data_6sbs_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 6sbs _Structure_validation_residue.Date_analyzed 2019-07-26 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 ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 CA--C 1.537 0.451 0 N-CA-C 109.019 -0.734 . . . . 95.12 109.019 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 28.5 mm -79.89 -45.18 22.98 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.412 0 C-N-CA 120.545 -0.462 . . . . 82.66 110.391 174.971 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 65.0 mt -103.89 112.42 37.35 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 N-CA-C 107.462 -1.311 . . . . 76.73 107.462 175.518 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LYS . . . . . 0.494 ' O ' ' NE2' ' A' ' 22' ' ' GLN . 2.9 mppt? -87.16 117.5 25.95 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 108.185 -1.043 . . . . 88.61 108.185 -179.753 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 28.2 mm -83.58 118.87 31.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 107.247 -1.39 . . . . 73.89 107.247 169.791 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -100.91 99.62 10.13 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 106.801 -1.555 . . . . 83.88 106.801 -178.458 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.7 mt -76.76 -17.79 58.85 Favored 'General case' 0 C--O 1.239 0.515 0 N-CA-C 113.522 0.934 . . . . 77.65 113.522 -166.686 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -109.2 -0.93 19.02 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 119.194 0.907 . . . . 94.56 113.28 175.121 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.9 t -56.29 157.35 4.95 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 107.509 -1.293 . . . . 76.0 107.509 162.823 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -98.08 -2.72 39.5 Favored 'General case' 0 CA--C 1.51 -0.579 0 N-CA-C 112.766 0.654 . . . . 97.27 112.766 174.08 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.9 m -63.09 127.62 91.15 Favored Pre-proline 0 C--O 1.245 0.827 0 C-N-CA 119.519 -0.873 . . . . 66.93 108.977 164.68 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -54.02 145.75 51.11 Favored 'Trans proline' 0 C--N 1.331 -0.382 0 C-N-CA 120.283 0.655 . . . . 63.69 110.941 174.65 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.3 mm -51.64 -52.65 20.28 Favored 'Isoleucine or valine' 0 C--N 1.34 0.183 0 CA-C-N 115.312 -0.858 . . . . 60.33 110.989 -177.378 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -55.68 -36.02 66.65 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 119.457 -0.897 . . . . 63.62 111.54 -176.415 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.3 tptp -71.89 -39.75 69.36 Favored 'General case' 0 C--N 1.344 0.341 0 N-CA-C 112.027 0.381 . . . . 71.99 112.027 -179.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -61.71 -36.73 81.77 Favored 'General case' 0 C--O 1.239 0.517 0 C-N-CA 118.632 -1.227 . . . . 63.78 112.405 171.301 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 43.4 mt -60.36 -55.81 21.83 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 C-N-CA 119.609 -0.836 . . . . 55.32 110.207 174.084 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.86 -48.31 75.75 Favored 'General case' 0 C--O 1.239 0.51 0 O-C-N 121.918 -0.489 . . . . 58.05 112.297 178.114 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -54.75 -45.02 74.1 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 118.762 -1.175 . . . . 73.32 110.099 -178.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLN . . . . . 0.494 ' NE2' ' O ' ' A' ' 6' ' ' LYS . 55.5 mt-30 -72.57 -32.66 66.2 Favored 'General case' 0 C--O 1.237 0.43 0 N-CA-C 111.911 0.337 . . . . 72.5 111.911 -175.321 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.9 mt -62.73 -38.54 81.95 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 C-N-CA 118.684 -1.206 . . . . 60.6 110.059 173.086 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 44.9 mt -65.35 -42.1 92.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 C-N-CA 120.285 -0.566 . . . . 66.82 110.644 175.667 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -59.18 -44.08 92.19 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 119.598 -0.841 . . . . 83.92 110.768 176.606 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 50.9 mt -65.69 -40.46 92.35 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 120.626 -0.43 . . . . 70.52 110.891 179.621 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 88.6 mt -61.66 -43.58 97.32 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 C-N-CA 117.969 -1.493 . . . . 76.49 110.271 172.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.17 -50.08 74.76 Favored 'General case' 0 C--O 1.237 0.434 0 O-C-N 121.973 -0.454 . . . . 67.32 111.515 177.475 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -63.72 -11.9 30.13 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 113.229 0.826 . . . . 95.23 113.229 175.564 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.65 6.71 87.06 Favored Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 119.014 0.824 . . . . 72.52 114.755 -178.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -67.09 -22.67 65.82 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 118.017 0.908 . . . . 101.33 111.404 171.381 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.0 mt -119.07 93.95 4.27 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 107.73 -1.211 . . . . 79.43 107.73 171.199 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.5 mmtt -69.23 164.54 47.69 Favored Pre-proline 0 N--CA 1.451 -0.378 0 CA-C-O 120.964 0.411 . . . . 93.16 110.552 177.63 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -62.69 156.03 55.53 Favored 'Trans proline' 0 C--N 1.332 -0.336 0 C-N-CA 120.692 0.928 . . . . 85.05 113.14 176.728 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.18 -25.91 1.03 Allowed Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 114.919 -1.037 . . . . 74.95 113.24 -174.93 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -46.64 110.08 0.25 Allowed 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 109.086 -0.709 . . . . 88.6 109.086 175.515 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' LYS . . . . . 0.549 ' CD ' ' NH2' ' A' ' 74' ' ' ARG . 0.1 OUTLIER -60.41 148.15 38.37 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 108.693 -0.855 . . . . 87.26 108.693 171.966 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.7 mp -95.09 163.33 22.18 Favored Pre-proline 0 C--N 1.291 -1.935 0 CA-C-N 115.468 -0.787 . . . . 73.99 109.205 178.69 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -61.68 157.96 39.67 Favored 'Trans proline' 0 C--N 1.331 -0.352 0 CA-C-O 122.311 0.879 . . . . 63.96 109.991 171.243 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.6 t -51.86 155.92 1.62 Allowed 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.948 -1.024 . . . . 80.54 111.199 170.085 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 45.7 mt -55.09 -44.7 75.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 C-N-CA 118.377 -1.329 . . . . 63.86 109.547 166.311 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.9 ttm105 -69.49 -42.1 75.25 Favored 'General case' 0 C--O 1.238 0.456 0 O-C-N 121.834 -0.541 . . . . 76.08 112.056 179.766 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.13 -32.27 73.78 Favored 'General case' 0 C--N 1.345 0.377 0 C-N-CA 119.534 -0.866 . . . . 74.68 111.587 178.69 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.5 tp -82.24 -36.69 26.92 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 118.42 -1.312 . . . . 59.82 111.84 -177.79 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.59 -53.7 54.53 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 110.038 -0.356 . . . . 63.3 110.038 178.401 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.6 m -61.33 -41.91 97.81 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 116.179 -0.464 . . . . 77.03 112.096 178.374 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 29.5 ttm -48.37 -41.07 27.66 Favored 'General case' 0 C--O 1.24 0.594 0 C-N-CA 119.629 -0.828 . . . . 66.78 111.498 172.081 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.6 mt -95.04 -15.51 23.41 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 114.034 1.124 . . . . 65.14 114.034 -171.132 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 84.26 30.41 28.06 Favored Glycine 0 C--N 1.333 0.391 0 CA-C-N 118.528 0.604 . . . . 60.79 113.863 -172.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.4 t -128.15 155.84 39.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 107.935 -1.135 . . . . 65.12 107.935 -163.654 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -78.2 150.85 33.43 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 118.254 -1.379 . . . . 69.55 110.809 177.567 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.5 mtm -56.86 -26.79 59.37 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 119.923 -0.711 . . . . 63.88 112.297 -178.189 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.5 tt -62.46 -49.2 76.38 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.952 0.406 . . . . 61.51 111.079 -177.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.1 m -59.06 -43.69 91.75 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 116.688 -0.233 . . . . 61.79 110.945 177.152 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.0 t -66.39 -41.71 89.27 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 C-N-CA 119.071 -1.052 . . . . 56.9 110.552 176.045 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ASN . . . . . 0.561 ' ND2' ' O ' ' A' ' 201' ' ' HOH . 2.2 t-20 -49.11 -55.84 10.99 Favored 'General case' 0 C--O 1.238 0.498 0 O-C-N 121.668 -0.645 . . . . 66.68 111.198 173.307 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.3 mttm -54.63 -42.49 71.3 Favored 'General case' 0 C--O 1.238 0.471 0 N-CA-C 112.401 0.519 . . . . 78.66 112.401 176.097 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.4 -51.65 68.58 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 111.939 0.348 . . . . 60.04 111.939 176.297 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -64.26 -34.05 77.23 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 120.312 -0.555 . . . . 58.57 111.632 -176.803 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -71.81 -39.73 69.63 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 122.239 -0.288 . . . . 74.41 111.503 178.628 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -55.6 -45.81 77.4 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 119.912 -0.715 . . . . 72.5 110.243 173.491 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.8 mt -65.23 -25.92 67.89 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 120.043 -0.663 . . . . 67.42 112.067 178.149 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.5 t -76.7 -47.31 29.03 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 C-N-CA 118.897 -1.121 . . . . 73.8 110.448 -179.318 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -63.49 -40.4 97.0 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 111.842 0.312 . . . . 73.91 111.842 178.605 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -68.0 -17.55 64.46 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 118.747 -0.644 . . . . 78.41 112.621 174.244 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.4 34.29 10.66 Favored Glycine 0 N--CA 1.449 -0.474 0 N-CA-C 117.484 1.754 . . . . 65.1 117.484 175.709 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -109.55 -17.25 13.78 Favored 'General case' 0 C--O 1.239 0.545 0 N-CA-C 114.439 1.274 . . . . 67.56 114.439 175.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 8.2 pt -141.36 162.27 21.52 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 N-CA-C 108.38 -0.97 . . . . 69.55 108.38 173.846 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 12.7 p -144.51 152.9 15.09 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 N-CA-C 108.249 -1.019 . . . . 76.71 108.249 -173.568 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 96.7 t -93.29 126.81 45.67 Favored 'Isoleucine or valine' 0 C--O 1.238 0.485 0 CA-C-N 115.628 -0.715 . . . . 78.11 109.997 -178.129 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -114.82 87.76 2.72 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 107.119 -1.437 . . . . 86.81 107.119 -179.036 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? 39.93 76.79 0.06 Allowed 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 122.63 1.205 . . . . 101.84 110.407 -166.312 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 40.3 mtm105 67.57 9.63 7.18 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 114.773 1.397 . . . . 88.4 114.773 170.477 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ARG . . . . . 0.549 ' NH2' ' CD ' ' A' ' 37' ' ' LYS . 0.7 OUTLIER -121.01 143.65 48.93 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 119.667 1.121 . . . . 92.61 110.513 170.017 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -94.65 130.24 41.2 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 122.911 0.484 . . . . 77.46 111.499 -170.573 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 50.2 t -133.84 140.93 45.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 N-CA-C 108.693 -0.854 . . . . 73.05 108.693 -170.238 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 11.3 t -66.66 135.99 27.52 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 N-CA-C 108.846 -0.798 . . . . 78.6 108.846 172.759 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -83.91 -151.28 0.12 Allowed 'General case' 0 C--O 1.237 0.427 0 N-CA-C 107.543 -1.28 . . . . 111.82 107.543 -178.036 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.8 p -151.54 10.73 0.58 Allowed 'General case' 0 C--N 1.352 0.699 0 N-CA-C 115.065 1.506 . . . . 111.58 115.065 -153.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -155.25 176.61 12.34 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-N 121.491 1.95 . . . . 124.8 111.937 -166.711 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 12.6 m . . . . . 0 C--O 1.243 0.762 0 N-CA-C 118.175 2.657 . . . . 118.63 118.175 160.556 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 44.1 p-90 . . . . . 0 N--CA 1.478 0.964 0 CA-C-O 121.054 0.454 . . . . 90.03 112.146 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.3 mtt85 -78.8 -47.24 17.09 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 116.052 -0.522 . . . . 101.47 111.027 177.396 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -52.29 -33.72 43.42 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.241 -0.584 . . . . 92.18 110.331 170.227 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 6.6 ttt -60.27 -49.9 75.77 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 119.539 -0.864 . . . . 75.12 109.949 176.841 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 15.3 tp -55.0 -56.87 14.95 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 120.881 0.372 . . . . 81.36 111.346 175.47 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 30.5 mtm180 -50.49 -33.57 21.85 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 112.75 0.648 . . . . 95.82 112.75 -177.22 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.6 m -80.36 -20.77 11.69 Favored 'Isoleucine or valine' 0 C--O 1.242 0.705 0 C-N-CA 117.844 -1.542 . . . . 73.4 111.693 -176.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ILE . . . . . 0.438 ' O ' ' N ' ' A' ' 96' ' ' ALA . 3.3 pt -91.66 -32.93 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 118.711 -1.196 . . . . 83.37 111.131 -178.281 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 14.7 mm -57.19 -55.05 22.85 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.402 0 C-N-CA 119.82 -0.752 . . . . 82.92 109.244 167.512 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -50.62 -50.4 54.31 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.953 -0.567 . . . . 90.81 111.605 175.204 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -61.88 -32.4 72.76 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 119.063 -1.055 . . . . 78.07 110.678 173.949 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 92' ' ' ILE . . . -67.99 -61.73 1.73 Allowed 'General case' 0 C--O 1.238 0.462 0 C-N-CA 119.907 -0.717 . . . . 82.53 110.673 -179.348 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.3 mt -61.11 -34.36 74.84 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.281 -0.418 . . . . 98.62 111.509 -174.494 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.48 6.31 0.32 Allowed 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.696 0.999 . . . . 88.07 113.696 178.039 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.239 0.519 0 CA-C-N 119.721 1.146 . . . . 98.84 110.986 178.274 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 26.5 mt . . . . . 0 N--CA 1.481 1.079 0 N-CA-C 113.844 1.053 . . . . 90.11 113.844 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 25.0 mmtm -121.1 135.18 55.23 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.835 -0.802 . . . . 92.2 108.835 -175.699 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 13.3 mm -93.23 113.37 27.99 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 N-CA-C 108.165 -1.05 . . . . 82.76 108.165 -179.562 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -81.29 101.13 9.56 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 107.195 -1.409 . . . . 78.52 107.195 171.942 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 7.3 mt -65.78 -34.26 77.76 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.22 -0.992 . . . . 90.84 112.278 -172.02 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -86.3 -5.38 59.19 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 114.483 1.29 . . . . 92.49 114.483 -173.859 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 27.6 t -73.74 154.28 39.67 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 118.819 -1.152 . . . . 83.84 110.436 -178.746 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 7.9 mmpt? -78.01 -14.19 59.6 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.46 -0.791 . . . . 88.06 112.308 173.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 85.3 m -64.69 135.96 96.58 Favored Pre-proline 0 C--N 1.328 -0.364 0 C-N-CA 119.695 -0.802 . . . . 74.1 109.863 172.041 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -63.13 152.7 78.3 Favored 'Trans proline' 0 C--N 1.331 -0.385 0 CA-C-O 122.419 0.925 . . . . 67.62 112.847 178.962 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 25.0 mm -57.11 -53.36 44.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 CA-C-N 114.593 -1.185 . . . . 69.4 111.036 -179.34 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -55.76 -41.62 74.27 Favored 'General case' 0 C--O 1.236 0.391 0 O-C-N 121.647 -0.658 . . . . 70.16 110.445 -179.14 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 1.9 tptm -63.23 -43.17 98.84 Favored 'General case' 0 C--O 1.234 0.259 0 O-C-N 122.262 -0.274 . . . . 66.66 110.877 178.936 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -54.63 -54.6 39.4 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 120.92 0.39 . . . . 70.09 111.435 173.856 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 81.3 mt -53.92 -49.92 56.45 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 C-N-CA 120.539 -0.464 . . . . 68.76 110.553 177.958 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.49 -52.98 63.27 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.152 0.501 . . . . 69.73 111.441 -175.673 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -57.9 -44.54 86.85 Favored 'General case' 0 C--O 1.24 0.574 0 C-N-CA 120.211 -0.596 . . . . 74.68 111.103 -177.838 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -60.77 -47.77 84.81 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 119.741 -0.783 . . . . 74.34 111.39 -179.269 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 92.3 mt -57.99 -48.85 83.12 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 C-N-CA 120.465 -0.494 . . . . 67.38 110.811 175.809 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 81.2 mt -51.51 -41.99 28.26 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 CA-C-O 121.181 0.515 . . . . 69.05 110.29 176.179 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -53.66 -48.79 69.11 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 120.475 -0.49 . . . . 100.29 110.561 175.8 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 10.0 mt -61.31 -45.73 93.25 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 120.46 -0.496 . . . . 69.33 111.211 179.517 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 62.6 mt -58.47 -49.84 80.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 C-N-CA 119.081 -1.048 . . . . 76.28 109.698 176.754 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.52 -48.63 80.17 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 120.238 -0.585 . . . . 79.11 111.619 -179.973 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 23.4 mttp -72.63 19.42 0.08 Allowed 'General case' 0 C--O 1.233 0.231 0 O-C-N 121.61 -0.681 . . . . 91.6 112.312 -176.906 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 64.41 -17.95 0.11 Allowed Glycine 0 C--N 1.334 0.466 0 N-CA-C 116.181 1.232 . . . . 81.11 116.181 -177.595 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.77 -17.81 51.22 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 119.064 1.432 . . . . 98.21 112.654 -178.185 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 mt -129.23 141.95 50.99 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 124.943 1.297 . . . . 72.5 107.743 171.699 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -153.81 173.44 4.68 Favored Pre-proline 0 C--N 1.311 -1.077 1 C-N-CA 111.56 -4.056 . . . . 103.78 114.957 -165.572 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_exo -58.38 134.77 63.59 Favored 'Trans proline' 0 C--N 1.326 -0.625 0 C-N-CA 120.302 0.668 . . . . 71.12 112.152 -169.411 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.83 -22.64 10.94 Favored Glycine 0 N--CA 1.435 -1.377 0 CA-C-N 115.048 -0.978 . . . . 66.26 114.421 -173.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -61.92 157.39 18.57 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 118.883 -1.127 . . . . 78.75 110.577 178.621 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -118.65 155.65 30.64 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 122.059 0.933 . . . . 95.03 110.975 178.525 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 7.0 mt -108.98 158.0 35.42 Favored Pre-proline 0 N--CA 1.442 -0.849 0 CA-C-N 113.96 -1.473 . . . . 70.58 111.169 -176.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.11 155.01 12.43 Favored 'Trans proline' 0 C--O 1.234 0.308 0 CA-C-O 121.753 0.647 . . . . 70.66 111.795 177.567 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' SER . . . . . 0.42 ' OG ' ' N ' ' B' ' 43' ' ' GLU . 18.4 p -53.37 158.33 1.72 Allowed 'General case' 0 C--O 1.238 0.473 0 CA-C-N 115.426 -0.806 . . . . 75.22 109.239 169.42 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 17.0 mm -47.91 -43.85 10.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-N 115.519 -0.764 . . . . 73.38 110.001 169.367 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' ARG . . . . . 0.536 ' NH2' ' O ' ' B' ' 202' ' ' HOH . 0.3 OUTLIER -81.04 -40.8 23.64 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 119.71 -0.796 . . . . 93.8 112.099 -173.676 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' GLU . . . . . 0.42 ' N ' ' OG ' ' B' ' 40' ' ' SER . 44.8 mt-10 -51.31 -46.3 62.52 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.125 0.488 . . . . 93.21 111.643 174.416 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 6.8 tp -69.64 -42.78 73.8 Favored 'General case' 0 C--O 1.241 0.628 0 C-N-CA 120.09 -0.644 . . . . 73.38 110.643 177.308 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.5 -20.22 62.94 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 119.091 -0.48 . . . . 80.92 111.936 178.446 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.8 p -97.04 -34.17 11.27 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 113.056 0.761 . . . . 82.72 113.056 176.2 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 73.2 mtp -57.25 -65.02 0.69 Allowed 'General case' 0 C--O 1.237 0.405 0 N-CA-C 106.958 -1.497 . . . . 76.98 106.958 170.613 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 9.4 mt -65.28 162.94 16.35 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 122.264 1.03 . . . . 74.65 110.122 166.953 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -89.45 26.37 9.26 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 118.186 -1.959 . . . . 80.58 112.722 178.439 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 76.5 t -102.51 138.87 25.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 122.724 0.409 . . . . 77.15 110.231 -164.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -65.28 157.71 28.29 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 117.799 -1.561 . . . . 76.55 110.163 176.925 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' MET . . . . . . . . . . . . . 1.9 ptm -70.39 -15.04 62.8 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.153 -0.93 . . . . 106.16 113.285 -174.119 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 mt -64.43 -46.71 82.04 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-N 118.989 0.813 . . . . 74.56 111.074 -179.873 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 5.6 p -81.81 -20.44 39.1 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 119.454 -0.899 . . . . 68.0 112.104 179.202 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 4.3 t -69.88 -43.28 79.74 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.52 0 C-N-CA 117.491 -1.684 . . . . 64.34 109.404 170.095 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -55.43 -36.73 66.82 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 119.105 -1.038 . . . . 66.35 110.068 177.192 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' LYS . . . . . 0.515 ' NZ ' ' O ' ' B' ' 203' ' ' HOH . 1.3 tppt? -73.61 -41.45 62.81 Favored 'General case' 0 CA--C 1.511 -0.539 0 C-N-CA 118.918 -1.113 . . . . 80.77 110.758 -174.123 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.66 -51.29 60.84 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.017 -0.538 . . . . 65.84 111.09 173.324 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -59.9 -51.17 70.83 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 118.833 -1.147 . . . . 63.8 109.971 179.65 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -64.37 -17.44 63.74 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 119.754 -0.778 . . . . 67.83 111.883 -178.605 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -73.13 -39.97 65.29 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 119.977 -0.689 . . . . 64.57 110.9 169.428 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 18.6 mt -69.0 -29.94 68.24 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 119.999 -0.68 . . . . 61.41 110.868 177.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 69.2 t -67.2 -48.9 77.06 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 C-N-CA 120.819 -0.352 . . . . 68.8 110.791 178.428 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -67.02 -38.24 85.58 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 111.91 0.337 . . . . 74.88 111.91 -177.758 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -64.53 -25.47 68.0 Favored 'General case' 0 CA--C 1.515 -0.387 0 O-C-N 121.955 -0.465 . . . . 73.86 112.076 176.91 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 109.17 9.19 26.28 Favored Glycine 0 N--CA 1.442 -0.93 0 N-CA-C 115.918 1.127 . . . . 63.7 115.918 -178.143 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -88.49 -38.89 14.62 Favored 'General case' 0 C--O 1.243 0.715 0 CA-C-N 118.943 1.372 . . . . 65.71 113.166 -167.447 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 31.9 pt -128.87 172.51 15.17 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.494 0 CA-C-O 121.682 0.753 . . . . 60.85 109.011 -178.906 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.0 p -156.88 133.3 2.0 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-N 115.089 -0.959 . . . . 65.18 108.888 -173.782 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 63.1 t -71.84 128.39 34.8 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 N-CA-C 109.323 -0.621 . . . . 65.69 109.323 176.611 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -109.13 -56.63 2.26 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.004 -0.679 . . . . 93.28 111.655 -174.443 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 15.1 mmtm -110.46 -91.08 0.47 Allowed 'General case' 0 C--O 1.255 1.387 0 N-CA-C 105.189 -2.152 . . . . 90.23 105.189 167.478 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 -115.97 36.49 4.02 Favored 'General case' 0 CA--C 1.516 -0.354 0 O-C-N 120.212 -1.555 . . . . 119.67 108.641 163.639 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -127.51 134.77 49.77 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-N 114.665 -1.152 . . . . 104.82 110.074 -163.412 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -89.17 122.89 32.91 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.984 -1.007 . . . . 71.43 108.39 176.592 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 96.2 t -133.46 133.12 57.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 C-N-CA 122.854 0.462 . . . . 65.0 110.431 -163.903 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 53.5 t -59.06 127.8 18.85 Favored 'Isoleucine or valine' 0 C--O 1.238 0.492 0 N-CA-C 109.382 -0.599 . . . . 60.64 109.382 176.662 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.79 130.93 48.07 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.725 0.774 . . . . 94.72 111.088 -176.008 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 1.1 t -110.81 -20.78 12.36 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 124.379 1.072 . . . . 81.73 113.199 177.088 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -79.87 129.24 34.32 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 122.853 0.461 . . . . 85.39 111.299 -169.006 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' VAL . . . . . 0.406 ' CG1' ' N ' ' B' ' 82' ' ' ARG . 89.3 t -127.7 171.78 15.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 N-CA-C 107.445 -1.317 . . . . 89.43 107.445 -179.104 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' ARG . . . . . 0.406 ' N ' ' CG1' ' B' ' 81' ' ' VAL . 8.4 mmt180 81.49 -18.21 0.5 Allowed 'General case' 0 C--O 1.239 0.505 0 C-N-CA 128.256 2.622 . . . . 100.63 111.343 177.788 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 54.3 p30 -70.95 -177.72 1.71 Allowed 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 121.602 0.715 . . . . 92.35 109.512 178.365 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' GLU . . . . . 0.55 ' OE2' ' NH1' ' B' ' 87' ' ' ARG . 4.5 mm-40 -78.56 -24.21 45.69 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 115.934 -0.575 . . . . 82.57 112.152 178.747 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 8.1 t -63.23 -44.32 95.59 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.934 -0.306 . . . . 86.43 110.74 176.697 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 42.8 t-105 -43.6 -55.02 4.55 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 122.765 0.426 . . . . 87.79 111.475 167.319 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' ARG . . . . . 0.55 ' NH1' ' OE2' ' B' ' 84' ' ' GLU . 12.2 mtt180 -69.08 -33.72 73.98 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 111.924 0.342 . . . . 80.97 111.924 -173.438 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' ASN . . . . . 0.621 ' OD1' ' NH1' ' B' ' 91' ' ' ARG . 57.4 m-20 -59.93 -49.82 76.18 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 119.576 -0.85 . . . . 77.76 110.869 176.94 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' MET . . . . . . . . . . . . . 39.6 mtp -55.62 -40.37 72.02 Favored 'General case' 0 C--O 1.235 0.311 0 O-C-N 122.256 -0.278 . . . . 72.98 111.401 -177.562 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 1.3 tt -55.71 -55.38 32.87 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.775 -0.37 . . . . 80.49 111.109 173.807 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' ARG . . . . . 0.621 ' NH1' ' OD1' ' B' ' 88' ' ' ASN . 18.8 mtt180 -51.66 -43.39 62.65 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 120.757 0.313 . . . . 86.86 111.099 179.53 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 14.5 t -60.06 -41.8 87.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 C-N-CA 119.968 -0.693 . . . . 65.99 109.928 176.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' ILE . . . . . . . . . . . . . 82.0 mt -61.72 -51.74 69.08 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 O-C-N 121.65 -0.656 . . . . 73.41 110.78 -179.159 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 1.6 pt -69.13 -32.95 56.09 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 C-N-CA 116.995 -1.882 . . . . 77.4 109.9 179.679 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -68.31 -39.82 81.89 Favored 'General case' 0 CA--C 1.508 -0.65 0 C-N-CA 118.008 -1.477 . . . . 77.2 110.59 -176.876 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 42.8 mtp85 -71.95 -29.66 64.5 Favored 'General case' 0 CA--C 1.511 -0.528 0 C-N-CA 120.047 -0.661 . . . . 77.87 110.453 178.272 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.78 -54.4 35.81 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.287 -0.565 . . . . 79.93 110.18 175.545 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 3.6 mt -59.03 -30.55 68.1 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 120.382 -0.527 . . . . 83.31 111.402 -179.109 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -81.13 5.35 17.03 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 112.704 0.631 . . . . 84.58 112.704 -177.56 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 1.2 m -118.83 32.77 5.96 Favored 'General case' 0 CA--C 1.521 -0.167 0 C-N-CA 123.607 0.763 . . . . 93.52 110.461 175.631 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 63.85 44.18 5.01 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 123.436 0.694 . . . . 105.98 111.511 172.767 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 37.3 mtp -111.02 137.33 48.78 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 121.803 -0.56 . . . . 97.79 109.714 175.993 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.89 161.17 6.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.503 0.668 . . . . 106.06 110.139 173.181 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -77.74 -36.26 50.97 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 117.959 -1.496 . . . . 111.16 110.886 169.233 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.13 -48.27 76.56 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 120.994 0.426 . . . . 118.48 110.367 167.906 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -51.62 -62.24 1.75 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.487 -0.324 . . . . 113.83 110.821 178.567 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' ILE . . . . . 0.629 ' CD1' ' N ' ' B' ' 108' ' ' VAL . 1.8 pp -56.4 -49.16 78.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-O 120.851 0.358 . . . . 106.62 110.912 -165.544 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' VAL . . . . . 0.629 ' N ' ' CD1' ' B' ' 107' ' ' ILE . 7.6 p -78.59 -29.25 14.65 Favored 'Isoleucine or valine' 0 C--O 1.24 0.581 0 C-N-CA 118.479 -1.288 . . . . 105.03 110.949 -171.727 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 47.0 m-20 -47.52 -44.62 25.89 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 119.88 -0.728 . . . . 114.47 110.252 161.8 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -83.71 -19.67 34.83 Favored 'General case' 0 C--N 1.344 0.36 0 N-CA-C 112.928 0.714 . . . . 117.18 112.928 -177.347 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 12.3 mt -66.09 -49.9 73.07 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 C-N-CA 119.677 -0.809 . . . . 102.38 109.897 173.327 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -54.89 -37.13 65.92 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 116.538 -0.301 . . . . 122.43 111.309 175.685 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 68.4 mmt-85 -64.81 -21.13 66.72 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 119.747 -0.781 . . . . 128.56 112.489 -176.842 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 10.5 m -97.52 -30.22 3.71 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-N 119.02 0.827 . . . . 113.88 110.885 -178.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 20.6 t -64.25 -55.48 21.58 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 CA-C-O 121.649 0.738 . . . . 110.63 109.693 176.489 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 1.4 m -52.88 -39.11 62.4 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 116.124 -0.489 . . . . 114.71 111.022 174.987 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -59.95 -52.61 64.69 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 120.561 0.22 . . . . 120.71 111.552 -169.335 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 10.3 m -91.47 0.08 9.31 Favored 'Isoleucine or valine' 0 C--O 1.24 0.581 0 N-CA-C 113.044 0.757 . . . . 127.98 113.044 -172.537 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -67.7 3.36 1.45 Allowed 'General case' 0 C--O 1.238 0.465 0 C-N-CA 117.093 -1.843 . . . . 119.05 112.414 170.747 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 CA--C 1.532 0.282 0 N-CA-C 114.091 1.145 . . . . 123.68 114.091 148.907 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . 0.561 ' O ' ' ND2' ' A' ' 56' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' HOH . . . . . 0.536 ' O ' ' NH2' ' B' ' 42' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 203' ' ' HOH . . . . . 0.515 ' O ' ' NZ ' ' B' ' 57' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 CA--C 1.537 0.451 0 N-CA-C 109.019 -0.734 . . . . 95.120000000000005 109.019 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 28.5 mm -79.89 -45.18 22.98 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.412 0 C-N-CA 120.545 -0.462 . . . . 82.659999999999997 110.391 174.971 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 65.0 mt -103.89 112.42 37.35 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 N-CA-C 107.462 -1.311 . . . . 76.730000000000004 107.462 175.518 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -87.16 117.5 25.95 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 108.185 -1.043 . . . . 88.609999999999999 108.185 -179.753 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 28.2 mm -83.58 118.87 31.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 107.247 -1.39 . . . . 73.890000000000001 107.247 169.791 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -100.91 99.62 10.13 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 106.801 -1.555 . . . . 83.879999999999995 106.801 -178.458 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.7 mt -76.76 -17.79 58.85 Favored 'General case' 0 C--O 1.239 0.515 0 N-CA-C 113.522 0.934 . . . . 77.650000000000006 113.522 -166.686 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -109.2 -0.93 19.02 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 119.194 0.907 . . . . 94.560000000000002 113.28 175.121 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.9 t -56.29 157.35 4.95 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 107.509 -1.293 . . . . 76.0 107.509 162.823 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -98.08 -2.72 39.5 Favored 'General case' 0 CA--C 1.51 -0.579 0 N-CA-C 112.766 0.654 . . . . 97.269999999999996 112.766 174.08 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.9 m -63.09 127.62 91.15 Favored Pre-proline 0 C--O 1.245 0.827 0 C-N-CA 119.519 -0.873 . . . . 66.930000000000007 108.977 164.68 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -54.02 145.75 51.11 Favored 'Trans proline' 0 C--N 1.331 -0.382 0 C-N-CA 120.283 0.655 . . . . 63.689999999999998 110.941 174.65 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.3 mm -51.64 -52.65 20.28 Favored 'Isoleucine or valine' 0 C--N 1.34 0.183 0 CA-C-N 115.312 -0.858 . . . . 60.329999999999998 110.989 -177.378 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -55.68 -36.02 66.65 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 119.457 -0.897 . . . . 63.619999999999997 111.54 -176.415 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.3 tptp -71.89 -39.75 69.36 Favored 'General case' 0 C--N 1.344 0.341 0 N-CA-C 112.027 0.381 . . . . 71.989999999999995 112.027 -179.783 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -61.71 -36.73 81.77 Favored 'General case' 0 C--O 1.239 0.517 0 C-N-CA 118.632 -1.227 . . . . 63.780000000000001 112.405 171.301 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 43.4 mt -60.36 -55.81 21.83 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 C-N-CA 119.609 -0.836 . . . . 55.32 110.207 174.084 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.86 -48.31 75.75 Favored 'General case' 0 C--O 1.239 0.51 0 O-C-N 121.918 -0.489 . . . . 58.049999999999997 112.297 178.114 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -54.75 -45.02 74.1 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 118.762 -1.175 . . . . 73.319999999999993 110.099 -178.885 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -72.57 -32.66 66.2 Favored 'General case' 0 C--O 1.237 0.43 0 N-CA-C 111.911 0.337 . . . . 72.5 111.911 -175.321 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.9 mt -62.73 -38.54 81.95 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 C-N-CA 118.684 -1.206 . . . . 60.600000000000001 110.059 173.086 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 44.9 mt -65.35 -42.1 92.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 C-N-CA 120.285 -0.566 . . . . 66.819999999999993 110.644 175.667 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -59.18 -44.08 92.19 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 119.598 -0.841 . . . . 83.920000000000002 110.768 176.606 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 50.9 mt -65.69 -40.46 92.35 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 120.626 -0.43 . . . . 70.519999999999996 110.891 179.621 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 88.6 mt -61.66 -43.58 97.32 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 C-N-CA 117.969 -1.493 . . . . 76.489999999999995 110.271 172.357 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.17 -50.08 74.76 Favored 'General case' 0 C--O 1.237 0.434 0 O-C-N 121.973 -0.454 . . . . 67.319999999999993 111.515 177.475 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -63.72 -11.9 30.13 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 113.229 0.826 . . . . 95.230000000000004 113.229 175.564 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.65 6.71 87.06 Favored Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 119.014 0.824 . . . . 72.519999999999996 114.755 -178.733 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -67.09 -22.67 65.82 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 118.017 0.908 . . . . 101.33 111.404 171.381 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.0 mt -119.07 93.95 4.27 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 107.73 -1.211 . . . . 79.430000000000007 107.73 171.199 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LYS . . . . . 0.62 ' O ' ' HB2' ' A' ' 36' ' ' ASP . 49.5 mmtt -69.23 164.54 47.69 Favored Pre-proline 0 N--CA 1.451 -0.378 0 CA-C-O 120.964 0.411 . . . . 93.159999999999997 110.552 177.63 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -62.69 156.03 55.53 Favored 'Trans proline' 0 C--N 1.332 -0.336 0 C-N-CA 120.692 0.928 . . . . 85.049999999999997 113.14 176.728 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.18 -25.91 1.03 Allowed Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 114.919 -1.037 . . . . 74.950000000000003 113.24 -174.93 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ASP . . . . . 0.62 ' HB2' ' O ' ' A' ' 33' ' ' LYS . 3.1 m-20 -46.64 110.08 0.25 Allowed 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 109.086 -0.709 . . . . 88.599999999999994 109.086 175.515 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' LYS . . . . . 0.997 ' HB2' HH21 ' A' ' 74' ' ' ARG . 0.1 OUTLIER -60.41 148.15 38.37 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 108.693 -0.855 . . . . 87.260000000000005 108.693 171.966 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LEU . . . . . 0.487 HD21 HG21 ' A' ' 68' ' ' ILE . 2.7 mp -95.09 163.33 22.18 Favored Pre-proline 0 C--N 1.291 -1.935 0 CA-C-N 115.468 -0.787 . . . . 73.989999999999995 109.205 178.69 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -61.68 157.96 39.67 Favored 'Trans proline' 0 C--N 1.331 -0.352 0 CA-C-O 122.311 0.879 . . . . 63.960000000000001 109.991 171.243 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' SER . . . . . 0.469 ' HB3' ' H ' ' A' ' 43' ' ' GLU . 46.6 t -51.86 155.92 1.62 Allowed 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.948 -1.024 . . . . 80.540000000000006 111.199 170.085 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 45.7 mt -55.09 -44.7 75.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 C-N-CA 118.377 -1.329 . . . . 63.859999999999999 109.547 166.311 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.9 ttm105 -69.49 -42.1 75.25 Favored 'General case' 0 C--O 1.238 0.456 0 O-C-N 121.834 -0.541 . . . . 76.079999999999998 112.056 179.766 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' GLU . . . . . 0.469 ' H ' ' HB3' ' A' ' 40' ' ' SER . 0.8 OUTLIER -64.13 -32.27 73.78 Favored 'General case' 0 C--N 1.345 0.377 0 C-N-CA 119.534 -0.866 . . . . 74.680000000000007 111.587 178.69 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.5 tp -82.24 -36.69 26.92 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 118.42 -1.312 . . . . 59.82 111.84 -177.79 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.59 -53.7 54.53 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 110.038 -0.356 . . . . 63.299999999999997 110.038 178.401 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.6 m -61.33 -41.91 97.81 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 116.179 -0.464 . . . . 77.030000000000001 112.096 178.374 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 29.5 ttm -48.37 -41.07 27.66 Favored 'General case' 0 C--O 1.24 0.594 0 C-N-CA 119.629 -0.828 . . . . 66.780000000000001 111.498 172.081 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.6 mt -95.04 -15.51 23.41 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 114.034 1.124 . . . . 65.140000000000001 114.034 -171.132 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 84.26 30.41 28.06 Favored Glycine 0 C--N 1.333 0.391 0 CA-C-N 118.528 0.604 . . . . 60.789999999999999 113.863 -172.286 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.4 t -128.15 155.84 39.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 107.935 -1.135 . . . . 65.120000000000005 107.935 -163.654 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -78.2 150.85 33.43 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 118.254 -1.379 . . . . 69.549999999999997 110.809 177.567 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.5 mtm -56.86 -26.79 59.37 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 119.923 -0.711 . . . . 63.880000000000003 112.297 -178.189 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.5 tt -62.46 -49.2 76.38 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.952 0.406 . . . . 61.509999999999998 111.079 -177.78 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.1 m -59.06 -43.69 91.75 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 116.688 -0.233 . . . . 61.789999999999999 110.945 177.152 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.0 t -66.39 -41.71 89.27 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 C-N-CA 119.071 -1.052 . . . . 56.899999999999999 110.552 176.045 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ASN . . . . . 0.502 ' ND2' ' O ' ' A' ' 201' ' ' HOH . 2.2 t-20 -49.11 -55.84 10.99 Favored 'General case' 0 C--O 1.238 0.498 0 O-C-N 121.668 -0.645 . . . . 66.680000000000007 111.198 173.307 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.3 mttm -54.63 -42.49 71.3 Favored 'General case' 0 C--O 1.238 0.471 0 N-CA-C 112.401 0.519 . . . . 78.659999999999997 112.401 176.097 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.4 -51.65 68.58 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 111.939 0.348 . . . . 60.039999999999999 111.939 176.297 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' TYR . . . . . 0.401 ' O ' HG23 ' A' ' 63' ' ' VAL . 3.9 m-30 -64.26 -34.05 77.23 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 120.312 -0.555 . . . . 58.57 111.632 -176.803 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -71.81 -39.73 69.63 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 122.239 -0.288 . . . . 74.409999999999997 111.503 178.628 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -55.6 -45.81 77.4 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 119.912 -0.715 . . . . 72.5 110.243 173.491 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.8 mt -65.23 -25.92 67.89 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 120.043 -0.663 . . . . 67.420000000000002 112.067 178.149 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 59' ' ' TYR . 61.5 t -76.7 -47.31 29.03 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 C-N-CA 118.897 -1.121 . . . . 73.799999999999997 110.448 -179.318 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -63.49 -40.4 97.0 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 111.842 0.312 . . . . 73.909999999999997 111.842 178.605 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' GLU . . . . . 0.465 ' OE2' ' HE3' ' B' ' 17' ' ' LYS . 47.2 mm-40 -68.0 -17.55 64.46 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 118.747 -0.644 . . . . 78.409999999999997 112.621 174.244 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.4 34.29 10.66 Favored Glycine 0 N--CA 1.449 -0.474 0 N-CA-C 117.484 1.754 . . . . 65.099999999999994 117.484 175.709 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -109.55 -17.25 13.78 Favored 'General case' 0 C--O 1.239 0.545 0 N-CA-C 114.439 1.274 . . . . 67.560000000000002 114.439 175.386 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ILE . . . . . 0.487 HG21 HD21 ' A' ' 38' ' ' LEU . 8.2 pt -141.36 162.27 21.52 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 N-CA-C 108.38 -0.97 . . . . 69.549999999999997 108.38 173.846 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 12.7 p -144.51 152.9 15.09 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 N-CA-C 108.249 -1.019 . . . . 76.709999999999994 108.249 -173.568 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 96.7 t -93.29 126.81 45.67 Favored 'Isoleucine or valine' 0 C--O 1.238 0.485 0 CA-C-N 115.628 -0.715 . . . . 78.109999999999999 109.997 -178.129 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -114.82 87.76 2.72 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 107.119 -1.437 . . . . 86.810000000000002 107.119 -179.036 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? 39.93 76.79 0.06 Allowed 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 122.63 1.205 . . . . 101.84 110.407 -166.312 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 40.3 mtm105 67.57 9.63 7.18 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 114.773 1.397 . . . . 88.400000000000006 114.773 170.477 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ARG . . . . . 0.997 HH21 ' HB2' ' A' ' 37' ' ' LYS . 0.7 OUTLIER -121.01 143.65 48.93 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 119.667 1.121 . . . . 92.609999999999999 110.513 170.017 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -94.65 130.24 41.2 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 122.911 0.484 . . . . 77.459999999999994 111.499 -170.573 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 50.2 t -133.84 140.93 45.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 N-CA-C 108.693 -0.854 . . . . 73.049999999999997 108.693 -170.238 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 11.3 t -66.66 135.99 27.52 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 N-CA-C 108.846 -0.798 . . . . 78.599999999999994 108.846 172.759 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -83.91 -151.28 0.12 Allowed 'General case' 0 C--O 1.237 0.427 0 N-CA-C 107.543 -1.28 . . . . 111.81999999999999 107.543 -178.036 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.8 p -151.54 10.73 0.58 Allowed 'General case' 0 C--N 1.352 0.699 0 N-CA-C 115.065 1.506 . . . . 111.58 115.065 -153.362 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' GLU . . . . . 0.531 ' HB3' HG22 ' A' ' 81' ' ' VAL . 26.7 mt-10 -155.25 176.61 12.34 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-N 121.491 1.95 . . . . 124.8 111.937 -166.711 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 81' ' ' VAL . . . . . 0.531 HG22 ' HB3' ' A' ' 80' ' ' GLU . 12.6 m . . . . . 0 C--O 1.243 0.762 0 N-CA-C 118.175 2.657 . . . . 118.63 118.175 160.556 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 44.1 p-90 . . . . . 0 N--CA 1.478 0.964 0 CA-C-O 121.054 0.454 . . . . 90.030000000000001 112.146 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.3 mtt85 -78.8 -47.24 17.09 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 116.052 -0.522 . . . . 101.47 111.027 177.396 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ASN . . . . . 0.678 ' O ' HG13 ' A' ' 91' ' ' VAL . 7.9 m120 -52.29 -33.72 43.42 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.241 -0.584 . . . . 92.180000000000007 110.331 170.227 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 88' ' ' MET . . . . . 0.422 ' O ' HG23 ' A' ' 92' ' ' ILE . 6.6 ttt -60.27 -49.9 75.77 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 119.539 -0.864 . . . . 75.120000000000005 109.949 176.841 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 15.3 tp -55.0 -56.87 14.95 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 120.881 0.372 . . . . 81.359999999999999 111.346 175.47 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 30.5 mtm180 -50.49 -33.57 21.85 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 112.75 0.648 . . . . 95.819999999999993 112.75 -177.22 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' VAL . . . . . 0.678 HG13 ' O ' ' A' ' 87' ' ' ASN . 2.6 m -80.36 -20.77 11.69 Favored 'Isoleucine or valine' 0 C--O 1.242 0.705 0 C-N-CA 117.844 -1.542 . . . . 73.400000000000006 111.693 -176.858 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ILE . . . . . 0.422 HG23 ' O ' ' A' ' 88' ' ' MET . 3.3 pt -91.66 -32.93 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 118.711 -1.196 . . . . 83.370000000000005 111.131 -178.281 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 14.7 mm -57.19 -55.05 22.85 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.402 0 C-N-CA 119.82 -0.752 . . . . 82.920000000000002 109.244 167.512 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -50.62 -50.4 54.31 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.953 -0.567 . . . . 90.810000000000002 111.605 175.204 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -61.88 -32.4 72.76 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 119.063 -1.055 . . . . 78.069999999999993 110.678 173.949 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.99 -61.73 1.73 Allowed 'General case' 0 C--O 1.238 0.462 0 C-N-CA 119.907 -0.717 . . . . 82.530000000000001 110.673 -179.348 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.3 mt -61.11 -34.36 74.84 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.281 -0.418 . . . . 98.620000000000005 111.509 -174.494 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.48 6.31 0.32 Allowed 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.696 0.999 . . . . 88.069999999999993 113.696 178.039 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.239 0.519 0 CA-C-N 119.721 1.146 . . . . 98.840000000000003 110.986 178.274 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' ILE . . . . . 0.406 ' N ' ' HZ2' ' B' ' 6' ' ' LYS . 26.5 mt . . . . . 0 N--CA 1.481 1.079 0 N-CA-C 113.844 1.053 . . . . 90.109999999999999 113.844 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' LYS . . . . . 0.406 ' HZ2' ' N ' ' B' ' 5' ' ' ILE . 25.0 mmtm -121.1 135.18 55.23 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.835 -0.802 . . . . 92.200000000000003 108.835 -175.699 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ILE . . . . . 0.552 HD12 HG23 ' B' ' 15' ' ' ILE . 13.3 mm -93.23 113.37 27.99 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 N-CA-C 108.165 -1.05 . . . . 82.760000000000005 108.165 -179.562 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -81.29 101.13 9.56 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 107.195 -1.409 . . . . 78.519999999999996 107.195 171.942 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' LEU . . . . . 0.469 HD23 ' HA ' ' B' ' 9' ' ' LEU . 7.3 mt -65.78 -34.26 77.76 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.22 -0.992 . . . . 90.840000000000003 112.278 -172.02 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -86.3 -5.38 59.19 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 114.483 1.29 . . . . 92.489999999999995 114.483 -173.859 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 27.6 t -73.74 154.28 39.67 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 118.819 -1.152 . . . . 83.840000000000003 110.436 -178.746 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 7.9 mmpt? -78.01 -14.19 59.6 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.46 -0.791 . . . . 88.060000000000002 112.308 173.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 85.3 m -64.69 135.96 96.58 Favored Pre-proline 0 C--N 1.328 -0.364 0 C-N-CA 119.695 -0.802 . . . . 74.099999999999994 109.863 172.041 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -63.13 152.7 78.3 Favored 'Trans proline' 0 C--N 1.331 -0.385 0 CA-C-O 122.419 0.925 . . . . 67.620000000000005 112.847 178.962 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' ILE . . . . . 0.552 HG23 HD12 ' B' ' 7' ' ' ILE . 25.0 mm -57.11 -53.36 44.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 CA-C-N 114.593 -1.185 . . . . 69.400000000000006 111.036 -179.34 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -55.76 -41.62 74.27 Favored 'General case' 0 C--O 1.236 0.391 0 O-C-N 121.647 -0.658 . . . . 70.159999999999997 110.445 -179.14 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' LYS . . . . . 0.465 ' HE3' ' OE2' ' A' ' 65' ' ' GLU . 1.9 tptm -63.23 -43.17 98.84 Favored 'General case' 0 C--O 1.234 0.259 0 O-C-N 122.262 -0.274 . . . . 66.659999999999997 110.877 178.936 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -54.63 -54.6 39.4 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 120.92 0.39 . . . . 70.090000000000003 111.435 173.856 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 81.3 mt -53.92 -49.92 56.45 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 C-N-CA 120.539 -0.464 . . . . 68.760000000000005 110.553 177.958 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.49 -52.98 63.27 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.152 0.501 . . . . 69.730000000000004 111.441 -175.673 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -57.9 -44.54 86.85 Favored 'General case' 0 C--O 1.24 0.574 0 C-N-CA 120.211 -0.596 . . . . 74.680000000000007 111.103 -177.838 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' GLN . . . . . 0.402 ' OE1' ' HA ' ' B' ' 5' ' ' ILE . 68.6 mt-30 -60.77 -47.77 84.81 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 119.741 -0.783 . . . . 74.340000000000003 111.39 -179.269 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 23' ' ' ILE . . . . . 0.507 ' HA ' HD12 ' B' ' 26' ' ' LEU . 92.3 mt -57.99 -48.85 83.12 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 C-N-CA 120.465 -0.494 . . . . 67.379999999999995 110.811 175.809 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 81.2 mt -51.51 -41.99 28.26 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 CA-C-O 121.181 0.515 . . . . 69.049999999999997 110.29 176.179 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -53.66 -48.79 69.11 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 120.475 -0.49 . . . . 100.29000000000001 110.561 175.8 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' LEU . . . . . 0.507 HD12 ' HA ' ' B' ' 23' ' ' ILE . 10.0 mt -61.31 -45.73 93.25 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 120.46 -0.496 . . . . 69.329999999999998 111.211 179.517 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 62.6 mt -58.47 -49.84 80.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 C-N-CA 119.081 -1.048 . . . . 76.280000000000001 109.698 176.754 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.52 -48.63 80.17 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 120.238 -0.585 . . . . 79.109999999999999 111.619 -179.973 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 23.4 mttp -72.63 19.42 0.08 Allowed 'General case' 0 C--O 1.233 0.231 0 O-C-N 121.61 -0.681 . . . . 91.599999999999994 112.312 -176.906 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 64.41 -17.95 0.11 Allowed Glycine 0 C--N 1.334 0.466 0 N-CA-C 116.181 1.232 . . . . 81.109999999999999 116.181 -177.595 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' GLU . . . . . 0.625 ' HB3' ' O ' ' B' ' 215' ' ' HOH . 2.2 mt-10 -60.77 -17.81 51.22 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 119.064 1.432 . . . . 98.209999999999994 112.654 -178.185 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 mt -129.23 141.95 50.99 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 124.943 1.297 . . . . 72.5 107.743 171.699 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -153.81 173.44 4.68 Favored Pre-proline 0 C--N 1.311 -1.077 1 C-N-CA 111.56 -4.056 . . . . 103.78 114.957 -165.572 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_exo -58.38 134.77 63.59 Favored 'Trans proline' 0 C--N 1.326 -0.625 0 C-N-CA 120.302 0.668 . . . . 71.120000000000005 112.152 -169.411 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.83 -22.64 10.94 Favored Glycine 0 N--CA 1.435 -1.377 0 CA-C-N 115.048 -0.978 . . . . 66.260000000000005 114.421 -173.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -61.92 157.39 18.57 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 118.883 -1.127 . . . . 78.75 110.577 178.621 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' LYS . . . . . 0.81 ' HG2' ' CZ ' ' B' ' 74' ' ' ARG . 1.4 mppt? -118.65 155.65 30.64 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 122.059 0.933 . . . . 95.030000000000001 110.975 178.525 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 38' ' ' LEU . . . . . 0.49 HD11 HG21 ' B' ' 68' ' ' ILE . 7.0 mt -108.98 158.0 35.42 Favored Pre-proline 0 N--CA 1.442 -0.849 0 CA-C-N 113.96 -1.473 . . . . 70.579999999999998 111.169 -176.781 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.11 155.01 12.43 Favored 'Trans proline' 0 C--O 1.234 0.308 0 CA-C-O 121.753 0.647 . . . . 70.659999999999997 111.795 177.567 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 18.4 p -53.37 158.33 1.72 Allowed 'General case' 0 C--O 1.238 0.473 0 CA-C-N 115.426 -0.806 . . . . 75.219999999999999 109.239 169.42 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' ILE . . . . . 0.51 HG23 HG12 ' B' ' 55' ' ' VAL . 17.0 mm -47.91 -43.85 10.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-N 115.519 -0.764 . . . . 73.379999999999995 110.001 169.367 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 42' ' ' ARG . . . . . 0.536 ' NH2' ' O ' ' B' ' 202' ' ' HOH . 0.3 OUTLIER -81.04 -40.8 23.64 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 119.71 -0.796 . . . . 93.799999999999997 112.099 -173.676 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -51.31 -46.3 62.52 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.125 0.488 . . . . 93.209999999999994 111.643 174.416 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 6.8 tp -69.64 -42.78 73.8 Favored 'General case' 0 C--O 1.241 0.628 0 C-N-CA 120.09 -0.644 . . . . 73.379999999999995 110.643 177.308 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.5 -20.22 62.94 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 119.091 -0.48 . . . . 80.920000000000002 111.936 178.446 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.8 p -97.04 -34.17 11.27 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 113.056 0.761 . . . . 82.719999999999999 113.056 176.2 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 73.2 mtp -57.25 -65.02 0.69 Allowed 'General case' 0 C--O 1.237 0.405 0 N-CA-C 106.958 -1.497 . . . . 76.980000000000004 106.958 170.613 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 9.4 mt -65.28 162.94 16.35 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 122.264 1.03 . . . . 74.650000000000006 110.122 166.953 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -89.45 26.37 9.26 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 118.186 -1.959 . . . . 80.579999999999998 112.722 178.439 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 76.5 t -102.51 138.87 25.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 122.724 0.409 . . . . 77.150000000000006 110.231 -164.286 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' ASN . . . . . 0.442 ' OD1' ' HB2' ' B' ' 53' ' ' LEU . 11.8 p30 -65.28 157.71 28.29 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 117.799 -1.561 . . . . 76.549999999999997 110.163 176.925 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 52' ' ' MET . . . . . . . . . . . . . 1.9 ptm -70.39 -15.04 62.8 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.153 -0.93 . . . . 106.16 113.285 -174.119 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' LEU . . . . . 0.442 ' HB2' ' OD1' ' B' ' 51' ' ' ASN . 2.7 mt -64.43 -46.71 82.04 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-N 118.989 0.813 . . . . 74.560000000000002 111.074 -179.873 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 5.6 p -81.81 -20.44 39.1 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 119.454 -0.899 . . . . 68.0 112.104 179.202 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' VAL . . . . . 0.51 HG12 HG23 ' B' ' 41' ' ' ILE . 4.3 t -69.88 -43.28 79.74 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.52 0 C-N-CA 117.491 -1.684 . . . . 64.340000000000003 109.404 170.095 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 56' ' ' ASN . . . . . 0.476 ' HA ' HD12 ' B' ' 41' ' ' ILE . 13.5 t-20 -55.43 -36.73 66.82 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 119.105 -1.038 . . . . 66.349999999999994 110.068 177.192 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -73.61 -41.45 62.81 Favored 'General case' 0 CA--C 1.511 -0.539 0 C-N-CA 118.918 -1.113 . . . . 80.769999999999996 110.758 -174.123 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.66 -51.29 60.84 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.017 -0.538 . . . . 65.840000000000003 111.09 173.324 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -59.9 -51.17 70.83 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 118.833 -1.147 . . . . 63.799999999999997 109.971 179.65 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -64.37 -17.44 63.74 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 119.754 -0.778 . . . . 67.829999999999998 111.883 -178.605 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -73.13 -39.97 65.29 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 119.977 -0.689 . . . . 64.569999999999993 110.9 169.428 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 18.6 mt -69.0 -29.94 68.24 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 119.999 -0.68 . . . . 61.409999999999997 110.868 177.743 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 69.2 t -67.2 -48.9 77.06 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 C-N-CA 120.819 -0.352 . . . . 68.799999999999997 110.791 178.428 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -67.02 -38.24 85.58 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 111.91 0.337 . . . . 74.879999999999995 111.91 -177.758 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -64.53 -25.47 68.0 Favored 'General case' 0 CA--C 1.515 -0.387 0 O-C-N 121.955 -0.465 . . . . 73.859999999999999 112.076 176.91 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 109.17 9.19 26.28 Favored Glycine 0 N--CA 1.442 -0.93 0 N-CA-C 115.918 1.127 . . . . 63.700000000000003 115.918 -178.143 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -88.49 -38.89 14.62 Favored 'General case' 0 C--O 1.243 0.715 0 CA-C-N 118.943 1.372 . . . . 65.709999999999994 113.166 -167.447 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' ILE . . . . . 0.49 HG21 HD11 ' B' ' 38' ' ' LEU . 31.9 pt -128.87 172.51 15.17 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.494 0 CA-C-O 121.682 0.753 . . . . 60.850000000000001 109.011 -178.906 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.0 p -156.88 133.3 2.0 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-N 115.089 -0.959 . . . . 65.180000000000007 108.888 -173.782 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' VAL . . . . . 0.516 ' HA ' ' O ' ' B' ' 74' ' ' ARG . 63.1 t -71.84 128.39 34.8 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 N-CA-C 109.323 -0.621 . . . . 65.689999999999998 109.323 176.611 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 71' ' ' GLN . . . . . 0.412 ' HG3' HG21 ' B' ' 76' ' ' VAL . 16.1 mm100 -109.13 -56.63 2.26 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.004 -0.679 . . . . 93.280000000000001 111.655 -174.443 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 15.1 mmtm -110.46 -91.08 0.47 Allowed 'General case' 0 C--O 1.255 1.387 0 N-CA-C 105.189 -2.152 . . . . 90.230000000000004 105.189 167.478 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 -115.97 36.49 4.02 Favored 'General case' 0 CA--C 1.516 -0.354 0 O-C-N 120.212 -1.555 . . . . 119.67 108.641 163.639 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' ARG . . . . . 0.81 ' CZ ' ' HG2' ' B' ' 37' ' ' LYS . 4.1 mmm180 -127.51 134.77 49.77 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-N 114.665 -1.152 . . . . 104.81999999999999 110.074 -163.412 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -89.17 122.89 32.91 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.984 -1.007 . . . . 71.430000000000007 108.39 176.592 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' VAL . . . . . 0.724 HG22 ' HG3' ' B' ' 37' ' ' LYS . 96.2 t -133.46 133.12 57.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 C-N-CA 122.854 0.462 . . . . 65.0 110.431 -163.903 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 53.5 t -59.06 127.8 18.85 Favored 'Isoleucine or valine' 0 C--O 1.238 0.492 0 N-CA-C 109.382 -0.599 . . . . 60.640000000000001 109.382 176.662 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.79 130.93 48.07 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.725 0.774 . . . . 94.719999999999999 111.088 -176.008 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 1.1 t -110.81 -20.78 12.36 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 124.379 1.072 . . . . 81.730000000000004 113.199 177.088 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -79.87 129.24 34.32 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 122.853 0.461 . . . . 85.390000000000001 111.299 -169.006 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 81' ' ' VAL . . . . . 0.506 HG12 ' N ' ' B' ' 82' ' ' ARG . 89.3 t -127.7 171.78 15.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 N-CA-C 107.445 -1.317 . . . . 89.430000000000007 107.445 -179.104 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 82' ' ' ARG . . . . . 0.506 ' N ' HG12 ' B' ' 81' ' ' VAL . 8.4 mmt180 81.49 -18.21 0.5 Allowed 'General case' 0 C--O 1.239 0.505 0 C-N-CA 128.256 2.622 . . . . 100.63 111.343 177.788 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 54.3 p30 -70.95 -177.72 1.71 Allowed 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 121.602 0.715 . . . . 92.349999999999994 109.512 178.365 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 84' ' ' GLU . . . . . 0.55 ' OE2' ' NH1' ' B' ' 87' ' ' ARG . 4.5 mm-40 -78.56 -24.21 45.69 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 115.934 -0.575 . . . . 82.569999999999993 112.152 178.747 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 8.1 t -63.23 -44.32 95.59 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.934 -0.306 . . . . 86.430000000000007 110.74 176.697 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 86' ' ' TRP . . . . . 0.41 ' CZ3' ' HB ' ' A' ' 92' ' ' ILE . 42.8 t-105 -43.6 -55.02 4.55 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 122.765 0.426 . . . . 87.790000000000006 111.475 167.319 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 87' ' ' ARG . . . . . 0.55 ' NH1' ' OE2' ' B' ' 84' ' ' GLU . 12.2 mtt180 -69.08 -33.72 73.98 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 111.924 0.342 . . . . 80.969999999999999 111.924 -173.438 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 88' ' ' ASN . . . . . 0.621 ' OD1' ' NH1' ' B' ' 91' ' ' ARG . 57.4 m-20 -59.93 -49.82 76.18 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 119.576 -0.85 . . . . 77.760000000000005 110.869 176.94 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 89' ' ' MET . . . . . 0.43 ' O ' HG13 ' B' ' 93' ' ' ILE . 39.6 mtp -55.62 -40.37 72.02 Favored 'General case' 0 C--O 1.235 0.311 0 O-C-N 122.256 -0.278 . . . . 72.980000000000004 111.401 -177.562 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 1.3 tt -55.71 -55.38 32.87 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.775 -0.37 . . . . 80.489999999999995 111.109 173.807 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 91' ' ' ARG . . . . . 0.621 ' NH1' ' OD1' ' B' ' 88' ' ' ASN . 18.8 mtt180 -51.66 -43.39 62.65 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 120.757 0.313 . . . . 86.859999999999999 111.099 179.53 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 14.5 t -60.06 -41.8 87.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 C-N-CA 119.968 -0.693 . . . . 65.989999999999995 109.928 176.909 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 93' ' ' ILE . . . . . 0.43 HG13 ' O ' ' B' ' 89' ' ' MET . 82.0 mt -61.72 -51.74 69.08 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 O-C-N 121.65 -0.656 . . . . 73.409999999999997 110.78 -179.159 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 1.6 pt -69.13 -32.95 56.09 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 C-N-CA 116.995 -1.882 . . . . 77.400000000000006 109.9 179.679 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 95' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -68.31 -39.82 81.89 Favored 'General case' 0 CA--C 1.508 -0.65 0 C-N-CA 118.008 -1.477 . . . . 77.200000000000003 110.59 -176.876 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 42.8 mtp85 -71.95 -29.66 64.5 Favored 'General case' 0 CA--C 1.511 -0.528 0 C-N-CA 120.047 -0.661 . . . . 77.870000000000005 110.453 178.272 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.78 -54.4 35.81 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.287 -0.565 . . . . 79.930000000000007 110.18 175.545 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 3.6 mt -59.03 -30.55 68.1 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 120.382 -0.527 . . . . 83.310000000000002 111.402 -179.109 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -81.13 5.35 17.03 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 112.704 0.631 . . . . 84.579999999999998 112.704 -177.56 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 1.2 m -118.83 32.77 5.96 Favored 'General case' 0 CA--C 1.521 -0.167 0 C-N-CA 123.607 0.763 . . . . 93.519999999999996 110.461 175.631 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 63.85 44.18 5.01 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 123.436 0.694 . . . . 105.98 111.511 172.767 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 37.3 mtp -111.02 137.33 48.78 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 121.803 -0.56 . . . . 97.790000000000006 109.714 175.993 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 103' ' ' SER . . . . . 0.647 ' O ' HG23 ' B' ' 107' ' ' ILE . 1.0 OUTLIER -59.89 161.17 6.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.503 0.668 . . . . 106.06 110.139 173.181 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 104' ' ' LYS . . . . . 0.421 ' O ' HG12 ' B' ' 108' ' ' VAL . 8.5 ptmt -77.74 -36.26 50.97 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 117.959 -1.496 . . . . 111.16 110.886 169.233 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.13 -48.27 76.56 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 120.994 0.426 . . . . 118.48 110.367 167.906 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -51.62 -62.24 1.75 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.487 -0.324 . . . . 113.83 110.821 178.567 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 107' ' ' ILE . . . . . 0.959 HD12 ' N ' ' B' ' 108' ' ' VAL . 1.8 pp -56.4 -49.16 78.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-O 120.851 0.358 . . . . 106.62 110.912 -165.544 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 108' ' ' VAL . . . . . 0.959 ' N ' HD12 ' B' ' 107' ' ' ILE . 7.6 p -78.59 -29.25 14.65 Favored 'Isoleucine or valine' 0 C--O 1.24 0.581 0 C-N-CA 118.479 -1.288 . . . . 105.03 110.949 -171.727 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 109' ' ' ASN . . . . . 0.564 ' O ' ' HG2' ' B' ' 113' ' ' ARG . 47.0 m-20 -47.52 -44.62 25.89 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 119.88 -0.728 . . . . 114.47 110.252 161.8 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -83.71 -19.67 34.83 Favored 'General case' 0 C--N 1.344 0.36 0 N-CA-C 112.928 0.714 . . . . 117.18000000000001 112.928 -177.347 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 111' ' ' ILE . . . . . 0.445 ' O ' HG22 ' B' ' 114' ' ' VAL . 12.3 mt -66.09 -49.9 73.07 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 C-N-CA 119.677 -0.809 . . . . 102.38 109.897 173.327 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 112' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -54.89 -37.13 65.92 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 116.538 -0.301 . . . . 122.43000000000001 111.309 175.685 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 113' ' ' ARG . . . . . 0.564 ' HG2' ' O ' ' B' ' 109' ' ' ASN . 68.4 mmt-85 -64.81 -21.13 66.72 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 119.747 -0.781 . . . . 128.56 112.489 -176.842 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 114' ' ' VAL . . . . . 0.445 HG22 ' O ' ' B' ' 111' ' ' ILE . 10.5 m -97.52 -30.22 3.71 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-N 119.02 0.827 . . . . 113.88 110.885 -178.649 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 115' ' ' VAL . . . . . 0.436 HG23 ' O ' ' B' ' 111' ' ' ILE . 20.6 t -64.25 -55.48 21.58 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 CA-C-O 121.649 0.738 . . . . 110.63 109.693 176.489 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 1.4 m -52.88 -39.11 62.4 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 116.124 -0.489 . . . . 114.70999999999999 111.022 174.987 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -59.95 -52.61 64.69 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 120.561 0.22 . . . . 120.70999999999999 111.552 -169.335 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 10.3 m -91.47 0.08 9.31 Favored 'Isoleucine or valine' 0 C--O 1.24 0.581 0 N-CA-C 113.044 0.757 . . . . 127.98 113.044 -172.537 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.7 3.36 1.45 Allowed 'General case' 0 C--O 1.238 0.465 0 C-N-CA 117.093 -1.843 . . . . 119.05 112.414 170.747 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 CA--C 1.532 0.282 0 N-CA-C 114.091 1.145 . . . . 123.68000000000001 114.091 148.907 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . 0.502 ' O ' ' ND2' ' A' ' 56' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . 0.446 ' O ' ' HB3' ' A' ' 37' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 202' ' ' HOH . . . . . 0.536 ' O ' ' NH2' ' B' ' 42' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 213' ' ' HOH . . . . . 0.441 ' O ' HG12 ' B' ' 41' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 215' ' ' HOH . . . . . 0.625 ' O ' ' HB3' ' B' ' 31' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 CA--C 1.537 0.451 0 N-CA-C 109.019 -0.734 . . . . 95.12 109.019 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 28.5 mm -79.89 -45.18 22.98 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.412 0 C-N-CA 120.545 -0.462 . . . . 82.66 110.391 174.971 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 65.0 mt -103.89 112.42 37.35 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 N-CA-C 107.462 -1.311 . . . . 76.73 107.462 175.518 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -87.16 117.5 25.95 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 108.185 -1.043 . . . . 88.61 108.185 -179.753 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 28.2 mm -83.58 118.87 31.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 107.247 -1.39 . . . . 73.89 107.247 169.791 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -100.91 99.62 10.13 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 106.801 -1.555 . . . . 83.88 106.801 -178.458 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.7 mt -76.76 -17.79 58.85 Favored 'General case' 0 C--O 1.239 0.515 0 N-CA-C 113.522 0.934 . . . . 77.65 113.522 -166.686 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -109.2 -0.93 19.02 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 119.194 0.907 . . . . 94.56 113.28 175.121 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.9 t -56.29 157.35 4.95 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 107.509 -1.293 . . . . 76.0 107.509 162.823 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -98.08 -2.72 39.5 Favored 'General case' 0 CA--C 1.51 -0.579 0 N-CA-C 112.766 0.654 . . . . 97.27 112.766 174.08 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.9 m -63.09 127.62 91.15 Favored Pre-proline 0 C--O 1.245 0.827 0 C-N-CA 119.519 -0.873 . . . . 66.93 108.977 164.68 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -54.02 145.75 51.11 Favored 'Trans proline' 0 C--N 1.331 -0.382 0 C-N-CA 120.283 0.655 . . . . 63.69 110.941 174.65 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.3 mm -51.64 -52.65 20.28 Favored 'Isoleucine or valine' 0 C--N 1.34 0.183 0 CA-C-N 115.312 -0.858 . . . . 60.33 110.989 -177.378 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -55.68 -36.02 66.65 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 119.457 -0.897 . . . . 63.62 111.54 -176.415 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.3 tptp -71.89 -39.75 69.36 Favored 'General case' 0 C--N 1.344 0.341 0 N-CA-C 112.027 0.381 . . . . 71.99 112.027 -179.783 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -61.71 -36.73 81.77 Favored 'General case' 0 C--O 1.239 0.517 0 C-N-CA 118.632 -1.227 . . . . 63.78 112.405 171.301 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 43.4 mt -60.36 -55.81 21.83 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 C-N-CA 119.609 -0.836 . . . . 55.32 110.207 174.084 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.86 -48.31 75.75 Favored 'General case' 0 C--O 1.239 0.51 0 O-C-N 121.918 -0.489 . . . . 58.05 112.297 178.114 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -54.75 -45.02 74.1 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 118.762 -1.175 . . . . 73.32 110.099 -178.885 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -72.57 -32.66 66.2 Favored 'General case' 0 C--O 1.237 0.43 0 N-CA-C 111.911 0.337 . . . . 72.5 111.911 -175.321 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.9 mt -62.73 -38.54 81.95 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 C-N-CA 118.684 -1.206 . . . . 60.6 110.059 173.086 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 44.9 mt -65.35 -42.1 92.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 C-N-CA 120.285 -0.566 . . . . 66.82 110.644 175.667 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -59.18 -44.08 92.19 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 119.598 -0.841 . . . . 83.92 110.768 176.606 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 50.9 mt -65.69 -40.46 92.35 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 120.626 -0.43 . . . . 70.52 110.891 179.621 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 88.6 mt -61.66 -43.58 97.32 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 C-N-CA 117.969 -1.493 . . . . 76.49 110.271 172.357 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.17 -50.08 74.76 Favored 'General case' 0 C--O 1.237 0.434 0 O-C-N 121.973 -0.454 . . . . 67.32 111.515 177.475 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -63.72 -11.9 30.13 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 113.229 0.826 . . . . 95.23 113.229 175.564 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.65 6.71 87.06 Favored Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 119.014 0.824 . . . . 72.52 114.755 -178.733 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -67.09 -22.67 65.82 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 118.017 0.908 . . . . 101.33 111.404 171.381 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.0 mt -119.07 93.95 4.27 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 107.73 -1.211 . . . . 79.43 107.73 171.199 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.62 ' O ' ' HB2' ' A' ' 36' ' ' ASP . 49.5 mmtt -69.23 164.54 47.69 Favored Pre-proline 0 N--CA 1.451 -0.378 0 CA-C-O 120.964 0.411 . . . . 93.16 110.552 177.63 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -62.69 156.03 55.53 Favored 'Trans proline' 0 C--N 1.332 -0.336 0 C-N-CA 120.692 0.928 . . . . 85.05 113.14 176.728 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.18 -25.91 1.03 Allowed Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 114.919 -1.037 . . . . 74.95 113.24 -174.93 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.62 ' HB2' ' O ' ' A' ' 33' ' ' LYS . 3.1 m-20 -46.64 110.08 0.25 Allowed 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 109.086 -0.709 . . . . 88.6 109.086 175.515 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.997 ' HB2' HH21 ' A' ' 74' ' ' ARG . 0.1 OUTLIER -60.41 148.15 38.37 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 108.693 -0.855 . . . . 87.26 108.693 171.966 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.487 HD21 HG21 ' A' ' 68' ' ' ILE . 2.7 mp -95.09 163.33 22.18 Favored Pre-proline 0 C--N 1.291 -1.935 0 CA-C-N 115.468 -0.787 . . . . 73.99 109.205 178.69 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -61.68 157.96 39.67 Favored 'Trans proline' 0 C--N 1.331 -0.352 0 CA-C-O 122.311 0.879 . . . . 63.96 109.991 171.243 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' SER . . . . . 0.469 ' HB3' ' H ' ' A' ' 43' ' ' GLU . 46.6 t -51.86 155.92 1.62 Allowed 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.948 -1.024 . . . . 80.54 111.199 170.085 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 45.7 mt -55.09 -44.7 75.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 C-N-CA 118.377 -1.329 . . . . 63.86 109.547 166.311 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.9 ttm105 -69.49 -42.1 75.25 Favored 'General case' 0 C--O 1.238 0.456 0 O-C-N 121.834 -0.541 . . . . 76.08 112.056 179.766 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.469 ' H ' ' HB3' ' A' ' 40' ' ' SER . 0.8 OUTLIER -64.13 -32.27 73.78 Favored 'General case' 0 C--N 1.345 0.377 0 C-N-CA 119.534 -0.866 . . . . 74.68 111.587 178.69 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.5 tp -82.24 -36.69 26.92 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 118.42 -1.312 . . . . 59.82 111.84 -177.79 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.59 -53.7 54.53 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 110.038 -0.356 . . . . 63.3 110.038 178.401 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.6 m -61.33 -41.91 97.81 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 116.179 -0.464 . . . . 77.03 112.096 178.374 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 29.5 ttm -48.37 -41.07 27.66 Favored 'General case' 0 C--O 1.24 0.594 0 C-N-CA 119.629 -0.828 . . . . 66.78 111.498 172.081 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.6 mt -95.04 -15.51 23.41 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 114.034 1.124 . . . . 65.14 114.034 -171.132 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 84.26 30.41 28.06 Favored Glycine 0 C--N 1.333 0.391 0 CA-C-N 118.528 0.604 . . . . 60.79 113.863 -172.286 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.4 t -128.15 155.84 39.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 107.935 -1.135 . . . . 65.12 107.935 -163.654 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -78.2 150.85 33.43 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 118.254 -1.379 . . . . 69.55 110.809 177.567 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.5 mtm -56.86 -26.79 59.37 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 119.923 -0.711 . . . . 63.88 112.297 -178.189 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.5 tt -62.46 -49.2 76.38 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.952 0.406 . . . . 61.51 111.079 -177.78 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.1 m -59.06 -43.69 91.75 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 116.688 -0.233 . . . . 61.79 110.945 177.152 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.0 t -66.39 -41.71 89.27 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 C-N-CA 119.071 -1.052 . . . . 56.9 110.552 176.045 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.502 ' ND2' ' O ' ' A' ' 201' ' ' HOH . 2.2 t-20 -49.11 -55.84 10.99 Favored 'General case' 0 C--O 1.238 0.498 0 O-C-N 121.668 -0.645 . . . . 66.68 111.198 173.307 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.3 mttm -54.63 -42.49 71.3 Favored 'General case' 0 C--O 1.238 0.471 0 N-CA-C 112.401 0.519 . . . . 78.66 112.401 176.097 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.4 -51.65 68.58 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 111.939 0.348 . . . . 60.04 111.939 176.297 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.401 ' O ' HG23 ' A' ' 63' ' ' VAL . 3.9 m-30 -64.26 -34.05 77.23 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 120.312 -0.555 . . . . 58.57 111.632 -176.803 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -71.81 -39.73 69.63 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 122.239 -0.288 . . . . 74.41 111.503 178.628 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -55.6 -45.81 77.4 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 119.912 -0.715 . . . . 72.5 110.243 173.491 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.8 mt -65.23 -25.92 67.89 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 120.043 -0.663 . . . . 67.42 112.067 178.149 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 59' ' ' TYR . 61.5 t -76.7 -47.31 29.03 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 C-N-CA 118.897 -1.121 . . . . 73.8 110.448 -179.318 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -63.49 -40.4 97.0 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 111.842 0.312 . . . . 73.91 111.842 178.605 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.465 ' OE2' ' HE3' ' B' ' 17' ' ' LYS . 47.2 mm-40 -68.0 -17.55 64.46 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 118.747 -0.644 . . . . 78.41 112.621 174.244 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.4 34.29 10.66 Favored Glycine 0 N--CA 1.449 -0.474 0 N-CA-C 117.484 1.754 . . . . 65.1 117.484 175.709 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -109.55 -17.25 13.78 Favored 'General case' 0 C--O 1.239 0.545 0 N-CA-C 114.439 1.274 . . . . 67.56 114.439 175.386 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.487 HG21 HD21 ' A' ' 38' ' ' LEU . 8.2 pt -141.36 162.27 21.52 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 N-CA-C 108.38 -0.97 . . . . 69.55 108.38 173.846 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 12.7 p -144.51 152.9 15.09 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 N-CA-C 108.249 -1.019 . . . . 76.71 108.249 -173.568 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 96.7 t -93.29 126.81 45.67 Favored 'Isoleucine or valine' 0 C--O 1.238 0.485 0 CA-C-N 115.628 -0.715 . . . . 78.11 109.997 -178.129 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -114.82 87.76 2.72 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 107.119 -1.437 . . . . 86.81 107.119 -179.036 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? 39.93 76.79 0.06 Allowed 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 122.63 1.205 . . . . 101.84 110.407 -166.312 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 40.3 mtm105 67.57 9.63 7.18 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 114.773 1.397 . . . . 88.4 114.773 170.477 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.997 HH21 ' HB2' ' A' ' 37' ' ' LYS . 0.7 OUTLIER -121.01 143.65 48.93 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 119.667 1.121 . . . . 92.61 110.513 170.017 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -94.65 130.24 41.2 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 122.911 0.484 . . . . 77.46 111.499 -170.573 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 50.2 t -133.84 140.93 45.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 N-CA-C 108.693 -0.854 . . . . 73.05 108.693 -170.238 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 11.3 t -66.66 135.99 27.52 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 N-CA-C 108.846 -0.798 . . . . 78.6 108.846 172.759 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -83.91 -151.28 0.12 Allowed 'General case' 0 C--O 1.237 0.427 0 N-CA-C 107.543 -1.28 . . . . 111.82 107.543 -178.036 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.8 p -151.54 10.73 0.58 Allowed 'General case' 0 C--N 1.352 0.699 0 N-CA-C 115.065 1.506 . . . . 111.58 115.065 -153.362 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.531 ' HB3' HG22 ' A' ' 81' ' ' VAL . 26.7 mt-10 -155.25 176.61 12.34 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-N 121.491 1.95 . . . . 124.8 111.937 -166.711 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.531 HG22 ' HB3' ' A' ' 80' ' ' GLU . 12.6 m . . . . . 0 C--O 1.243 0.762 0 N-CA-C 118.175 2.657 . . . . 118.63 118.175 160.556 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 44.1 p-90 . . . . . 0 N--CA 1.478 0.964 0 CA-C-O 121.054 0.454 . . . . 90.03 112.146 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.3 mtt85 -78.8 -47.24 17.09 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 116.052 -0.522 . . . . 101.47 111.027 177.396 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.678 ' O ' HG13 ' A' ' 91' ' ' VAL . 7.9 m120 -52.29 -33.72 43.42 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.241 -0.584 . . . . 92.18 110.331 170.227 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' MET . . . . . 0.422 ' O ' HG23 ' A' ' 92' ' ' ILE . 6.6 ttt -60.27 -49.9 75.77 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 119.539 -0.864 . . . . 75.12 109.949 176.841 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 15.3 tp -55.0 -56.87 14.95 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 120.881 0.372 . . . . 81.36 111.346 175.47 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 30.5 mtm180 -50.49 -33.57 21.85 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 112.75 0.648 . . . . 95.82 112.75 -177.22 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.678 HG13 ' O ' ' A' ' 87' ' ' ASN . 2.6 m -80.36 -20.77 11.69 Favored 'Isoleucine or valine' 0 C--O 1.242 0.705 0 C-N-CA 117.844 -1.542 . . . . 73.4 111.693 -176.858 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.422 HG23 ' O ' ' A' ' 88' ' ' MET . 3.3 pt -91.66 -32.93 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 118.711 -1.196 . . . . 83.37 111.131 -178.281 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 14.7 mm -57.19 -55.05 22.85 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.402 0 C-N-CA 119.82 -0.752 . . . . 82.92 109.244 167.512 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -50.62 -50.4 54.31 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.953 -0.567 . . . . 90.81 111.605 175.204 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -61.88 -32.4 72.76 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 119.063 -1.055 . . . . 78.07 110.678 173.949 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.99 -61.73 1.73 Allowed 'General case' 0 C--O 1.238 0.462 0 C-N-CA 119.907 -0.717 . . . . 82.53 110.673 -179.348 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.3 mt -61.11 -34.36 74.84 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.281 -0.418 . . . . 98.62 111.509 -174.494 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.48 6.31 0.32 Allowed 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.696 0.999 . . . . 88.07 113.696 178.039 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.239 0.519 0 CA-C-N 119.721 1.146 . . . . 98.84 110.986 178.274 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.406 ' N ' ' HZ2' ' B' ' 6' ' ' LYS . 26.5 mt . . . . . 0 N--CA 1.481 1.079 0 N-CA-C 113.844 1.053 . . . . 90.11 113.844 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.406 ' HZ2' ' N ' ' B' ' 5' ' ' ILE . 25.0 mmtm -121.1 135.18 55.23 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.835 -0.802 . . . . 92.2 108.835 -175.699 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.552 HD12 HG23 ' B' ' 15' ' ' ILE . 13.3 mm -93.23 113.37 27.99 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 N-CA-C 108.165 -1.05 . . . . 82.76 108.165 -179.562 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -81.29 101.13 9.56 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 107.195 -1.409 . . . . 78.52 107.195 171.942 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.469 HD23 ' HA ' ' B' ' 9' ' ' LEU . 7.3 mt -65.78 -34.26 77.76 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.22 -0.992 . . . . 90.84 112.278 -172.02 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -86.3 -5.38 59.19 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 114.483 1.29 . . . . 92.49 114.483 -173.859 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 27.6 t -73.74 154.28 39.67 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 118.819 -1.152 . . . . 83.84 110.436 -178.746 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 7.9 mmpt? -78.01 -14.19 59.6 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.46 -0.791 . . . . 88.06 112.308 173.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 85.3 m -64.69 135.96 96.58 Favored Pre-proline 0 C--N 1.328 -0.364 0 C-N-CA 119.695 -0.802 . . . . 74.1 109.863 172.041 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -63.13 152.7 78.3 Favored 'Trans proline' 0 C--N 1.331 -0.385 0 CA-C-O 122.419 0.925 . . . . 67.62 112.847 178.962 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.552 HG23 HD12 ' B' ' 7' ' ' ILE . 25.0 mm -57.11 -53.36 44.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 CA-C-N 114.593 -1.185 . . . . 69.4 111.036 -179.34 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -55.76 -41.62 74.27 Favored 'General case' 0 C--O 1.236 0.391 0 O-C-N 121.647 -0.658 . . . . 70.16 110.445 -179.14 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' LYS . . . . . 0.465 ' HE3' ' OE2' ' A' ' 65' ' ' GLU . 1.9 tptm -63.23 -43.17 98.84 Favored 'General case' 0 C--O 1.234 0.259 0 O-C-N 122.262 -0.274 . . . . 66.66 110.877 178.936 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -54.63 -54.6 39.4 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 120.92 0.39 . . . . 70.09 111.435 173.856 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 81.3 mt -53.92 -49.92 56.45 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 C-N-CA 120.539 -0.464 . . . . 68.76 110.553 177.958 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.49 -52.98 63.27 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.152 0.501 . . . . 69.73 111.441 -175.673 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -57.9 -44.54 86.85 Favored 'General case' 0 C--O 1.24 0.574 0 C-N-CA 120.211 -0.596 . . . . 74.68 111.103 -177.838 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.402 ' OE1' ' HA ' ' B' ' 5' ' ' ILE . 68.6 mt-30 -60.77 -47.77 84.81 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 119.741 -0.783 . . . . 74.34 111.39 -179.269 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.507 ' HA ' HD12 ' B' ' 26' ' ' LEU . 92.3 mt -57.99 -48.85 83.12 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 C-N-CA 120.465 -0.494 . . . . 67.38 110.811 175.809 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 81.2 mt -51.51 -41.99 28.26 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 CA-C-O 121.181 0.515 . . . . 69.05 110.29 176.179 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -53.66 -48.79 69.11 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 120.475 -0.49 . . . . 100.29 110.561 175.8 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.507 HD12 ' HA ' ' B' ' 23' ' ' ILE . 10.0 mt -61.31 -45.73 93.25 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 120.46 -0.496 . . . . 69.33 111.211 179.517 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 62.6 mt -58.47 -49.84 80.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 C-N-CA 119.081 -1.048 . . . . 76.28 109.698 176.754 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.52 -48.63 80.17 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 120.238 -0.585 . . . . 79.11 111.619 -179.973 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 23.4 mttp -72.63 19.42 0.08 Allowed 'General case' 0 C--O 1.233 0.231 0 O-C-N 121.61 -0.681 . . . . 91.6 112.312 -176.906 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 64.41 -17.95 0.11 Allowed Glycine 0 C--N 1.334 0.466 0 N-CA-C 116.181 1.232 . . . . 81.11 116.181 -177.595 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.625 ' HB3' ' O ' ' B' ' 215' ' ' HOH . 2.2 mt-10 -60.77 -17.81 51.22 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 119.064 1.432 . . . . 98.21 112.654 -178.185 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 mt -129.23 141.95 50.99 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 124.943 1.297 . . . . 72.5 107.743 171.699 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -153.81 173.44 4.68 Favored Pre-proline 0 C--N 1.311 -1.077 1 C-N-CA 111.56 -4.056 . . . . 103.78 114.957 -165.572 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_exo -58.38 134.77 63.59 Favored 'Trans proline' 0 C--N 1.326 -0.625 0 C-N-CA 120.302 0.668 . . . . 71.12 112.152 -169.411 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.83 -22.64 10.94 Favored Glycine 0 N--CA 1.435 -1.377 0 CA-C-N 115.048 -0.978 . . . . 66.26 114.421 -173.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -61.92 157.39 18.57 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 118.883 -1.127 . . . . 78.75 110.577 178.621 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.81 ' HG2' ' CZ ' ' B' ' 74' ' ' ARG . 1.4 mppt? -118.65 155.65 30.64 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 122.059 0.933 . . . . 95.03 110.975 178.525 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.49 HD11 HG21 ' B' ' 68' ' ' ILE . 7.0 mt -108.98 158.0 35.42 Favored Pre-proline 0 N--CA 1.442 -0.849 0 CA-C-N 113.96 -1.473 . . . . 70.58 111.169 -176.781 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.11 155.01 12.43 Favored 'Trans proline' 0 C--O 1.234 0.308 0 CA-C-O 121.753 0.647 . . . . 70.66 111.795 177.567 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 18.4 p -53.37 158.33 1.72 Allowed 'General case' 0 C--O 1.238 0.473 0 CA-C-N 115.426 -0.806 . . . . 75.22 109.239 169.42 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.51 HG23 HG12 ' B' ' 55' ' ' VAL . 17.0 mm -47.91 -43.85 10.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-N 115.519 -0.764 . . . . 73.38 110.001 169.367 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.536 ' NH2' ' O ' ' B' ' 202' ' ' HOH . 0.3 OUTLIER -81.04 -40.8 23.64 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 119.71 -0.796 . . . . 93.8 112.099 -173.676 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -51.31 -46.3 62.52 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.125 0.488 . . . . 93.21 111.643 174.416 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 6.8 tp -69.64 -42.78 73.8 Favored 'General case' 0 C--O 1.241 0.628 0 C-N-CA 120.09 -0.644 . . . . 73.38 110.643 177.308 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.5 -20.22 62.94 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 119.091 -0.48 . . . . 80.92 111.936 178.446 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.8 p -97.04 -34.17 11.27 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 113.056 0.761 . . . . 82.72 113.056 176.2 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 73.2 mtp -57.25 -65.02 0.69 Allowed 'General case' 0 C--O 1.237 0.405 0 N-CA-C 106.958 -1.497 . . . . 76.98 106.958 170.613 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 9.4 mt -65.28 162.94 16.35 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 122.264 1.03 . . . . 74.65 110.122 166.953 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -89.45 26.37 9.26 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 118.186 -1.959 . . . . 80.58 112.722 178.439 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 76.5 t -102.51 138.87 25.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 122.724 0.409 . . . . 77.15 110.231 -164.286 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' ASN . . . . . 0.442 ' OD1' ' HB2' ' B' ' 53' ' ' LEU . 11.8 p30 -65.28 157.71 28.29 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 117.799 -1.561 . . . . 76.55 110.163 176.925 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' MET . . . . . . . . . . . . . 1.9 ptm -70.39 -15.04 62.8 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.153 -0.93 . . . . 106.16 113.285 -174.119 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.442 ' HB2' ' OD1' ' B' ' 51' ' ' ASN . 2.7 mt -64.43 -46.71 82.04 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-N 118.989 0.813 . . . . 74.56 111.074 -179.873 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 5.6 p -81.81 -20.44 39.1 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 119.454 -0.899 . . . . 68.0 112.104 179.202 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.51 HG12 HG23 ' B' ' 41' ' ' ILE . 4.3 t -69.88 -43.28 79.74 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.52 0 C-N-CA 117.491 -1.684 . . . . 64.34 109.404 170.095 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' ASN . . . . . 0.476 ' HA ' HD12 ' B' ' 41' ' ' ILE . 13.5 t-20 -55.43 -36.73 66.82 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 119.105 -1.038 . . . . 66.35 110.068 177.192 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -73.61 -41.45 62.81 Favored 'General case' 0 CA--C 1.511 -0.539 0 C-N-CA 118.918 -1.113 . . . . 80.77 110.758 -174.123 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.66 -51.29 60.84 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.017 -0.538 . . . . 65.84 111.09 173.324 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -59.9 -51.17 70.83 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 118.833 -1.147 . . . . 63.8 109.971 179.65 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -64.37 -17.44 63.74 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 119.754 -0.778 . . . . 67.83 111.883 -178.605 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -73.13 -39.97 65.29 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 119.977 -0.689 . . . . 64.57 110.9 169.428 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 18.6 mt -69.0 -29.94 68.24 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 119.999 -0.68 . . . . 61.41 110.868 177.743 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 69.2 t -67.2 -48.9 77.06 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 C-N-CA 120.819 -0.352 . . . . 68.8 110.791 178.428 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -67.02 -38.24 85.58 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 111.91 0.337 . . . . 74.88 111.91 -177.758 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -64.53 -25.47 68.0 Favored 'General case' 0 CA--C 1.515 -0.387 0 O-C-N 121.955 -0.465 . . . . 73.86 112.076 176.91 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 109.17 9.19 26.28 Favored Glycine 0 N--CA 1.442 -0.93 0 N-CA-C 115.918 1.127 . . . . 63.7 115.918 -178.143 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -88.49 -38.89 14.62 Favored 'General case' 0 C--O 1.243 0.715 0 CA-C-N 118.943 1.372 . . . . 65.71 113.166 -167.447 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' ILE . . . . . 0.49 HG21 HD11 ' B' ' 38' ' ' LEU . 31.9 pt -128.87 172.51 15.17 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.494 0 CA-C-O 121.682 0.753 . . . . 60.85 109.011 -178.906 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.0 p -156.88 133.3 2.0 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-N 115.089 -0.959 . . . . 65.18 108.888 -173.782 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.516 ' HA ' ' O ' ' B' ' 74' ' ' ARG . 63.1 t -71.84 128.39 34.8 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 N-CA-C 109.323 -0.621 . . . . 65.69 109.323 176.611 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.412 ' HG3' HG21 ' B' ' 76' ' ' VAL . 16.1 mm100 -109.13 -56.63 2.26 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.004 -0.679 . . . . 93.28 111.655 -174.443 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 15.1 mmtm -110.46 -91.08 0.47 Allowed 'General case' 0 C--O 1.255 1.387 0 N-CA-C 105.189 -2.152 . . . . 90.23 105.189 167.478 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 -115.97 36.49 4.02 Favored 'General case' 0 CA--C 1.516 -0.354 0 O-C-N 120.212 -1.555 . . . . 119.67 108.641 163.639 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.81 ' CZ ' ' HG2' ' B' ' 37' ' ' LYS . 4.1 mmm180 -127.51 134.77 49.77 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-N 114.665 -1.152 . . . . 104.82 110.074 -163.412 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -89.17 122.89 32.91 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.984 -1.007 . . . . 71.43 108.39 176.592 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.724 HG22 ' HG3' ' B' ' 37' ' ' LYS . 96.2 t -133.46 133.12 57.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 C-N-CA 122.854 0.462 . . . . 65.0 110.431 -163.903 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 53.5 t -59.06 127.8 18.85 Favored 'Isoleucine or valine' 0 C--O 1.238 0.492 0 N-CA-C 109.382 -0.599 . . . . 60.64 109.382 176.662 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.79 130.93 48.07 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.725 0.774 . . . . 94.72 111.088 -176.008 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 1.1 t -110.81 -20.78 12.36 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 124.379 1.072 . . . . 81.73 113.199 177.088 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -79.87 129.24 34.32 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 122.853 0.461 . . . . 85.39 111.299 -169.006 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.506 HG12 ' N ' ' B' ' 82' ' ' ARG . 89.3 t -127.7 171.78 15.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 N-CA-C 107.445 -1.317 . . . . 89.43 107.445 -179.104 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' ARG . . . . . 0.506 ' N ' HG12 ' B' ' 81' ' ' VAL . 8.4 mmt180 81.49 -18.21 0.5 Allowed 'General case' 0 C--O 1.239 0.505 0 C-N-CA 128.256 2.622 . . . . 100.63 111.343 177.788 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 54.3 p30 -70.95 -177.72 1.71 Allowed 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 121.602 0.715 . . . . 92.35 109.512 178.365 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' GLU . . . . . 0.55 ' OE2' ' NH1' ' B' ' 87' ' ' ARG . 4.5 mm-40 -78.56 -24.21 45.69 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 115.934 -0.575 . . . . 82.57 112.152 178.747 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 8.1 t -63.23 -44.32 95.59 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.934 -0.306 . . . . 86.43 110.74 176.697 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' TRP . . . . . 0.41 ' CZ3' ' HB ' ' A' ' 92' ' ' ILE . 42.8 t-105 -43.6 -55.02 4.55 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 122.765 0.426 . . . . 87.79 111.475 167.319 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' ARG . . . . . 0.55 ' NH1' ' OE2' ' B' ' 84' ' ' GLU . 12.2 mtt180 -69.08 -33.72 73.98 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 111.924 0.342 . . . . 80.97 111.924 -173.438 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' ASN . . . . . 0.621 ' OD1' ' NH1' ' B' ' 91' ' ' ARG . 57.4 m-20 -59.93 -49.82 76.18 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 119.576 -0.85 . . . . 77.76 110.869 176.94 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' MET . . . . . 0.43 ' O ' HG13 ' B' ' 93' ' ' ILE . 39.6 mtp -55.62 -40.37 72.02 Favored 'General case' 0 C--O 1.235 0.311 0 O-C-N 122.256 -0.278 . . . . 72.98 111.401 -177.562 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 1.3 tt -55.71 -55.38 32.87 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.775 -0.37 . . . . 80.49 111.109 173.807 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' ARG . . . . . 0.621 ' NH1' ' OD1' ' B' ' 88' ' ' ASN . 18.8 mtt180 -51.66 -43.39 62.65 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 120.757 0.313 . . . . 86.86 111.099 179.53 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 14.5 t -60.06 -41.8 87.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 C-N-CA 119.968 -0.693 . . . . 65.99 109.928 176.909 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' ILE . . . . . 0.43 HG13 ' O ' ' B' ' 89' ' ' MET . 82.0 mt -61.72 -51.74 69.08 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 O-C-N 121.65 -0.656 . . . . 73.41 110.78 -179.159 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 1.6 pt -69.13 -32.95 56.09 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 C-N-CA 116.995 -1.882 . . . . 77.4 109.9 179.679 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -68.31 -39.82 81.89 Favored 'General case' 0 CA--C 1.508 -0.65 0 C-N-CA 118.008 -1.477 . . . . 77.2 110.59 -176.876 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 42.8 mtp85 -71.95 -29.66 64.5 Favored 'General case' 0 CA--C 1.511 -0.528 0 C-N-CA 120.047 -0.661 . . . . 77.87 110.453 178.272 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.78 -54.4 35.81 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.287 -0.565 . . . . 79.93 110.18 175.545 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 3.6 mt -59.03 -30.55 68.1 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 120.382 -0.527 . . . . 83.31 111.402 -179.109 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -81.13 5.35 17.03 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 112.704 0.631 . . . . 84.58 112.704 -177.56 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 1.2 m -118.83 32.77 5.96 Favored 'General case' 0 CA--C 1.521 -0.167 0 C-N-CA 123.607 0.763 . . . . 93.52 110.461 175.631 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 63.85 44.18 5.01 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 123.436 0.694 . . . . 105.98 111.511 172.767 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' MET . . . . . . . . . . . . . 37.3 mtp -111.02 137.33 48.78 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 121.803 -0.56 . . . . 97.79 109.714 175.993 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' SER . . . . . 0.647 ' O ' HG23 ' B' ' 107' ' ' ILE . 1.0 OUTLIER -59.89 161.17 6.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.503 0.668 . . . . 106.06 110.139 173.181 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' LYS . . . . . 0.421 ' O ' HG12 ' B' ' 108' ' ' VAL . 8.5 ptmt -77.74 -36.26 50.97 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 117.959 -1.496 . . . . 111.16 110.886 169.233 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.13 -48.27 76.56 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 120.994 0.426 . . . . 118.48 110.367 167.906 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -51.62 -62.24 1.75 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.487 -0.324 . . . . 113.83 110.821 178.567 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' ILE . . . . . 0.959 HD12 ' N ' ' B' ' 108' ' ' VAL . 1.8 pp -56.4 -49.16 78.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-O 120.851 0.358 . . . . 106.62 110.912 -165.544 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' VAL . . . . . 0.959 ' N ' HD12 ' B' ' 107' ' ' ILE . 7.6 p -78.59 -29.25 14.65 Favored 'Isoleucine or valine' 0 C--O 1.24 0.581 0 C-N-CA 118.479 -1.288 . . . . 105.03 110.949 -171.727 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' ASN . . . . . 0.564 ' O ' ' HG2' ' B' ' 113' ' ' ARG . 47.0 m-20 -47.52 -44.62 25.89 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 119.88 -0.728 . . . . 114.47 110.252 161.8 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -83.71 -19.67 34.83 Favored 'General case' 0 C--N 1.344 0.36 0 N-CA-C 112.928 0.714 . . . . 117.18 112.928 -177.347 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' ILE . . . . . 0.445 ' O ' HG22 ' B' ' 114' ' ' VAL . 12.3 mt -66.09 -49.9 73.07 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 C-N-CA 119.677 -0.809 . . . . 102.38 109.897 173.327 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -54.89 -37.13 65.92 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 116.538 -0.301 . . . . 122.43 111.309 175.685 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' ARG . . . . . 0.564 ' HG2' ' O ' ' B' ' 109' ' ' ASN . 68.4 mmt-85 -64.81 -21.13 66.72 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 119.747 -0.781 . . . . 128.56 112.489 -176.842 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' VAL . . . . . 0.445 HG22 ' O ' ' B' ' 111' ' ' ILE . 10.5 m -97.52 -30.22 3.71 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-N 119.02 0.827 . . . . 113.88 110.885 -178.649 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.436 HG23 ' O ' ' B' ' 111' ' ' ILE . 20.6 t -64.25 -55.48 21.58 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 CA-C-O 121.649 0.738 . . . . 110.63 109.693 176.489 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 1.4 m -52.88 -39.11 62.4 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 116.124 -0.489 . . . . 114.71 111.022 174.987 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -59.95 -52.61 64.69 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 120.561 0.22 . . . . 120.71 111.552 -169.335 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 10.3 m -91.47 0.08 9.31 Favored 'Isoleucine or valine' 0 C--O 1.24 0.581 0 N-CA-C 113.044 0.757 . . . . 127.98 113.044 -172.537 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -67.7 3.36 1.45 Allowed 'General case' 0 C--O 1.238 0.465 0 C-N-CA 117.093 -1.843 . . . . 119.05 112.414 170.747 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 CA--C 1.532 0.282 0 N-CA-C 114.091 1.145 . . . . 123.68 114.091 148.907 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . 0.502 ' O ' ' ND2' ' A' ' 56' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . 0.446 ' O ' ' HB3' ' A' ' 37' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' HOH . . . . . 0.536 ' O ' ' NH2' ' B' ' 42' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 213' ' ' HOH . . . . . 0.441 ' O ' HG12 ' B' ' 41' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 215' ' ' HOH . . . . . 0.625 ' O ' ' HB3' ' B' ' 31' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_