data_3zee_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 3zee _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . 0.261 14.8 m . . . . . 0 CA--C 1.476 -1.872 0 CA-C-O 121.321 0.582 . . . . 0.0 110.358 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 0' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -139.82 -25.86 0.81 Allowed 'General case' 0 C--N 1.397 2.637 0 CA-C-O 114.588 -2.625 . . . . 0.0 106.639 176.415 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -58.92 147.85 32.59 Favored 'General case' 0 CA--C 1.563 1.471 0 CA-C-N 124.263 3.211 . . . . 0.0 114.386 173.07 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -163.56 155.01 16.85 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 127.443 2.297 . . . . 0.0 113.65 163.063 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.8 t -142.22 179.16 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.149 -0.969 . . . . 0.0 112.142 -174.74 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -135.22 120.53 19.03 Favored 'General case' 0 C--O 1.161 -3.593 0 CA-C-O 124.49 2.091 . . . . 0.0 111.39 -175.536 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.2 t -101.56 136.96 30.98 Favored 'Isoleucine or valine' 0 C--N 1.383 2.026 0 CA-C-O 114.402 -2.713 . . . . 0.0 109.162 174.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.7 m -107.17 96.46 6.44 Favored 'General case' 0 C--N 1.377 1.764 0 C-N-CA 114.434 -2.906 . . . . 0.0 109.732 177.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' PHE . . . . . 0.539 ' CD2' ' CD2' ' A' ' 34' ' ' TYR 0.262 20.7 m-85 -82.47 84.95 7.02 Favored 'General case' 0 C--O 1.199 -1.563 0 C-N-CA 119.014 -1.074 . . . . 0.0 109.91 175.506 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 65.54 -144.26 46.91 Favored Glycine 0 C--O 1.216 -0.998 0 N-CA-C 107.312 -2.315 . . . . 0.0 107.312 177.446 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . 0.286 0.9 OUTLIER -63.42 -33.84 76.44 Favored 'General case' 0 C--O 1.179 -2.656 0 C-N-CA 127.992 2.517 . . . . 0.0 114.91 -171.15 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.5 m -89.42 136.67 32.9 Favored 'General case' 0 CA--C 1.427 -3.757 0 O-C-N 117.486 -3.259 . . . . 0.0 107.375 170.409 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . 0.254 0.0 OUTLIER -109.64 147.8 32.43 Favored 'General case' 1 CA--C 1.403 -4.684 1 N-CA-C 98.086 -4.783 . . . . 0.0 98.086 174.634 . . . . . . . . 5 3 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.3 p -132.03 122.14 48.28 Favored 'Isoleucine or valine' 0 N--CA 1.392 -3.333 0 N-CA-C 102.58 -3.119 . . . . 0.0 102.58 -170.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -74.23 137.08 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.382 -3.867 3 N-CA-C 98.46 -4.644 . . . . 0.0 98.46 -175.774 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.1 t -124.03 125.08 25.88 Favored Pre-proline 0 N--CA 1.395 -3.225 0 N-CA-C 105.056 -2.202 . . . . 0.0 105.056 -176.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -77.97 136.84 15.16 Favored 'Trans proline' 0 N--CA 1.418 -2.958 0 N-CA-C 105.266 -2.628 . . . . 0.0 105.266 171.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.1 m -127.03 -1.7 6.5 Favored 'General case' 0 CA--C 1.443 -3.141 0 CA-C-O 127.636 3.588 . . . . 0.0 111.037 -165.118 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 51.84 -99.53 0.04 OUTLIER Glycine 1 N--CA 1.394 -4.157 1 C-N-CA 131.221 4.248 . . . . 0.0 110.166 -170.916 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -107.28 -15.39 14.66 Favored 'General case' 0 N--CA 1.431 -1.396 0 N-CA-C 104.621 -2.363 . . . . 0.0 104.621 -167.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 76.48 7.09 85.18 Favored Glycine 0 C--N 1.365 2.141 0 C-N-CA 128.389 2.9 . . . . 0.0 115.429 -175.095 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -90.46 104.82 17.36 Favored 'General case' 0 N--CA 1.407 -2.608 0 N-CA-C 103.257 -2.868 . . . . 0.0 103.257 179.268 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . 0.265 9.5 ttm 176.89 156.27 0.28 Allowed 'General case' 0 C--N 1.384 2.097 0 CA-C-N 111.507 -2.588 . . . . 0.0 109.025 -174.892 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -80.4 169.14 18.12 Favored 'General case' 0 C--O 1.197 -1.703 0 N-CA-C 103.493 -2.78 . . . . 0.0 103.493 169.712 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.9 t -49.95 -39.58 15.6 Favored 'Isoleucine or valine' 0 C--O 1.274 2.353 0 O-C-N 117.207 -3.433 . . . . 0.0 119.174 -177.778 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . 0.298 5.3 m-85 -53.04 -56.97 12.07 Favored 'General case' 0 CA--C 1.459 -2.524 1 N-CA-C 122.824 4.379 . . . . 0.0 122.824 -174.716 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.27 -37.38 64.65 Favored 'General case' 0 CA--C 1.456 -2.647 1 CA-C-N 126.218 4.099 . . . . 0.0 113.344 -176.779 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.7 tt -59.74 -48.62 80.96 Favored 'General case' 0 CA--C 1.439 -3.294 0 CA-C-N 121.519 1.963 . . . . 0.0 111.48 179.993 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . . . -55.99 -37.08 46.86 Favored 'Isoleucine or valine' 0 C--O 1.156 -3.832 0 N-CA-C 105.741 -1.948 . . . . 0.0 105.741 -178.866 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -64.76 -46.91 80.16 Favored 'General case' 0 CA--C 1.466 -2.284 0 C-N-CA 119.141 -1.023 . . . . 0.0 111.871 177.881 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -57.08 -47.9 79.89 Favored 'General case' 0 N--CA 1.418 -2.049 0 O-C-N 119.228 -2.17 . . . . 0.0 112.87 -176.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.08 -46.12 89.09 Favored 'General case' 1 CA--C 1.399 -4.854 0 CA-C-O 122.758 1.266 . . . . 0.0 112.419 177.567 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.4 t -59.69 -47.91 89.41 Favored 'Isoleucine or valine' 0 C--O 1.26 1.627 0 C-N-CA 127.116 2.166 . . . . 0.0 105.87 -172.746 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . 0.311 63.5 p -54.67 -38.43 66.93 Favored 'General case' 0 CA--C 1.474 -1.967 0 CA-C-N 112.8 -2.0 . . . . 0.0 108.853 171.349 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 44.6 mtt85 -79.34 -28.74 42.06 Favored 'General case' 1 CA--C 1.386 -5.334 0 CA-C-O 116.946 -1.502 . . . . 0.0 109.21 -177.948 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' TYR . . . . . 0.539 ' CD2' ' CD2' ' A' ' 7' ' ' PHE 0.271 1.0 OUTLIER -69.43 -40.55 77.16 Favored 'General case' 0 N--CA 1.416 -2.157 0 CA-C-N 123.588 2.903 . . . . 0.0 109.166 -179.298 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 0.322 81.6 mtm180 -69.4 -19.34 63.81 Favored 'General case' 0 N--CA 1.396 -3.163 0 C-N-CA 127.404 2.282 . . . . 0.0 113.352 175.597 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.5 tttt -90.99 -12.56 35.51 Favored 'General case' 0 N--CA 1.408 -2.545 0 O-C-N 119.378 -2.076 . . . . 0.0 109.5 177.773 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -85.99 -37.78 18.61 Favored 'General case' 0 N--CA 1.413 -2.323 0 O-C-N 126.368 2.293 . . . . 0.0 116.29 177.792 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.1 p -148.23 -3.24 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.212 0 CA-C-O 113.476 -3.154 . . . . 0.0 112.629 -172.641 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.93 130.91 43.21 Favored 'General case' 0 C--N 1.37 1.466 0 CA-C-N 122.834 2.561 . . . . 0.0 111.901 -175.497 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.8 pttp -89.41 -112.69 0.07 Allowed 'General case' 0 N--CA 1.41 -2.461 1 N-CA-C 98.562 -4.607 . . . . 0.0 98.562 169.674 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -82.4 148.17 58.36 Favored Pre-proline 0 C--N 1.363 1.183 0 O-C-N 119.723 -1.86 . . . . 0.0 107.387 -179.814 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -88.79 112.21 0.62 Allowed 'Trans proline' 0 CA--C 1.462 -3.118 0 CA-C-N 125.231 2.904 . . . . 0.0 106.521 -179.716 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.259 17.9 t-20 179.22 116.9 0.04 OUTLIER 'General case' 0 CA--C 1.485 -1.52 1 N-CA-C 98.561 -4.607 . . . . 0.0 98.561 -176.624 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 175.14 -164.72 0.03 OUTLIER 'General case' 0 N--CA 1.402 -2.834 1 N-CA-C 97.296 -5.076 . . . . 0.0 97.296 -168.104 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -126.81 164.0 22.33 Favored 'General case' 0 C--N 1.383 2.06 1 C-N-CA 134.142 4.977 . . . . 0.0 107.437 175.978 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . . . -145.3 49.43 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.426 -3.789 0 O-C-N 117.632 -3.167 . . . . 0.0 112.943 173.163 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.8 pm0 -104.45 94.53 5.38 Favored 'General case' 0 C--O 1.2 -1.529 0 N-CA-C 105.189 -2.152 . . . . 0.0 105.189 -176.069 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 1.8 t -80.78 126.13 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.383 -3.815 0 CA-C-N 110.465 -3.061 . . . . 0.0 108.938 171.205 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . 0.402 58.5 m-70 -81.39 -56.83 3.79 Favored 'General case' 0 C--O 1.273 2.315 0 O-C-N 116.745 -3.722 . . . . 0.0 115.738 179.49 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.85 162.84 16.17 Favored 'General case' 0 C--N 1.378 1.843 1 CA-C-N 126.379 4.172 . . . . 0.0 111.039 177.108 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.3 mp -95.51 144.93 25.58 Favored 'General case' 0 N--CA 1.397 -3.093 0 N-CA-C 104.311 -2.477 . . . . 0.0 104.311 -171.896 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -137.92 156.77 47.53 Favored 'General case' 0 CA--C 1.479 -1.782 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 177.298 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.2 165.46 21.49 Favored 'General case' 0 C--N 1.426 3.912 0 C-N-CA 131.039 3.735 . . . . 0.0 105.822 159.192 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -48.09 -55.16 10.57 Favored Glycine 0 C--N 1.353 1.524 0 O-C-N 117.218 -3.426 . . . . 0.0 118.26 -173.131 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -119.65 -3.01 10.36 Favored 'General case' 0 N--CA 1.405 -2.716 0 N-CA-C 102.561 -3.126 . . . . 0.0 102.561 170.193 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -78.3 140.39 23.66 Favored Glycine 0 C--N 1.386 3.332 0 N-CA-C 108.266 -1.933 . . . . 0.0 108.266 -174.008 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -57.55 -175.8 0.42 Allowed Glycine 0 CA--C 1.452 -3.888 1 C-N-CA 130.739 4.019 . . . . 0.0 114.989 -175.397 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . . . -72.49 127.49 34.52 Favored 'Isoleucine or valine' 0 CA--C 1.484 -1.558 0 CA-C-N 109.33 -3.435 . . . . 0.0 109.074 -171.8 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.97 130.23 34.66 Favored 'General case' 1 CA--C 1.365 -6.163 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 170.863 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -54.7 141.32 32.68 Favored 'General case' 0 CA--C 1.559 1.324 0 N-CA-C 104.715 -2.328 . . . . 0.0 104.715 174.342 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.42 34.68 3.51 Favored 'General case' 0 N--CA 1.384 -3.765 0 CA-C-N 109.114 -3.675 . . . . 0.0 111.196 -155.966 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -146.38 -37.49 0.24 Allowed 'General case' 0 CA--C 1.422 -3.977 0 CA-C-O 115.8 -2.047 . . . . 0.0 108.014 -179.449 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.58 166.55 0.44 Allowed 'General case' 0 CA--C 1.45 -2.894 0 CA-C-N 122.293 2.315 . . . . 0.0 117.069 -171.277 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . . . -65.69 111.39 1.49 Allowed 'Isoleucine or valine' 0 CA--C 1.439 -3.292 0 N-CA-C 100.539 -3.875 . . . . 0.0 100.539 174.837 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -48.97 79.5 Favored 'General case' 0 N--CA 1.417 -2.084 0 O-C-N 125.011 1.444 . . . . 0.0 107.58 -169.279 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 28.3 p -65.06 -13.61 58.4 Favored 'General case' 0 CA--C 1.483 -1.617 0 CA-C-O 116.047 -1.93 . . . . 0.0 110.212 -169.459 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -96.32 -9.75 29.43 Favored 'General case' 0 N--CA 1.43 -1.459 0 CA-C-N 124.69 3.404 . . . . 0.0 111.546 -179.626 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 31.3 t -100.87 -76.01 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.446 -3.025 0 N-CA-C 102.159 -3.274 . . . . 0.0 102.159 -176.296 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.7 142.07 55.12 Favored 'General case' 0 CA--C 1.465 -2.32 0 CA-C-N 109.893 -3.321 . . . . 0.0 111.995 171.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.38 -157.07 0.53 Allowed 'General case' 0 C--O 1.17 -3.096 0 C-N-CA 130.084 3.354 . . . . 0.0 103.69 -172.5 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -129.09 155.33 45.62 Favored 'General case' 0 CA--C 1.465 -2.319 0 CA-C-N 120.241 1.382 . . . . 0.0 113.506 -173.118 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.8 mmmm 67.26 41.01 2.62 Favored 'General case' 0 C--O 1.184 -2.375 0 CA-C-O 127.241 3.401 . . . . 0.0 109.803 177.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -104.15 147.49 27.38 Favored 'General case' 0 N--CA 1.426 -1.658 0 CA-C-N 112.218 -2.264 . . . . 0.0 110.136 -178.605 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 23.3 mtp180 -91.95 114.31 26.81 Favored 'General case' 0 C--O 1.254 1.303 0 O-C-N 125.191 1.557 . . . . 0.0 111.948 163.278 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -111.97 148.95 32.67 Favored 'General case' 0 CA--C 1.464 -2.353 0 C-N-CA 129.297 3.039 . . . . 0.0 105.71 169.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 6.8 m -101.88 166.05 2.63 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.096 0 O-C-N 127.534 3.021 . . . . 0.0 104.204 179.473 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -134.64 122.71 22.67 Favored 'General case' 0 N--CA 1.4 -2.969 1 O-C-N 129.429 4.206 . . . . 0.0 111.164 173.036 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.6 t -94.28 111.79 25.88 Favored 'Isoleucine or valine' 0 CA--C 1.447 -2.99 1 C-N-CA 138.476 6.71 . . . . 0.0 112.615 175.308 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . 0.447 15.6 p90 -144.4 171.67 14.02 Favored 'General case' 0 N--CA 1.397 -3.111 0 C-N-CA 129.098 2.959 . . . . 0.0 112.117 -158.321 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . 0.261 7.9 m-20 -129.68 144.72 51.42 Favored 'General case' 0 CA--C 1.492 -1.273 1 N-CA-C 99.707 -4.183 . . . . 0.0 99.707 149.422 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.67 7.25 0.07 Allowed 'General case' 0 CA--C 1.47 -2.111 0 CA-C-O 123.008 1.385 . . . . 0.0 108.443 178.159 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 . . . . . 0 N--CA 1.502 2.14 0 CA-C-O 123.452 1.596 . . . . 0.0 108.963 -174.553 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' -1' ' ' SER . . . . . 0.457 ' HB2' ' HA ' ' A' ' 18' ' ' ASP 0.261 14.8 m . . . . . 0 CA--C 1.476 -1.872 0 CA-C-O 121.321 0.582 . . . . 0.0 110.358 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 0' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -139.82 -25.86 0.81 Allowed 'General case' 0 C--N 1.397 2.637 0 CA-C-O 114.588 -2.625 . . . . 0.0 106.639 176.415 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -58.92 147.85 32.59 Favored 'General case' 0 CA--C 1.563 1.471 0 CA-C-N 124.263 3.211 . . . . 0.0 114.386 173.07 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' LYS . . . . . 0.446 ' HA ' ' HB2' ' A' ' 16' ' ' CYS . 97.5 mttt -163.56 155.01 16.85 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 127.443 2.297 . . . . 0.0 113.65 163.063 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' VAL . . . . . 0.779 HG12 ' H ' ' A' ' 4' ' ' THR . 2.8 t -142.22 179.16 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.149 -0.969 . . . . 0.0 112.142 -174.74 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' THR . . . . . 0.779 ' H ' HG12 ' A' ' 3' ' ' VAL . 0.1 OUTLIER -135.22 120.53 19.03 Favored 'General case' 0 C--O 1.161 -3.593 0 CA-C-O 124.49 2.091 . . . . 0.0 111.39 -175.536 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.2 t -101.56 136.96 30.98 Favored 'Isoleucine or valine' 0 C--N 1.383 2.026 0 CA-C-O 114.402 -2.713 . . . . 0.0 109.162 174.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.7 m -107.17 96.46 6.44 Favored 'General case' 0 C--N 1.377 1.764 0 C-N-CA 114.434 -2.906 . . . . 0.0 109.732 177.806 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' PHE . . . . . 0.539 ' CD2' ' CD2' ' A' ' 34' ' ' TYR 0.262 20.7 m-85 -82.47 84.95 7.02 Favored 'General case' 0 C--O 1.199 -1.563 0 C-N-CA 119.014 -1.074 . . . . 0.0 109.91 175.506 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 65.54 -144.26 46.91 Favored Glycine 0 C--O 1.216 -0.998 0 N-CA-C 107.312 -2.315 . . . . 0.0 107.312 177.446 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . 0.286 0.9 OUTLIER -63.42 -33.84 76.44 Favored 'General case' 0 C--O 1.179 -2.656 0 C-N-CA 127.992 2.517 . . . . 0.0 114.91 -171.15 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.5 m -89.42 136.67 32.9 Favored 'General case' 0 CA--C 1.427 -3.757 0 O-C-N 117.486 -3.259 . . . . 0.0 107.375 170.409 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . 0.254 0.0 OUTLIER -109.64 147.8 32.43 Favored 'General case' 1 CA--C 1.403 -4.684 1 N-CA-C 98.086 -4.783 . . . . 0.0 98.086 174.634 . . . . . . . . 5 3 . 1 . 001 ecloud build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.3 p -132.03 122.14 48.28 Favored 'Isoleucine or valine' 0 N--CA 1.392 -3.333 0 N-CA-C 102.58 -3.119 . . . . 0.0 102.58 -170.893 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -74.23 137.08 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.382 -3.867 3 N-CA-C 98.46 -4.644 . . . . 0.0 98.46 -175.774 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.1 t -124.03 125.08 25.88 Favored Pre-proline 0 N--CA 1.395 -3.225 0 N-CA-C 105.056 -2.202 . . . . 0.0 105.056 -176.912 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -77.97 136.84 15.16 Favored 'Trans proline' 0 N--CA 1.418 -2.958 0 N-CA-C 105.266 -2.628 . . . . 0.0 105.266 171.963 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' CYS . . . . . 0.446 ' HB2' ' HA ' ' A' ' 2' ' ' LYS . 86.1 m -127.03 -1.7 6.5 Favored 'General case' 0 CA--C 1.443 -3.141 0 CA-C-O 127.636 3.588 . . . . 0.0 111.037 -165.118 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 51.84 -99.53 0.04 OUTLIER Glycine 1 N--CA 1.394 -4.157 1 C-N-CA 131.221 4.248 . . . . 0.0 110.166 -170.916 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASP . . . . . 0.457 ' HA ' ' HB2' ' A' ' -1' ' ' SER . 6.0 t70 -107.28 -15.39 14.66 Favored 'General case' 0 N--CA 1.431 -1.396 0 N-CA-C 104.621 -2.363 . . . . 0.0 104.621 -167.986 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 76.48 7.09 85.18 Favored Glycine 0 C--N 1.365 2.141 0 C-N-CA 128.389 2.9 . . . . 0.0 115.429 -175.095 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -90.46 104.82 17.36 Favored 'General case' 0 N--CA 1.407 -2.608 0 N-CA-C 103.257 -2.868 . . . . 0.0 103.257 179.268 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' MET . . . . . 0.441 ' SD ' ' HB2' ' A' ' 25' ' ' SER 0.265 9.5 ttm 176.89 156.27 0.28 Allowed 'General case' 0 C--N 1.384 2.097 0 CA-C-N 111.507 -2.588 . . . . 0.0 109.025 -174.892 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -80.4 169.14 18.12 Favored 'General case' 0 C--O 1.197 -1.703 0 N-CA-C 103.493 -2.78 . . . . 0.0 103.493 169.712 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.9 t -49.95 -39.58 15.6 Favored 'Isoleucine or valine' 0 C--O 1.274 2.353 0 O-C-N 117.207 -3.433 . . . . 0.0 119.174 -177.778 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . 0.298 5.3 m-85 -53.04 -56.97 12.07 Favored 'General case' 0 CA--C 1.459 -2.524 1 N-CA-C 122.824 4.379 . . . . 0.0 122.824 -174.716 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' SER . . . . . 0.441 ' HB2' ' SD ' ' A' ' 21' ' ' MET . 0.4 OUTLIER -54.27 -37.38 64.65 Favored 'General case' 0 CA--C 1.456 -2.647 1 CA-C-N 126.218 4.099 . . . . 0.0 113.344 -176.779 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.7 tt -59.74 -48.62 80.96 Favored 'General case' 0 CA--C 1.439 -3.294 0 CA-C-N 121.519 1.963 . . . . 0.0 111.48 179.993 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . . . -55.99 -37.08 46.86 Favored 'Isoleucine or valine' 0 C--O 1.156 -3.832 0 N-CA-C 105.741 -1.948 . . . . 0.0 105.741 -178.866 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -64.76 -46.91 80.16 Favored 'General case' 0 CA--C 1.466 -2.284 0 C-N-CA 119.141 -1.023 . . . . 0.0 111.871 177.881 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -57.08 -47.9 79.89 Favored 'General case' 0 N--CA 1.418 -2.049 0 O-C-N 119.228 -2.17 . . . . 0.0 112.87 -176.921 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.08 -46.12 89.09 Favored 'General case' 1 CA--C 1.399 -4.854 0 CA-C-O 122.758 1.266 . . . . 0.0 112.419 177.567 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.4 t -59.69 -47.91 89.41 Favored 'Isoleucine or valine' 0 C--O 1.26 1.627 0 C-N-CA 127.116 2.166 . . . . 0.0 105.87 -172.746 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . 0.311 63.5 p -54.67 -38.43 66.93 Favored 'General case' 0 CA--C 1.474 -1.967 0 CA-C-N 112.8 -2.0 . . . . 0.0 108.853 171.349 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 44.6 mtt85 -79.34 -28.74 42.06 Favored 'General case' 1 CA--C 1.386 -5.334 0 CA-C-O 116.946 -1.502 . . . . 0.0 109.21 -177.948 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' TYR . . . . . 0.539 ' CD2' ' CD2' ' A' ' 7' ' ' PHE 0.271 1.0 OUTLIER -69.43 -40.55 77.16 Favored 'General case' 0 N--CA 1.416 -2.157 0 CA-C-N 123.588 2.903 . . . . 0.0 109.166 -179.298 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 0.322 81.6 mtm180 -69.4 -19.34 63.81 Favored 'General case' 0 N--CA 1.396 -3.163 0 C-N-CA 127.404 2.282 . . . . 0.0 113.352 175.597 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.5 tttt -90.99 -12.56 35.51 Favored 'General case' 0 N--CA 1.408 -2.545 0 O-C-N 119.378 -2.076 . . . . 0.0 109.5 177.773 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -85.99 -37.78 18.61 Favored 'General case' 0 N--CA 1.413 -2.323 0 O-C-N 126.368 2.293 . . . . 0.0 116.29 177.792 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' VAL . . . . . 0.405 ' O ' HG22 ' A' ' 38' ' ' VAL . 13.1 p -148.23 -3.24 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.212 0 CA-C-O 113.476 -3.154 . . . . 0.0 112.629 -172.641 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.93 130.91 43.21 Favored 'General case' 0 C--N 1.37 1.466 0 CA-C-N 122.834 2.561 . . . . 0.0 111.901 -175.497 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.8 pttp -89.41 -112.69 0.07 Allowed 'General case' 0 N--CA 1.41 -2.461 1 N-CA-C 98.562 -4.607 . . . . 0.0 98.562 169.674 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -82.4 148.17 58.36 Favored Pre-proline 0 C--N 1.363 1.183 0 O-C-N 119.723 -1.86 . . . . 0.0 107.387 -179.814 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -88.79 112.21 0.62 Allowed 'Trans proline' 0 CA--C 1.462 -3.118 0 CA-C-N 125.231 2.904 . . . . 0.0 106.521 -179.716 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.259 17.9 t-20 179.22 116.9 0.04 OUTLIER 'General case' 0 CA--C 1.485 -1.52 1 N-CA-C 98.561 -4.607 . . . . 0.0 98.561 -176.624 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 175.14 -164.72 0.03 OUTLIER 'General case' 0 N--CA 1.402 -2.834 1 N-CA-C 97.296 -5.076 . . . . 0.0 97.296 -168.104 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -126.81 164.0 22.33 Favored 'General case' 0 C--N 1.383 2.06 1 C-N-CA 134.142 4.977 . . . . 0.0 107.437 175.978 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ILE . . . . . 0.482 ' O ' HG22 ' A' ' 46' ' ' ILE . . . -145.3 49.43 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.426 -3.789 0 O-C-N 117.632 -3.167 . . . . 0.0 112.943 173.163 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.8 pm0 -104.45 94.53 5.38 Favored 'General case' 0 C--O 1.2 -1.529 0 N-CA-C 105.189 -2.152 . . . . 0.0 105.189 -176.069 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 1.8 t -80.78 126.13 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.383 -3.815 0 CA-C-N 110.465 -3.061 . . . . 0.0 108.938 171.205 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . 0.402 58.5 m-70 -81.39 -56.83 3.79 Favored 'General case' 0 C--O 1.273 2.315 0 O-C-N 116.745 -3.722 . . . . 0.0 115.738 179.49 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.85 162.84 16.17 Favored 'General case' 0 C--N 1.378 1.843 1 CA-C-N 126.379 4.172 . . . . 0.0 111.039 177.108 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.3 mp -95.51 144.93 25.58 Favored 'General case' 0 N--CA 1.397 -3.093 0 N-CA-C 104.311 -2.477 . . . . 0.0 104.311 -171.896 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' GLU . . . . . 0.443 ' O ' ' HA ' ' A' ' 75' ' ' LEU . 12.3 mm-40 -137.92 156.77 47.53 Favored 'General case' 0 CA--C 1.479 -1.782 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 177.298 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.2 165.46 21.49 Favored 'General case' 0 C--N 1.426 3.912 0 C-N-CA 131.039 3.735 . . . . 0.0 105.822 159.192 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -48.09 -55.16 10.57 Favored Glycine 0 C--N 1.353 1.524 0 O-C-N 117.218 -3.426 . . . . 0.0 118.26 -173.131 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -119.65 -3.01 10.36 Favored 'General case' 0 N--CA 1.405 -2.716 0 N-CA-C 102.561 -3.126 . . . . 0.0 102.561 170.193 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -78.3 140.39 23.66 Favored Glycine 0 C--N 1.386 3.332 0 N-CA-C 108.266 -1.933 . . . . 0.0 108.266 -174.008 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -57.55 -175.8 0.42 Allowed Glycine 0 CA--C 1.452 -3.888 1 C-N-CA 130.739 4.019 . . . . 0.0 114.989 -175.397 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . . . -72.49 127.49 34.52 Favored 'Isoleucine or valine' 0 CA--C 1.484 -1.558 0 CA-C-N 109.33 -3.435 . . . . 0.0 109.074 -171.8 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.97 130.23 34.66 Favored 'General case' 1 CA--C 1.365 -6.163 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 170.863 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -54.7 141.32 32.68 Favored 'General case' 0 CA--C 1.559 1.324 0 N-CA-C 104.715 -2.328 . . . . 0.0 104.715 174.342 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.42 34.68 3.51 Favored 'General case' 0 N--CA 1.384 -3.765 0 CA-C-N 109.114 -3.675 . . . . 0.0 111.196 -155.966 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -146.38 -37.49 0.24 Allowed 'General case' 0 CA--C 1.422 -3.977 0 CA-C-O 115.8 -2.047 . . . . 0.0 108.014 -179.449 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.58 166.55 0.44 Allowed 'General case' 0 CA--C 1.45 -2.894 0 CA-C-N 122.293 2.315 . . . . 0.0 117.069 -171.277 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . . . -65.69 111.39 1.49 Allowed 'Isoleucine or valine' 0 CA--C 1.439 -3.292 0 N-CA-C 100.539 -3.875 . . . . 0.0 100.539 174.837 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' LEU . . . . . 0.467 HD13 ' H ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -60.1 -48.97 79.5 Favored 'General case' 0 N--CA 1.417 -2.084 0 O-C-N 125.011 1.444 . . . . 0.0 107.58 -169.279 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 28.3 p -65.06 -13.61 58.4 Favored 'General case' 0 CA--C 1.483 -1.617 0 CA-C-O 116.047 -1.93 . . . . 0.0 110.212 -169.459 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -96.32 -9.75 29.43 Favored 'General case' 0 N--CA 1.43 -1.459 0 CA-C-N 124.69 3.404 . . . . 0.0 111.546 -179.626 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 31.3 t -100.87 -76.01 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.446 -3.025 0 N-CA-C 102.159 -3.274 . . . . 0.0 102.159 -176.296 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.7 142.07 55.12 Favored 'General case' 0 CA--C 1.465 -2.32 0 CA-C-N 109.893 -3.321 . . . . 0.0 111.995 171.535 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.38 -157.07 0.53 Allowed 'General case' 0 C--O 1.17 -3.096 0 C-N-CA 130.084 3.354 . . . . 0.0 103.69 -172.5 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -129.09 155.33 45.62 Favored 'General case' 0 CA--C 1.465 -2.319 0 CA-C-N 120.241 1.382 . . . . 0.0 113.506 -173.118 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.8 mmmm 67.26 41.01 2.62 Favored 'General case' 0 C--O 1.184 -2.375 0 CA-C-O 127.241 3.401 . . . . 0.0 109.803 177.547 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -104.15 147.49 27.38 Favored 'General case' 0 N--CA 1.426 -1.658 0 CA-C-N 112.218 -2.264 . . . . 0.0 110.136 -178.605 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 23.3 mtp180 -91.95 114.31 26.81 Favored 'General case' 0 C--O 1.254 1.303 0 O-C-N 125.191 1.557 . . . . 0.0 111.948 163.278 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' LEU . . . . . 0.488 ' N ' HD22 ' A' ' 75' ' ' LEU . 1.4 mm? -111.97 148.95 32.67 Favored 'General case' 0 CA--C 1.464 -2.353 0 C-N-CA 129.297 3.039 . . . . 0.0 105.71 169.558 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 6.8 m -101.88 166.05 2.63 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.096 0 O-C-N 127.534 3.021 . . . . 0.0 104.204 179.473 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ALA . . . . . 0.407 ' HB3' ' CD1' ' A' ' 7' ' ' PHE . . . -134.64 122.71 22.67 Favored 'General case' 0 N--CA 1.4 -2.969 1 O-C-N 129.429 4.206 . . . . 0.0 111.164 173.036 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.6 t -94.28 111.79 25.88 Favored 'Isoleucine or valine' 0 CA--C 1.447 -2.99 1 C-N-CA 138.476 6.71 . . . . 0.0 112.615 175.308 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . 0.447 15.6 p90 -144.4 171.67 14.02 Favored 'General case' 0 N--CA 1.397 -3.111 0 C-N-CA 129.098 2.959 . . . . 0.0 112.117 -158.321 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . 0.261 7.9 m-20 -129.68 144.72 51.42 Favored 'General case' 0 CA--C 1.492 -1.273 1 N-CA-C 99.707 -4.183 . . . . 0.0 99.707 149.422 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.67 7.25 0.07 Allowed 'General case' 0 CA--C 1.47 -2.111 0 CA-C-O 123.008 1.385 . . . . 0.0 108.443 178.159 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 . . . . . 0 N--CA 1.502 2.14 0 CA-C-O 123.452 1.596 . . . . 0.0 108.963 -174.553 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' -1' ' ' SER . . . . . 0.457 ' HB2' ' HA ' ' A' ' 18' ' ' ASP 0.261 14.8 m . . . . . 0 CA--C 1.476 -1.872 0 CA-C-O 121.321 0.582 . . . . 0.0 110.358 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -139.82 -25.86 0.81 Allowed 'General case' 0 C--N 1.397 2.637 0 CA-C-O 114.588 -2.625 . . . . 0.0 106.639 176.415 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -58.92 147.85 32.59 Favored 'General case' 0 CA--C 1.563 1.471 0 CA-C-N 124.263 3.211 . . . . 0.0 114.386 173.07 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.446 ' HA ' ' HB2' ' A' ' 16' ' ' CYS . 97.5 mttt -163.56 155.01 16.85 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 127.443 2.297 . . . . 0.0 113.65 163.063 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.779 HG12 ' H ' ' A' ' 4' ' ' THR . 2.8 t -142.22 179.16 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.149 -0.969 . . . . 0.0 112.142 -174.74 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' THR . . . . . 0.779 ' H ' HG12 ' A' ' 3' ' ' VAL . 0.1 OUTLIER -135.22 120.53 19.03 Favored 'General case' 0 C--O 1.161 -3.593 0 CA-C-O 124.49 2.091 . . . . 0.0 111.39 -175.536 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.2 t -101.56 136.96 30.98 Favored 'Isoleucine or valine' 0 C--N 1.383 2.026 0 CA-C-O 114.402 -2.713 . . . . 0.0 109.162 174.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.7 m -107.17 96.46 6.44 Favored 'General case' 0 C--N 1.377 1.764 0 C-N-CA 114.434 -2.906 . . . . 0.0 109.732 177.806 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.539 ' CD2' ' CD2' ' A' ' 34' ' ' TYR 0.262 20.7 m-85 -82.47 84.95 7.02 Favored 'General case' 0 C--O 1.199 -1.563 0 C-N-CA 119.014 -1.074 . . . . 0.0 109.91 175.506 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 65.54 -144.26 46.91 Favored Glycine 0 C--O 1.216 -0.998 0 N-CA-C 107.312 -2.315 . . . . 0.0 107.312 177.446 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . 0.286 0.9 OUTLIER -63.42 -33.84 76.44 Favored 'General case' 0 C--O 1.179 -2.656 0 C-N-CA 127.992 2.517 . . . . 0.0 114.91 -171.15 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.5 m -89.42 136.67 32.9 Favored 'General case' 0 CA--C 1.427 -3.757 0 O-C-N 117.486 -3.259 . . . . 0.0 107.375 170.409 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . 0.254 0.0 OUTLIER -109.64 147.8 32.43 Favored 'General case' 1 CA--C 1.403 -4.684 1 N-CA-C 98.086 -4.783 . . . . 0.0 98.086 174.634 . . . . . . . . 5 3 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.3 p -132.03 122.14 48.28 Favored 'Isoleucine or valine' 0 N--CA 1.392 -3.333 0 N-CA-C 102.58 -3.119 . . . . 0.0 102.58 -170.893 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -74.23 137.08 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.382 -3.867 3 N-CA-C 98.46 -4.644 . . . . 0.0 98.46 -175.774 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.1 t -124.03 125.08 25.88 Favored Pre-proline 0 N--CA 1.395 -3.225 0 N-CA-C 105.056 -2.202 . . . . 0.0 105.056 -176.912 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -77.97 136.84 15.16 Favored 'Trans proline' 0 N--CA 1.418 -2.958 0 N-CA-C 105.266 -2.628 . . . . 0.0 105.266 171.963 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.446 ' HB2' ' HA ' ' A' ' 2' ' ' LYS . 86.1 m -127.03 -1.7 6.5 Favored 'General case' 0 CA--C 1.443 -3.141 0 CA-C-O 127.636 3.588 . . . . 0.0 111.037 -165.118 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 51.84 -99.53 0.04 OUTLIER Glycine 1 N--CA 1.394 -4.157 1 C-N-CA 131.221 4.248 . . . . 0.0 110.166 -170.916 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.457 ' HA ' ' HB2' ' A' ' -1' ' ' SER . 6.0 t70 -107.28 -15.39 14.66 Favored 'General case' 0 N--CA 1.431 -1.396 0 N-CA-C 104.621 -2.363 . . . . 0.0 104.621 -167.986 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 76.48 7.09 85.18 Favored Glycine 0 C--N 1.365 2.141 0 C-N-CA 128.389 2.9 . . . . 0.0 115.429 -175.095 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -90.46 104.82 17.36 Favored 'General case' 0 N--CA 1.407 -2.608 0 N-CA-C 103.257 -2.868 . . . . 0.0 103.257 179.268 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' MET . . . . . 0.441 ' SD ' ' HB2' ' A' ' 25' ' ' SER 0.265 9.5 ttm 176.89 156.27 0.28 Allowed 'General case' 0 C--N 1.384 2.097 0 CA-C-N 111.507 -2.588 . . . . 0.0 109.025 -174.892 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -80.4 169.14 18.12 Favored 'General case' 0 C--O 1.197 -1.703 0 N-CA-C 103.493 -2.78 . . . . 0.0 103.493 169.712 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.9 t -49.95 -39.58 15.6 Favored 'Isoleucine or valine' 0 C--O 1.274 2.353 0 O-C-N 117.207 -3.433 . . . . 0.0 119.174 -177.778 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . 0.298 5.3 m-85 -53.04 -56.97 12.07 Favored 'General case' 0 CA--C 1.459 -2.524 1 N-CA-C 122.824 4.379 . . . . 0.0 122.824 -174.716 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' SER . . . . . 0.441 ' HB2' ' SD ' ' A' ' 21' ' ' MET . 0.4 OUTLIER -54.27 -37.38 64.65 Favored 'General case' 0 CA--C 1.456 -2.647 1 CA-C-N 126.218 4.099 . . . . 0.0 113.344 -176.779 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.7 tt -59.74 -48.62 80.96 Favored 'General case' 0 CA--C 1.439 -3.294 0 CA-C-N 121.519 1.963 . . . . 0.0 111.48 179.993 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . . . -55.99 -37.08 46.86 Favored 'Isoleucine or valine' 0 C--O 1.156 -3.832 0 N-CA-C 105.741 -1.948 . . . . 0.0 105.741 -178.866 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -64.76 -46.91 80.16 Favored 'General case' 0 CA--C 1.466 -2.284 0 C-N-CA 119.141 -1.023 . . . . 0.0 111.871 177.881 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -57.08 -47.9 79.89 Favored 'General case' 0 N--CA 1.418 -2.049 0 O-C-N 119.228 -2.17 . . . . 0.0 112.87 -176.921 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.08 -46.12 89.09 Favored 'General case' 1 CA--C 1.399 -4.854 0 CA-C-O 122.758 1.266 . . . . 0.0 112.419 177.567 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.4 t -59.69 -47.91 89.41 Favored 'Isoleucine or valine' 0 C--O 1.26 1.627 0 C-N-CA 127.116 2.166 . . . . 0.0 105.87 -172.746 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . 0.311 63.5 p -54.67 -38.43 66.93 Favored 'General case' 0 CA--C 1.474 -1.967 0 CA-C-N 112.8 -2.0 . . . . 0.0 108.853 171.349 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 44.6 mtt85 -79.34 -28.74 42.06 Favored 'General case' 1 CA--C 1.386 -5.334 0 CA-C-O 116.946 -1.502 . . . . 0.0 109.21 -177.948 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.539 ' CD2' ' CD2' ' A' ' 7' ' ' PHE 0.271 1.0 OUTLIER -69.43 -40.55 77.16 Favored 'General case' 0 N--CA 1.416 -2.157 0 CA-C-N 123.588 2.903 . . . . 0.0 109.166 -179.298 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 0.322 81.6 mtm180 -69.4 -19.34 63.81 Favored 'General case' 0 N--CA 1.396 -3.163 0 C-N-CA 127.404 2.282 . . . . 0.0 113.352 175.597 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.5 tttt -90.99 -12.56 35.51 Favored 'General case' 0 N--CA 1.408 -2.545 0 O-C-N 119.378 -2.076 . . . . 0.0 109.5 177.773 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -85.99 -37.78 18.61 Favored 'General case' 0 N--CA 1.413 -2.323 0 O-C-N 126.368 2.293 . . . . 0.0 116.29 177.792 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.405 ' O ' HG22 ' A' ' 38' ' ' VAL . 13.1 p -148.23 -3.24 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.212 0 CA-C-O 113.476 -3.154 . . . . 0.0 112.629 -172.641 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.93 130.91 43.21 Favored 'General case' 0 C--N 1.37 1.466 0 CA-C-N 122.834 2.561 . . . . 0.0 111.901 -175.497 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.8 pttp -89.41 -112.69 0.07 Allowed 'General case' 0 N--CA 1.41 -2.461 1 N-CA-C 98.562 -4.607 . . . . 0.0 98.562 169.674 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -82.4 148.17 58.36 Favored Pre-proline 0 C--N 1.363 1.183 0 O-C-N 119.723 -1.86 . . . . 0.0 107.387 -179.814 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -88.79 112.21 0.62 Allowed 'Trans proline' 0 CA--C 1.462 -3.118 0 CA-C-N 125.231 2.904 . . . . 0.0 106.521 -179.716 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.259 17.9 t-20 179.22 116.9 0.04 OUTLIER 'General case' 0 CA--C 1.485 -1.52 1 N-CA-C 98.561 -4.607 . . . . 0.0 98.561 -176.624 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 175.14 -164.72 0.03 OUTLIER 'General case' 0 N--CA 1.402 -2.834 1 N-CA-C 97.296 -5.076 . . . . 0.0 97.296 -168.104 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -126.81 164.0 22.33 Favored 'General case' 0 C--N 1.383 2.06 1 C-N-CA 134.142 4.977 . . . . 0.0 107.437 175.978 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.482 HG22 ' O ' ' A' ' 46' ' ' ILE . . . -145.3 49.43 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.426 -3.789 0 O-C-N 117.632 -3.167 . . . . 0.0 112.943 173.163 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.8 pm0 -104.45 94.53 5.38 Favored 'General case' 0 C--O 1.2 -1.529 0 N-CA-C 105.189 -2.152 . . . . 0.0 105.189 -176.069 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 1.8 t -80.78 126.13 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.383 -3.815 0 CA-C-N 110.465 -3.061 . . . . 0.0 108.938 171.205 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . 0.402 58.5 m-70 -81.39 -56.83 3.79 Favored 'General case' 0 C--O 1.273 2.315 0 O-C-N 116.745 -3.722 . . . . 0.0 115.738 179.49 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.85 162.84 16.17 Favored 'General case' 0 C--N 1.378 1.843 1 CA-C-N 126.379 4.172 . . . . 0.0 111.039 177.108 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.3 mp -95.51 144.93 25.58 Favored 'General case' 0 N--CA 1.397 -3.093 0 N-CA-C 104.311 -2.477 . . . . 0.0 104.311 -171.896 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.443 ' O ' ' HA ' ' A' ' 75' ' ' LEU . 12.3 mm-40 -137.92 156.77 47.53 Favored 'General case' 0 CA--C 1.479 -1.782 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 177.298 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.2 165.46 21.49 Favored 'General case' 0 C--N 1.426 3.912 0 C-N-CA 131.039 3.735 . . . . 0.0 105.822 159.192 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -48.09 -55.16 10.57 Favored Glycine 0 C--N 1.353 1.524 0 O-C-N 117.218 -3.426 . . . . 0.0 118.26 -173.131 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -119.65 -3.01 10.36 Favored 'General case' 0 N--CA 1.405 -2.716 0 N-CA-C 102.561 -3.126 . . . . 0.0 102.561 170.193 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -78.3 140.39 23.66 Favored Glycine 0 C--N 1.386 3.332 0 N-CA-C 108.266 -1.933 . . . . 0.0 108.266 -174.008 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -57.55 -175.8 0.42 Allowed Glycine 0 CA--C 1.452 -3.888 1 C-N-CA 130.739 4.019 . . . . 0.0 114.989 -175.397 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . . . -72.49 127.49 34.52 Favored 'Isoleucine or valine' 0 CA--C 1.484 -1.558 0 CA-C-N 109.33 -3.435 . . . . 0.0 109.074 -171.8 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.97 130.23 34.66 Favored 'General case' 1 CA--C 1.365 -6.163 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 170.863 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -54.7 141.32 32.68 Favored 'General case' 0 CA--C 1.559 1.324 0 N-CA-C 104.715 -2.328 . . . . 0.0 104.715 174.342 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.42 34.68 3.51 Favored 'General case' 0 N--CA 1.384 -3.765 0 CA-C-N 109.114 -3.675 . . . . 0.0 111.196 -155.966 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -146.38 -37.49 0.24 Allowed 'General case' 0 CA--C 1.422 -3.977 0 CA-C-O 115.8 -2.047 . . . . 0.0 108.014 -179.449 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.58 166.55 0.44 Allowed 'General case' 0 CA--C 1.45 -2.894 0 CA-C-N 122.293 2.315 . . . . 0.0 117.069 -171.277 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . . . -65.69 111.39 1.49 Allowed 'Isoleucine or valine' 0 CA--C 1.439 -3.292 0 N-CA-C 100.539 -3.875 . . . . 0.0 100.539 174.837 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.467 HD13 ' H ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -60.1 -48.97 79.5 Favored 'General case' 0 N--CA 1.417 -2.084 0 O-C-N 125.011 1.444 . . . . 0.0 107.58 -169.279 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 28.3 p -65.06 -13.61 58.4 Favored 'General case' 0 CA--C 1.483 -1.617 0 CA-C-O 116.047 -1.93 . . . . 0.0 110.212 -169.459 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -96.32 -9.75 29.43 Favored 'General case' 0 N--CA 1.43 -1.459 0 CA-C-N 124.69 3.404 . . . . 0.0 111.546 -179.626 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 31.3 t -100.87 -76.01 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.446 -3.025 0 N-CA-C 102.159 -3.274 . . . . 0.0 102.159 -176.296 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.7 142.07 55.12 Favored 'General case' 0 CA--C 1.465 -2.32 0 CA-C-N 109.893 -3.321 . . . . 0.0 111.995 171.535 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.38 -157.07 0.53 Allowed 'General case' 0 C--O 1.17 -3.096 0 C-N-CA 130.084 3.354 . . . . 0.0 103.69 -172.5 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -129.09 155.33 45.62 Favored 'General case' 0 CA--C 1.465 -2.319 0 CA-C-N 120.241 1.382 . . . . 0.0 113.506 -173.118 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.8 mmmm 67.26 41.01 2.62 Favored 'General case' 0 C--O 1.184 -2.375 0 CA-C-O 127.241 3.401 . . . . 0.0 109.803 177.547 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -104.15 147.49 27.38 Favored 'General case' 0 N--CA 1.426 -1.658 0 CA-C-N 112.218 -2.264 . . . . 0.0 110.136 -178.605 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 23.3 mtp180 -91.95 114.31 26.81 Favored 'General case' 0 C--O 1.254 1.303 0 O-C-N 125.191 1.557 . . . . 0.0 111.948 163.278 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.488 ' N ' HD22 ' A' ' 75' ' ' LEU . 1.4 mm? -111.97 148.95 32.67 Favored 'General case' 0 CA--C 1.464 -2.353 0 C-N-CA 129.297 3.039 . . . . 0.0 105.71 169.558 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 6.8 m -101.88 166.05 2.63 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.096 0 O-C-N 127.534 3.021 . . . . 0.0 104.204 179.473 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.407 ' HB3' ' CD1' ' A' ' 7' ' ' PHE . . . -134.64 122.71 22.67 Favored 'General case' 0 N--CA 1.4 -2.969 1 O-C-N 129.429 4.206 . . . . 0.0 111.164 173.036 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.6 t -94.28 111.79 25.88 Favored 'Isoleucine or valine' 0 CA--C 1.447 -2.99 1 C-N-CA 138.476 6.71 . . . . 0.0 112.615 175.308 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . 0.447 15.6 p90 -144.4 171.67 14.02 Favored 'General case' 0 N--CA 1.397 -3.111 0 C-N-CA 129.098 2.959 . . . . 0.0 112.117 -158.321 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . 0.261 7.9 m-20 -129.68 144.72 51.42 Favored 'General case' 0 CA--C 1.492 -1.273 1 N-CA-C 99.707 -4.183 . . . . 0.0 99.707 149.422 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.67 7.25 0.07 Allowed 'General case' 0 CA--C 1.47 -2.111 0 CA-C-O 123.008 1.385 . . . . 0.0 108.443 178.159 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 . . . . . 0 N--CA 1.502 2.14 0 CA-C-O 123.452 1.596 . . . . 0.0 108.963 -174.553 . . . . . . . . 0 0 . 1 stop_ save_