141.2 110.848 166.036 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -128.08 152.86 47.47 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 106.539 -1.652 . . . . 137.11 106.539 140.082 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.48 158.18 36.71 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 122.262 1.029 . . . . 125.6 112.775 -162.621 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -131.61 147.51 52.53 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 114.883 -1.053 . . . . 100.93 110.034 172.44 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -91.59 101.02 13.66 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 105.746 -1.946 . . . . 91.66 105.746 172.987 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -132.09 162.13 31.58 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 119.68 -0.808 . . . . 118.25 111.451 -175.481 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -87.88 122.59 31.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.125 -0.943 . . . . 78.63 109.983 -176.441 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 18.5 pt -112.59 152.81 14.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.829 0.823 . . . . 68.45 109.486 175.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 31.4 ttp85 -89.29 131.23 35.48 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.871 -1.059 . . . . 91.82 109.048 -177.339 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 29.3 pt -135.4 142.9 38.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-O 120.986 0.422 . . . . 71.5 111.465 178.053 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -58.72 120.3 8.7 Favored 'General case' 0 C--N 1.343 0.325 0 CA-C-N 115.328 -0.851 . . . . 73.81 111.029 176.077 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.7 t -117.51 -12.71 10.35 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 114.939 1.459 . . . . 64.79 114.939 -172.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . 179.49 166.01 1.07 Allowed 'General case' 0 C--O 1.241 0.609 0 CA-C-N 119.477 1.035 . . . . 63.6 109.9 -166.123 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 47.8 t -128.67 110.18 11.98 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 108.437 -0.949 . . . . 72.93 108.437 -178.62 -177.366 75.718 105.056 103.727 2.065 104.092 -60.441 -67.388 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.8 m -117.5 160.31 17.11 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.135 0 CA-C-O 121.586 0.708 . . . . 61.59 109.526 -179.623 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 44.5 t -96.99 132.7 42.54 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.497 -0.774 . . . . 68.48 109.127 -179.749 -176.893 82.067 118.203 104.622 2.061 105.577 -136.005 -64.362 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 20.1 t -113.44 140.69 32.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 C-N-CA 123.394 0.678 . . . . 77.29 109.856 -179.319 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.5 mt -123.22 157.21 33.59 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 121.975 0.893 . . . . 83.46 112.446 -176.49 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 92.0 p -144.9 141.52 29.13 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 113.709 -1.587 . . . . 98.3 107.62 166.443 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -78.91 156.28 28.65 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 121.673 0.749 . . . . 119.17 110.84 -179.712 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' LYS . . . . . 0.533 ' NZ ' ' O ' ' A' ' 73' ' ' SER . 30.2 mttt -91.1 146.27 23.98 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.34 -0.846 . . . . 110.88 111.478 -173.788 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 76.9 p . . . . . 0 N--CA 1.477 0.917 0 N-CA-C 115.156 1.539 . . . . 118.41 115.156 -171.955 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.1 0 N-CA-C 111.0 -0.84 . . . . 105.38 111.0 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -99.78 153.92 18.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.495 0.664 . . . . 100.49 112.026 -167.03 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -168.65 171.26 8.88 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 114.966 -1.015 . . . . 91.11 108.299 -179.375 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 52.1 p -112.88 163.0 15.17 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.973 0.892 . . . . 78.45 111.108 -170.983 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 70.1 t -64.02 -38.24 81.9 Favored 'Isoleucine or valine' 0 C--O 1.242 0.678 0 CA-C-N 114.558 -1.201 . . . . 69.94 111.05 -167.835 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 99.3 m -115.46 134.77 54.77 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 107.676 -1.231 . . . . 71.08 107.676 174.036 -69.447 -90.695 -85.944 103.884 2.076 103.265 -71.721 -58.745 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -80.71 131.87 35.5 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 107.981 -1.118 . . . . 87.69 107.981 178.918 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.7 p -116.16 174.32 6.11 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 122.141 0.972 . . . . 73.55 110.729 -178.32 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.0 p -144.41 139.68 24.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 114.316 -1.311 . . . . 69.73 108.261 172.881 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.0 m -126.95 137.09 53.06 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.713 -0.676 . . . . 67.85 109.205 -176.135 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.8 m -142.11 148.95 19.9 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-O 121.498 0.666 . . . . 69.93 109.568 177.723 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -82.96 136.58 34.49 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.131 -0.692 . . . . 70.22 109.131 168.018 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' VAL . . . . . 0.52 HG23 ' HB2' ' A' ' 53' ' ' PHE . 2.5 m -122.11 132.8 70.2 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 N-CA-C 108.982 -0.747 . . . . 83.38 108.982 175.101 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -129.84 3.58 6.06 Favored Glycine 0 C--N 1.349 1.291 0 O-C-N 123.746 0.654 . . . . 80.94 114.426 177.719 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -108.77 31.88 5.31 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 124.585 1.154 . . . . 82.55 111.028 178.562 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -78.72 135.17 37.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.262 0.553 . . . . 74.72 110.135 -174.082 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 44.9 p -124.33 -45.42 1.96 Allowed 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.58 0.585 . . . . 82.17 112.58 174.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.3 t -108.39 142.32 38.92 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.269 -0.641 . . . . 78.49 109.269 -176.947 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -150.03 164.29 35.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.709 0.766 . . . . 71.29 109.044 177.901 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.4 t -103.27 136.68 42.6 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 107.984 -1.117 . . . . 81.48 107.984 175.976 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.12 -174.05 3.64 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 118.835 -1.146 . . . . 95.68 108.61 -169.56 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.3 tp -63.53 -38.18 81.55 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 CA-C-N 115.625 -0.716 . . . . 94.84 110.809 -167.074 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -110.3 51.22 0.77 Allowed 'General case' 0 C--O 1.233 0.217 0 C-N-CA 118.614 -1.234 . . . . 121.4 112.179 177.547 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.31 -9.38 73.29 Favored Glycine 0 C--N 1.339 0.746 0 N-CA-C 116.771 1.468 . . . . 92.86 116.771 159.889 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.8 mmtm -85.5 153.0 22.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 118.776 1.288 . . . . 131.83 111.596 -175.581 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -78.88 144.01 35.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.082 -0.963 . . . . 83.14 109.245 171.038 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.5 m -139.77 169.18 16.93 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.208 0 CA-C-O 121.745 0.783 . . . . 78.65 108.947 173.049 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 31.2 tpp -107.44 130.81 54.78 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.98 -1.119 . . . . 96.29 107.98 -178.872 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 88.9 t -98.66 126.23 51.86 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 N-CA-C 107.341 -1.355 . . . . 77.07 107.341 -179.464 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' LEU . . . . . 0.408 HD21 ' CG ' ' A' ' 92' ' ' MET . 63.3 mt -77.97 157.51 29.66 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.784 0.802 . . . . 88.93 111.024 178.837 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.35 -44.09 43.83 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.066 -1.064 . . . . 92.95 113.127 -177.693 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -118.19 168.89 10.17 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.51 0.671 . . . . 114.32 110.476 -171.744 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' VAL . . . . . 0.478 HG12 ' O ' ' A' ' 49' ' ' PHE . 10.0 p -142.06 153.35 18.62 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 N-CA-C 108.294 -1.002 . . . . 107.18 108.294 179.24 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -119.8 90.53 3.35 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 107.771 -1.196 . . . . 123.87 107.771 174.503 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.4 pt -99.88 142.49 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 N-CA-C 106.074 -1.825 . . . . 122.18 106.074 177.251 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 52.62 -115.19 0.91 Allowed 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 104.875 -2.269 . . . . 132.09 104.875 -173.485 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -133.54 48.71 2.35 Favored 'General case' 0 N--CA 1.484 1.23 0 N-CA-C 107.385 -1.339 . . . . 127.89 107.385 175.955 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 51.0 m -138.04 151.15 47.59 Favored 'General case' 0 N--CA 1.482 1.159 0 O-C-N 124.675 1.234 . . . . 117.66 108.811 -179.963 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 49.9 t -103.14 123.69 56.76 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 O-C-N 125.212 1.57 . . . . 110.44 108.845 -178.245 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' PHE . . . . . 0.478 ' O ' HG12 ' A' ' 42' ' ' VAL . 83.0 m-85 -130.73 152.74 49.75 Favored 'General case' 0 CA--C 1.52 -0.189 0 C-N-CA 124.214 1.006 . . . . 99.63 109.812 -178.544 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.1 ttpp -91.89 157.76 16.66 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.0 -0.741 . . . . 91.09 109.0 171.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -94.25 123.37 37.6 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 115.676 -0.693 . . . . 80.36 110.211 -177.126 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -117.79 166.62 12.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.177 0.513 . . . . 77.86 110.091 179.807 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' PHE . . . . . 0.52 ' HB2' HG23 ' A' ' 22' ' ' VAL . 84.2 m-85 -158.39 128.42 5.97 Favored 'General case' 0 CA--C 1.517 -0.297 0 C-N-CA 123.129 0.572 . . . . 70.75 110.029 -171.682 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -100.83 111.17 23.34 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.531 -0.914 . . . . 67.07 108.531 178.627 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -112.85 140.24 47.82 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 123.013 0.525 . . . . 74.71 110.74 -173.108 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 99.6 m -128.0 124.24 36.71 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 109.145 -0.687 . . . . 64.0 109.145 173.679 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.2 mttp -112.24 164.81 12.77 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 124.68 1.192 . . . . 86.19 109.695 175.195 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 84.8 m -72.43 148.24 45.36 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 115.01 -0.996 . . . . 78.83 111.128 166.04 -67.388 -60.441 105.056 104.092 2.065 103.727 75.718 -177.366 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 9.3 mtt85 -82.26 -48.42 11.25 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.435 -0.802 . . . . 85.28 111.114 170.473 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -120.89 80.03 33.12 Favored Pre-proline 0 C--O 1.243 0.716 0 CA-C-O 121.58 0.705 . . . . 78.91 110.219 -175.648 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -77.48 12.62 1.81 Allowed 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 121.442 1.428 . . . . 67.54 114.852 175.977 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -48.3 128.6 12.81 Favored Pre-proline 0 C--N 1.327 -0.373 0 O-C-N 123.465 0.478 . . . . 75.64 110.302 -178.088 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -102.38 21.55 0.17 Allowed 'Trans proline' 0 C--N 1.308 -1.561 0 CA-C-N 119.059 0.699 . . . . 71.88 112.209 -179.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' VAL . . . . . 0.41 HG23 ' N ' ' A' ' 65' ' ' ASP . 5.2 m -126.95 -63.18 1.14 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 C-N-CA 119.905 -0.718 . . . . 86.89 110.3 168.624 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ASP . . . . . 0.41 ' N ' HG23 ' A' ' 64' ' ' VAL . 52.4 t0 -84.16 87.08 7.15 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 105.355 -2.091 . . . . 108.46 105.355 170.409 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 38.4 t -43.23 137.35 2.64 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 114.595 -1.184 . . . . 78.01 112.152 -177.344 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -82.55 -6.14 88.86 Favored Glycine 0 N--CA 1.44 -1.034 0 CA-C-N 115.074 -0.967 . . . . 75.75 114.428 167.627 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 84.2 m -66.26 124.15 21.88 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 118.813 1.306 . . . . 73.19 110.727 176.527 -64.362 -136.005 118.203 105.577 2.061 104.622 82.067 -176.893 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -82.37 149.66 27.58 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.232 0.539 . . . . 88.99 110.528 171.627 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 69.6 41.13 76.66 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 118.787 2.275 . . . . 74.75 118.787 163.06 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.0 mm -106.28 149.88 9.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 CA-C-N 119.625 1.712 . . . . 83.63 111.334 -175.068 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ASP . . . . . 0.714 ' OD2' ' ND1' ' A' ' 75' ' ' HIS . 43.4 t0 -65.35 74.8 0.06 Allowed 'General case' 0 C--N 1.349 0.577 0 N-CA-C 106.618 -1.623 . . . . 92.45 106.618 162.327 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.5 p -64.15 -14.74 57.14 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 112.977 0.732 . . . . 94.36 112.977 179.112 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.8 mttp -66.95 -44.67 79.97 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 119.192 0.905 . . . . 110.95 111.127 175.156 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' HIS . . . . . 0.714 ' ND1' ' OD2' ' A' ' 72' ' ' ASP . 11.8 m80 -100.91 3.81 42.11 Favored 'General case' 0 C--O 1.24 0.595 0 N-CA-C 113.987 1.106 . . . . 102.02 113.987 -177.453 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 76' ' ' TRP . . . . . 0.547 ' HD1' ' HB3' ' A' ' 72' ' ' ASP . 91.8 m95 -150.03 136.25 18.83 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 119.263 0.938 . . . . 95.19 113.368 -162.964 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ASN . . . . . 0.49 ' OD1' ' HE3' ' A' ' 115' ' ' LYS . 83.4 m-20 -98.84 152.41 19.76 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 124.261 1.024 . . . . 98.41 110.393 169.8 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 51.6 p -153.27 153.1 32.0 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 118.277 -1.369 . . . . 72.97 112.235 -175.936 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -150.58 163.46 38.42 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-O 121.897 0.856 . . . . 83.98 110.374 163.563 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 74.3 m -91.55 139.22 30.91 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 114.827 -1.079 . . . . 64.61 111.651 174.45 -58.745 -71.721 -85.944 103.265 2.076 103.884 -90.695 -69.447 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.8 t -141.6 144.55 34.28 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 121.517 0.675 . . . . 78.2 110.594 -176.691 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 30.4 m -84.07 122.59 29.0 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.191 -0.913 . . . . 71.39 108.651 176.965 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 31.7 p -99.24 169.36 9.43 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-O 121.509 0.671 . . . . 67.73 109.821 172.675 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 55.5 m80 -130.23 147.5 51.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.646 0.736 . . . . 72.51 111.599 -170.069 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.0 t -113.7 -173.44 2.27 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 122.428 1.109 . . . . 71.03 109.459 164.304 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -138.68 128.95 25.71 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 115.18 -0.918 . . . . 72.21 108.858 -177.855 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.2 m -126.08 155.72 36.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 107.199 -1.408 . . . . 73.55 107.199 178.016 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -86.48 146.75 26.28 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.737 0.78 . . . . 88.48 110.079 175.301 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -151.03 156.13 40.47 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 109.268 -0.641 . . . . 78.79 109.268 178.332 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.0 tp -79.8 110.36 15.09 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.51 -0.922 . . . . 86.91 108.51 176.875 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 82.8 p -110.6 -166.35 1.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 123.354 0.662 . . . . 101.29 110.003 -179.941 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' MET . . . . . 0.408 ' CG ' HD21 ' A' ' 39' ' ' LEU . 11.8 mmm -126.69 112.65 15.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.23 -0.441 . . . . 132.58 109.882 -175.085 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -114.5 111.34 21.24 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 106.787 -1.561 . . . . 159.06 106.787 -172.994 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' GLY . . . . . 0.47 ' O ' ' HG3' ' A' ' 95' ' ' LYS . . . 61.29 -105.58 0.92 Allowed Glycine 0 N--CA 1.448 -0.52 0 N-CA-C 107.603 -2.199 . . . . 139.86 107.603 -165.625 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 95' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' A' ' 94' ' ' GLY . 99.2 mttt -155.57 43.15 0.44 Allowed 'General case' 0 C--O 1.253 1.278 0 CA-C-N 118.028 0.914 . . . . 141.2 110.848 166.036 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 96' ' ' GLN . . . . . 0.432 ' HG2' ' H ' ' A' ' 97' ' ' ALA . 3.6 tt0 -128.08 152.86 47.47 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 106.539 -1.652 . . . . 137.11 106.539 140.082 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 97' ' ' ALA . . . . . 0.432 ' H ' ' HG2' ' A' ' 96' ' ' GLN . . . -71.48 158.18 36.71 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 122.262 1.029 . . . . 125.6 112.775 -162.621 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -131.61 147.51 52.53 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 114.883 -1.053 . . . . 100.93 110.034 172.44 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -91.59 101.02 13.66 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 105.746 -1.946 . . . . 91.66 105.746 172.987 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' ARG . . . . . 0.449 HH22 ' HD2' ' A' ' 101' ' ' PHE . 10.3 mmm180 -132.09 162.13 31.58 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 119.68 -0.808 . . . . 118.25 111.451 -175.481 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 101' ' ' PHE . . . . . 0.449 ' HD2' HH22 ' A' ' 100' ' ' ARG . 26.9 m-85 -87.88 122.59 31.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.125 -0.943 . . . . 78.63 109.983 -176.441 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 18.5 pt -112.59 152.81 14.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.829 0.823 . . . . 68.45 109.486 175.585 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 31.4 ttp85 -89.29 131.23 35.48 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.871 -1.059 . . . . 91.82 109.048 -177.339 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 29.3 pt -135.4 142.9 38.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-O 120.986 0.422 . . . . 71.5 111.465 178.053 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -58.72 120.3 8.7 Favored 'General case' 0 C--N 1.343 0.325 0 CA-C-N 115.328 -0.851 . . . . 73.81 111.029 176.077 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.7 t -117.51 -12.71 10.35 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 114.939 1.459 . . . . 64.79 114.939 -172.821 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . 179.49 166.01 1.07 Allowed 'General case' 0 C--O 1.241 0.609 0 CA-C-N 119.477 1.035 . . . . 63.6 109.9 -166.123 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 47.8 t -128.67 110.18 11.98 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 108.437 -0.949 . . . . 72.93 108.437 -178.62 -177.366 75.718 105.056 103.727 2.065 104.092 -60.441 -67.388 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.8 m -117.5 160.31 17.11 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.135 0 CA-C-O 121.586 0.708 . . . . 61.59 109.526 -179.623 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 44.5 t -96.99 132.7 42.54 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.497 -0.774 . . . . 68.48 109.127 -179.749 -176.893 82.067 118.203 104.622 2.061 105.577 -136.005 -64.362 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 20.1 t -113.44 140.69 32.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 C-N-CA 123.394 0.678 . . . . 77.29 109.856 -179.319 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.5 mt -123.22 157.21 33.59 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 121.975 0.893 . . . . 83.46 112.446 -176.49 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 92.0 p -144.9 141.52 29.13 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 113.709 -1.587 . . . . 98.3 107.62 166.443 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -78.91 156.28 28.65 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 121.673 0.749 . . . . 119.17 110.84 -179.712 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' LYS . . . . . 0.49 ' HE3' ' OD1' ' A' ' 77' ' ' ASN . 30.2 mttt -91.1 146.27 23.98 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.34 -0.846 . . . . 110.88 111.478 -173.788 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 76.9 p . . . . . 0 N--CA 1.477 0.917 0 N-CA-C 115.156 1.539 . . . . 118.41 115.156 -171.955 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.1 0 N-CA-C 111.0 -0.84 . . . . 105.38 111.0 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -99.78 153.92 18.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.495 0.664 . . . . 100.49 112.026 -167.03 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -168.65 171.26 8.88 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 114.966 -1.015 . . . . 91.11 108.299 -179.375 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 52.1 p -112.88 163.0 15.17 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.973 0.892 . . . . 78.45 111.108 -170.983 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 70.1 t -64.02 -38.24 81.9 Favored 'Isoleucine or valine' 0 C--O 1.242 0.678 0 CA-C-N 114.558 -1.201 . . . . 69.94 111.05 -167.835 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 99.3 m -115.46 134.77 54.77 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 107.676 -1.231 . . . . 71.08 107.676 174.036 -69.447 -90.695 -85.944 103.884 2.076 103.265 -71.721 -58.745 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -80.71 131.87 35.5 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 107.981 -1.118 . . . . 87.69 107.981 178.918 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.7 p -116.16 174.32 6.11 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 122.141 0.972 . . . . 73.55 110.729 -178.32 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.0 p -144.41 139.68 24.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 114.316 -1.311 . . . . 69.73 108.261 172.881 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.0 m -126.95 137.09 53.06 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.713 -0.676 . . . . 67.85 109.205 -176.135 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.8 m -142.11 148.95 19.9 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-O 121.498 0.666 . . . . 69.93 109.568 177.723 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -82.96 136.58 34.49 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.131 -0.692 . . . . 70.22 109.131 168.018 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.52 HG23 ' HB2' ' A' ' 53' ' ' PHE . 2.5 m -122.11 132.8 70.2 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 N-CA-C 108.982 -0.747 . . . . 83.38 108.982 175.101 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -129.84 3.58 6.06 Favored Glycine 0 C--N 1.349 1.291 0 O-C-N 123.746 0.654 . . . . 80.94 114.426 177.719 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -108.77 31.88 5.31 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 124.585 1.154 . . . . 82.55 111.028 178.562 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -78.72 135.17 37.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.262 0.553 . . . . 74.72 110.135 -174.082 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 44.9 p -124.33 -45.42 1.96 Allowed 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.58 0.585 . . . . 82.17 112.58 174.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.3 t -108.39 142.32 38.92 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.269 -0.641 . . . . 78.49 109.269 -176.947 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -150.03 164.29 35.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.709 0.766 . . . . 71.29 109.044 177.901 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.4 t -103.27 136.68 42.6 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 107.984 -1.117 . . . . 81.48 107.984 175.976 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.12 -174.05 3.64 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 118.835 -1.146 . . . . 95.68 108.61 -169.56 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.3 tp -63.53 -38.18 81.55 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 CA-C-N 115.625 -0.716 . . . . 94.84 110.809 -167.074 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -110.3 51.22 0.77 Allowed 'General case' 0 C--O 1.233 0.217 0 C-N-CA 118.614 -1.234 . . . . 121.4 112.179 177.547 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.31 -9.38 73.29 Favored Glycine 0 C--N 1.339 0.746 0 N-CA-C 116.771 1.468 . . . . 92.86 116.771 159.889 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.8 mmtm -85.5 153.0 22.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 118.776 1.288 . . . . 131.83 111.596 -175.581 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -78.88 144.01 35.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.082 -0.963 . . . . 83.14 109.245 171.038 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.5 m -139.77 169.18 16.93 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.208 0 CA-C-O 121.745 0.783 . . . . 78.65 108.947 173.049 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 31.2 tpp -107.44 130.81 54.78 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.98 -1.119 . . . . 96.29 107.98 -178.872 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 88.9 t -98.66 126.23 51.86 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 N-CA-C 107.341 -1.355 . . . . 77.07 107.341 -179.464 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.408 HD21 ' CG ' ' A' ' 92' ' ' MET . 63.3 mt -77.97 157.51 29.66 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.784 0.802 . . . . 88.93 111.024 178.837 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.35 -44.09 43.83 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.066 -1.064 . . . . 92.95 113.127 -177.693 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -118.19 168.89 10.17 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.51 0.671 . . . . 114.32 110.476 -171.744 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.478 HG12 ' O ' ' A' ' 49' ' ' PHE . 10.0 p -142.06 153.35 18.62 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 N-CA-C 108.294 -1.002 . . . . 107.18 108.294 179.24 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -119.8 90.53 3.35 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 107.771 -1.196 . . . . 123.87 107.771 174.503 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.4 pt -99.88 142.49 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 N-CA-C 106.074 -1.825 . . . . 122.18 106.074 177.251 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 52.62 -115.19 0.91 Allowed 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 104.875 -2.269 . . . . 132.09 104.875 -173.485 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -133.54 48.71 2.35 Favored 'General case' 0 N--CA 1.484 1.23 0 N-CA-C 107.385 -1.339 . . . . 127.89 107.385 175.955 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 51.0 m -138.04 151.15 47.59 Favored 'General case' 0 N--CA 1.482 1.159 0 O-C-N 124.675 1.234 . . . . 117.66 108.811 -179.963 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 49.9 t -103.14 123.69 56.76 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 O-C-N 125.212 1.57 . . . . 110.44 108.845 -178.245 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.478 ' O ' HG12 ' A' ' 42' ' ' VAL . 83.0 m-85 -130.73 152.74 49.75 Favored 'General case' 0 CA--C 1.52 -0.189 0 C-N-CA 124.214 1.006 . . . . 99.63 109.812 -178.544 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.1 ttpp -91.89 157.76 16.66 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.0 -0.741 . . . . 91.09 109.0 171.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -94.25 123.37 37.6 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 115.676 -0.693 . . . . 80.36 110.211 -177.126 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -117.79 166.62 12.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.177 0.513 . . . . 77.86 110.091 179.807 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.52 ' HB2' HG23 ' A' ' 22' ' ' VAL . 84.2 m-85 -158.39 128.42 5.97 Favored 'General case' 0 CA--C 1.517 -0.297 0 C-N-CA 123.129 0.572 . . . . 70.75 110.029 -171.682 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -100.83 111.17 23.34 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.531 -0.914 . . . . 67.07 108.531 178.627 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -112.85 140.24 47.82 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 123.013 0.525 . . . . 74.71 110.74 -173.108 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 99.6 m -128.0 124.24 36.71 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 109.145 -0.687 . . . . 64.0 109.145 173.679 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.2 mttp -112.24 164.81 12.77 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 124.68 1.192 . . . . 86.19 109.695 175.195 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 84.8 m -72.43 148.24 45.36 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 115.01 -0.996 . . . . 78.83 111.128 166.04 -67.388 -60.441 105.056 104.092 2.065 103.727 75.718 -177.366 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 9.3 mtt85 -82.26 -48.42 11.25 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.435 -0.802 . . . . 85.28 111.114 170.473 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -120.89 80.03 33.12 Favored Pre-proline 0 C--O 1.243 0.716 0 CA-C-O 121.58 0.705 . . . . 78.91 110.219 -175.648 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -77.48 12.62 1.81 Allowed 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 121.442 1.428 . . . . 67.54 114.852 175.977 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -48.3 128.6 12.81 Favored Pre-proline 0 C--N 1.327 -0.373 0 O-C-N 123.465 0.478 . . . . 75.64 110.302 -178.088 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -102.38 21.55 0.17 Allowed 'Trans proline' 0 C--N 1.308 -1.561 0 CA-C-N 119.059 0.699 . . . . 71.88 112.209 -179.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.41 HG23 ' N ' ' A' ' 65' ' ' ASP . 5.2 m -126.95 -63.18 1.14 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 C-N-CA 119.905 -0.718 . . . . 86.89 110.3 168.624 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.41 ' N ' HG23 ' A' ' 64' ' ' VAL . 52.4 t0 -84.16 87.08 7.15 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 105.355 -2.091 . . . . 108.46 105.355 170.409 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 38.4 t -43.23 137.35 2.64 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 114.595 -1.184 . . . . 78.01 112.152 -177.344 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -82.55 -6.14 88.86 Favored Glycine 0 N--CA 1.44 -1.034 0 CA-C-N 115.074 -0.967 . . . . 75.75 114.428 167.627 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 84.2 m -66.26 124.15 21.88 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 118.813 1.306 . . . . 73.19 110.727 176.527 -64.362 -136.005 118.203 105.577 2.061 104.622 82.067 -176.893 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -82.37 149.66 27.58 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.232 0.539 . . . . 88.99 110.528 171.627 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 69.6 41.13 76.66 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 118.787 2.275 . . . . 74.75 118.787 163.06 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.0 mm -106.28 149.88 9.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 CA-C-N 119.625 1.712 . . . . 83.63 111.334 -175.068 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.714 ' OD2' ' ND1' ' A' ' 75' ' ' HIS . 43.4 t0 -65.35 74.8 0.06 Allowed 'General case' 0 C--N 1.349 0.577 0 N-CA-C 106.618 -1.623 . . . . 92.45 106.618 162.327 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.5 p -64.15 -14.74 57.14 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 112.977 0.732 . . . . 94.36 112.977 179.112 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.8 mttp -66.95 -44.67 79.97 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 119.192 0.905 . . . . 110.95 111.127 175.156 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.714 ' ND1' ' OD2' ' A' ' 72' ' ' ASP . 11.8 m80 -100.91 3.81 42.11 Favored 'General case' 0 C--O 1.24 0.595 0 N-CA-C 113.987 1.106 . . . . 102.02 113.987 -177.453 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.547 ' HD1' ' HB3' ' A' ' 72' ' ' ASP . 91.8 m95 -150.03 136.25 18.83 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 119.263 0.938 . . . . 95.19 113.368 -162.964 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.49 ' OD1' ' HE3' ' A' ' 115' ' ' LYS . 83.4 m-20 -98.84 152.41 19.76 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 124.261 1.024 . . . . 98.41 110.393 169.8 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 51.6 p -153.27 153.1 32.0 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 118.277 -1.369 . . . . 72.97 112.235 -175.936 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -150.58 163.46 38.42 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-O 121.897 0.856 . . . . 83.98 110.374 163.563 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 74.3 m -91.55 139.22 30.91 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 114.827 -1.079 . . . . 64.61 111.651 174.45 -58.745 -71.721 -85.944 103.265 2.076 103.884 -90.695 -69.447 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.8 t -141.6 144.55 34.28 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 121.517 0.675 . . . . 78.2 110.594 -176.691 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 30.4 m -84.07 122.59 29.0 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.191 -0.913 . . . . 71.39 108.651 176.965 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 31.7 p -99.24 169.36 9.43 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-O 121.509 0.671 . . . . 67.73 109.821 172.675 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 55.5 m80 -130.23 147.5 51.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.646 0.736 . . . . 72.51 111.599 -170.069 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.0 t -113.7 -173.44 2.27 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 122.428 1.109 . . . . 71.03 109.459 164.304 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -138.68 128.95 25.71 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 115.18 -0.918 . . . . 72.21 108.858 -177.855 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.2 m -126.08 155.72 36.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 107.199 -1.408 . . . . 73.55 107.199 178.016 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -86.48 146.75 26.28 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.737 0.78 . . . . 88.48 110.079 175.301 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -151.03 156.13 40.47 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 109.268 -0.641 . . . . 78.79 109.268 178.332 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.0 tp -79.8 110.36 15.09 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.51 -0.922 . . . . 86.91 108.51 176.875 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 82.8 p -110.6 -166.35 1.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 123.354 0.662 . . . . 101.29 110.003 -179.941 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' MET . . . . . 0.408 ' CG ' HD21 ' A' ' 39' ' ' LEU . 11.8 mmm -126.69 112.65 15.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.23 -0.441 . . . . 132.58 109.882 -175.085 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -114.5 111.34 21.24 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 106.787 -1.561 . . . . 159.06 106.787 -172.994 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.47 ' O ' ' HG3' ' A' ' 95' ' ' LYS . . . 61.29 -105.58 0.92 Allowed Glycine 0 N--CA 1.448 -0.52 0 N-CA-C 107.603 -2.199 . . . . 139.86 107.603 -165.625 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' A' ' 94' ' ' GLY . 99.2 mttt -155.57 43.15 0.44 Allowed 'General case' 0 C--O 1.253 1.278 0 CA-C-N 118.028 0.914 . . . . 141.2 110.848 166.036 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.432 ' HG2' ' H ' ' A' ' 97' ' ' ALA . 3.6 tt0 -128.08 152.86 47.47 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 106.539 -1.652 . . . . 137.11 106.539 140.082 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.432 ' H ' ' HG2' ' A' ' 96' ' ' GLN . . . -71.48 158.18 36.71 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 122.262 1.029 . . . . 125.6 112.775 -162.621 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -131.61 147.51 52.53 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 114.883 -1.053 . . . . 100.93 110.034 172.44 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -91.59 101.02 13.66 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 105.746 -1.946 . . . . 91.66 105.746 172.987 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.449 HH22 ' HD2' ' A' ' 101' ' ' PHE . 10.3 mmm180 -132.09 162.13 31.58 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 119.68 -0.808 . . . . 118.25 111.451 -175.481 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.449 ' HD2' HH22 ' A' ' 100' ' ' ARG . 26.9 m-85 -87.88 122.59 31.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.125 -0.943 . . . . 78.63 109.983 -176.441 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 18.5 pt -112.59 152.81 14.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.829 0.823 . . . . 68.45 109.486 175.585 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 31.4 ttp85 -89.29 131.23 35.48 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.871 -1.059 . . . . 91.82 109.048 -177.339 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 29.3 pt -135.4 142.9 38.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-O 120.986 0.422 . . . . 71.5 111.465 178.053 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -58.72 120.3 8.7 Favored 'General case' 0 C--N 1.343 0.325 0 CA-C-N 115.328 -0.851 . . . . 73.81 111.029 176.077 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.7 t -117.51 -12.71 10.35 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 114.939 1.459 . . . . 64.79 114.939 -172.821 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . 179.49 166.01 1.07 Allowed 'General case' 0 C--O 1.241 0.609 0 CA-C-N 119.477 1.035 . . . . 63.6 109.9 -166.123 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 47.8 t -128.67 110.18 11.98 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 108.437 -0.949 . . . . 72.93 108.437 -178.62 -177.366 75.718 105.056 103.727 2.065 104.092 -60.441 -67.388 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.8 m -117.5 160.31 17.11 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.135 0 CA-C-O 121.586 0.708 . . . . 61.59 109.526 -179.623 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 44.5 t -96.99 132.7 42.54 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.497 -0.774 . . . . 68.48 109.127 -179.749 -176.893 82.067 118.203 104.622 2.061 105.577 -136.005 -64.362 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 20.1 t -113.44 140.69 32.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 C-N-CA 123.394 0.678 . . . . 77.29 109.856 -179.319 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.5 mt -123.22 157.21 33.59 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 121.975 0.893 . . . . 83.46 112.446 -176.49 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 92.0 p -144.9 141.52 29.13 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 113.709 -1.587 . . . . 98.3 107.62 166.443 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -78.91 156.28 28.65 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 121.673 0.749 . . . . 119.17 110.84 -179.712 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.49 ' HE3' ' OD1' ' A' ' 77' ' ' ASN . 30.2 mttt -91.1 146.27 23.98 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.34 -0.846 . . . . 110.88 111.478 -173.788 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 76.9 p . . . . . 0 N--CA 1.477 0.917 0 N-CA-C 115.156 1.539 . . . . 118.41 115.156 -171.955 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_