data_6ple_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 6ple _Structure_validation_residue.Date_analyzed 2019-11-01 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 ' 2' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_endo . . . . . 0 C--O 1.235 0.355 0 CA-C-O 122.427 0.928 . . . . 39.35 112.099 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.9 m -118.71 165.3 14.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 N-CA-C 107.401 -1.333 . . . . 39.73 107.401 178.306 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.0 t -135.0 132.61 53.43 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.534 0 N-CA-C 107.616 -1.253 . . . . 37.29 107.616 176.636 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LYS . . . . . 0.409 ' NZ ' ' OD1' ' A' ' 60' ' ' ASP . 1.7 mptt -112.7 122.76 48.6 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 107.091 -1.448 . . . . 38.12 107.091 175.055 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 10.3 mt -111.11 133.78 55.55 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.459 0 N-CA-C 108.285 -1.005 . . . . 40.41 108.285 176.038 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 -118.43 108.53 15.15 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 108.096 -1.076 . . . . 37.93 108.096 -178.685 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.88 101.36 12.25 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.309 -0.996 . . . . 37.14 108.309 177.504 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.4 mt -91.48 132.62 35.48 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 N-CA-C 109.405 -0.591 . . . . 39.55 109.405 -177.383 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -99.08 132.37 44.44 Favored 'General case' 0 CA--C 1.521 -0.15 0 N-CA-C 109.732 -0.47 . . . . 45.91 109.732 177.263 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.0 m -135.85 129.17 18.12 Favored Pre-proline 0 C--O 1.239 0.546 0 N-CA-C 107.112 -1.44 . . . . 52.92 107.112 -175.04 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -60.28 162.99 15.65 Favored 'Trans proline' 0 C--N 1.326 -0.627 0 N-CA-C 109.662 -0.938 . . . . 49.5 109.662 177.509 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.78 133.95 51.33 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.106 -0.952 . . . . 57.17 111.157 -174.121 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.65 5.24 90.07 Favored Glycine 0 N--CA 1.444 -0.778 0 CA-C-O 118.687 -1.063 . . . . 54.09 115.453 172.192 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -105.29 -2.38 24.08 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-N 118.493 1.146 . . . . 54.03 112.91 177.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.29 -41.38 86.94 Favored Glycine 0 N--CA 1.443 -0.863 0 N-CA-C 115.286 0.874 . . . . 51.18 115.286 170.035 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -56.92 -41.88 70.52 Favored 'Trans proline' 0 C--O 1.241 0.668 0 CA-C-N 119.363 1.581 . . . . 56.54 111.968 170.285 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -60.8 -57.5 12.42 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 120.702 0.287 . . . . 75.45 111.486 176.212 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.6 tp -54.18 -25.64 23.73 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 119.824 -0.75 . . . . 52.89 111.815 174.785 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -77.12 -50.29 13.35 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 118.925 -1.11 . . . . 55.43 111.532 179.031 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.1 mmtm -52.57 -24.33 8.06 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 120.769 -0.372 . . . . 66.58 111.986 173.137 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ARG . . . . . 0.675 ' NH1' ' O2D' ' A' ' 301' ' ' BLA . 5.9 mtt180 -77.64 -31.78 52.92 Favored 'General case' 0 C--N 1.344 0.329 0 N-CA-C 112.552 0.575 . . . . 56.76 112.552 177.809 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -73.15 -24.28 60.56 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 117.63 -1.628 . . . . 68.27 110.247 172.392 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.11 -71.54 0.64 Allowed 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.891 0.377 . . . . 65.19 110.22 -178.269 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . . . -84.45 51.89 2.22 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 123.654 0.782 . . . . 68.29 111.397 -175.183 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . . . -155.89 -78.71 0.09 Allowed 'General case' 0 C--O 1.233 0.234 0 N-CA-C 113.721 1.008 . . . . 73.46 113.721 174.782 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -164.78 74.67 0.26 Allowed 'General case' 0 CA--C 1.517 -0.303 0 C-N-CA 118.79 -1.164 . . . . 74.29 113.244 -178.779 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . . . -77.08 35.87 0.17 Allowed 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 112.469 0.544 . . . . 64.8 112.469 177.053 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -112.52 105.82 14.13 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 118.901 0.773 . . . . 73.24 110.646 -161.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . . . -166.35 8.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.361 0 N-CA-C 106.307 -1.738 . . . . 71.9 106.307 -178.85 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . . . -78.07 -10.36 59.58 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 112.579 0.585 . . . . 72.06 112.579 179.202 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -105.45 17.09 24.47 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 117.632 0.196 . . . . 77.65 111.5 170.056 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.1 t -74.11 138.93 75.7 Favored Pre-proline 0 N--CA 1.449 -0.509 0 N-CA-C 109.046 -0.724 . . . . 55.92 109.046 164.807 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -73.43 139.01 28.1 Favored 'Trans proline' 0 C--N 1.329 -0.49 0 CA-C-N 118.525 0.509 . . . . 37.25 111.112 -170.256 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.18 -1.99 46.35 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 115.621 1.008 . . . . 42.14 115.621 -171.302 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -72.58 137.17 46.02 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-N 118.888 1.344 . . . . 59.94 110.01 178.643 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.4 mt -121.32 27.25 8.44 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.261 -0.427 . . . . 53.65 110.744 -179.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.56 153.14 6.68 Favored Glycine 0 C--N 1.339 0.728 0 N-CA-C 116.962 1.545 . . . . 50.4 116.962 177.302 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -123.14 158.74 30.07 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-O 121.533 0.682 . . . . 49.68 111.494 -177.318 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -112.64 141.51 46.33 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 115.402 -0.817 . . . . 51.7 109.861 163.392 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.5 tp -104.27 118.46 36.69 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.35 -1.352 . . . . 45.5 107.35 168.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 73.5 mt -109.39 121.41 45.13 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 108.91 -0.774 . . . . 38.71 108.91 -173.749 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.3 ttp85 -84.81 126.57 67.98 Favored Pre-proline 0 C--N 1.349 0.581 0 C-N-CA 123.455 0.702 . . . . 56.63 110.04 172.828 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -78.01 145.32 22.09 Favored 'Trans proline' 0 C--N 1.326 -0.612 0 CA-C-O 121.702 0.626 . . . . 39.1 111.617 -175.67 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.4 m -123.23 -44.1 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-N 114.801 -1.09 . . . . 52.28 111.997 176.442 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -149.02 162.05 40.69 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 108.314 -0.995 . . . . 60.81 108.314 176.837 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.85 -10.76 1.07 Allowed Glycine 0 N--CA 1.445 -0.731 0 CA-C-N 114.373 -1.285 . . . . 50.59 113.966 -166.131 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' GLU . . . . . 0.498 ' OE1' ' NH2' ' A' ' 50' ' ' ARG . 4.8 mm-40 -153.91 154.19 33.41 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 118.705 1.253 . . . . 50.5 111.999 -164.981 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -125.59 -5.26 7.06 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 114.731 -1.122 . . . . 75.49 113.025 173.508 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ARG . . . . . 0.498 ' NH2' ' OE1' ' A' ' 48' ' ' GLU . 58.7 mtm180 -96.5 139.22 32.92 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 124.066 0.946 . . . . 37.0 110.945 -178.788 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -68.31 137.03 54.34 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 109.326 -0.62 . . . . 38.24 109.326 168.079 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -105.73 134.24 49.17 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.083 -1.08 . . . . 35.62 108.083 173.621 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.7 t -107.36 110.66 32.64 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.637 0 N-CA-C 106.254 -1.758 . . . . 38.58 106.254 167.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.6 t -104.1 119.82 53.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 107.881 -1.155 . . . . 41.27 107.881 178.628 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' THR . . . . . 0.481 ' OG1' ' NE1' ' A' ' 57' ' ' TRP . 8.7 p -125.4 134.4 52.15 Favored 'General case' 0 CA--C 1.52 -0.191 0 C-N-CA 123.912 0.885 . . . . 40.89 108.899 -177.33 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -105.6 153.9 21.15 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 109.337 -0.616 . . . . 47.53 109.337 172.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' TRP . . . . . 0.481 ' NE1' ' OG1' ' A' ' 55' ' ' THR . 14.0 m95 -150.71 152.5 34.0 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 108.8 -0.815 . . . . 36.54 108.8 -177.94 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -65.45 -30.84 71.67 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 115.659 -0.7 . . . . 54.86 111.487 -179.086 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.5 p -158.58 172.65 17.91 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 106.957 -1.497 . . . . 41.93 106.957 -173.083 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ASP . . . . . 0.409 ' OD1' ' NZ ' ' A' ' 5' ' ' LYS . 26.7 t70 -75.28 -33.66 61.26 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 117.802 -1.559 . . . . 42.92 111.353 174.432 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -57.62 -36.19 71.48 Favored 'General case' 0 C--O 1.238 0.494 0 O-C-N 123.086 0.242 . . . . 53.49 110.927 174.525 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.2 -47.72 80.57 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 120.154 -0.618 . . . . 38.16 110.872 169.716 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -60.81 -47.38 86.63 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 119.341 -0.944 . . . . 38.55 111.5 178.749 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -65.25 -26.75 68.24 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 119.401 -0.92 . . . . 50.71 112.135 -176.57 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.32 -40.3 81.69 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 117.859 -1.536 . . . . 48.68 110.18 174.195 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 33.0 t-105 -68.52 -62.63 1.31 Allowed 'General case' 0 C--O 1.239 0.538 0 C-N-CA 119.572 -0.851 . . . . 56.42 110.336 178.184 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -54.17 -54.62 37.26 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 112.046 0.387 . . . . 58.96 112.046 -174.577 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -82.74 0.61 42.75 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 113.27 0.841 . . . . 57.63 113.27 -176.619 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -108.15 -104.28 2.91 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 119.934 -1.127 . . . . 48.9 112.525 174.382 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -72.84 -6.53 19.19 Favored 'Trans proline' 0 C--O 1.244 0.784 0 C-N-CA 121.534 1.489 . . . . 54.67 115.877 -176.608 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -81.46 -36.17 29.68 Favored 'General case' 0 CA--C 1.514 -0.415 0 C-N-CA 117.573 -1.651 . . . . 58.92 111.117 -174.223 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.8 mt -54.04 -29.01 18.2 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 C-N-CA 119.7 -0.8 . . . . 65.46 112.144 179.647 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -110.49 3.43 19.56 Favored 'General case' 0 C--O 1.244 0.791 0 N-CA-C 113.635 0.976 . . . . 64.67 113.635 -175.161 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.46 150.21 27.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.574 0.702 . . . . 60.57 111.066 -174.515 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 53.1 m80 52.92 45.58 28.51 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.516 -0.765 . . . . 58.42 112.618 172.232 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.05 -48.42 73.47 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 120.012 -0.675 . . . . 59.51 111.359 -175.097 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -64.18 -43.11 97.59 Favored Glycine 0 C--N 1.338 0.648 0 C-N-CA 119.922 -1.132 . . . . 64.69 112.944 -175.623 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -62.91 -36.65 84.09 Favored 'General case' 0 C--O 1.235 0.297 0 O-C-N 122.292 -0.534 . . . . 59.23 111.189 178.611 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 58.3 mtp180 -76.95 -21.05 55.36 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 113.181 0.808 . . . . 60.54 113.181 173.811 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.3 -34.21 63.43 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 119.08 -1.048 . . . . 64.32 110.894 172.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -120.03 86.49 37.07 Favored Pre-proline 0 C--O 1.239 0.516 0 N-CA-C 105.374 -2.084 . . . . 71.36 105.374 172.545 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo -93.03 148.2 2.52 Favored 'Trans proline' 0 C--N 1.327 -0.568 0 CA-C-O 122.393 0.914 . . . . 62.31 111.445 -172.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 p -97.51 -24.34 4.41 Favored 'Isoleucine or valine' 0 C--O 1.243 0.711 0 CA-C-N 114.477 -1.238 . . . . 59.13 110.749 176.326 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -78.44 153.86 31.1 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.604 0.762 . . . . 48.89 111.32 174.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 22.4 p -122.0 7.06 9.78 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 113.583 0.957 . . . . 44.46 113.583 176.778 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -178.56 172.62 45.0 Favored Glycine 0 C--N 1.332 0.33 0 N-CA-C 110.448 -1.061 . . . . 43.78 110.448 -178.45 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -169.19 156.44 7.06 Favored 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 108.72 -0.845 . . . . 34.45 108.72 178.255 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.3 m -142.9 139.78 30.92 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 108.484 -0.932 . . . . 39.52 108.484 169.069 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.8 tp -102.08 105.65 16.41 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 107.264 -1.384 . . . . 44.3 107.264 179.282 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.7 mt -94.89 127.09 40.66 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 107.36 -1.348 . . . . 34.77 107.36 173.333 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -121.7 132.37 54.6 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 123.178 0.591 . . . . 49.83 110.546 -171.295 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -136.76 159.3 42.25 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 115.778 -0.647 . . . . 35.11 110.415 -170.536 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -105.9 136.31 45.77 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 108.933 -0.765 . . . . 67.88 108.933 163.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 44.8 t -78.37 111.4 15.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 C-N-CA 123.315 0.646 . . . . 44.53 109.354 -179.517 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.6 t -103.91 -17.34 7.28 Favored 'Isoleucine or valine' 0 C--O 1.241 0.649 0 N-CA-C 113.256 0.835 . . . . 43.66 113.256 -174.304 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.7 tt -155.19 162.7 40.88 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 118.848 0.749 . . . . 48.93 110.094 179.915 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 18.5 t0 . . . . . 0 N--CA 1.472 0.666 0 N-CA-C 115.458 1.651 . . . . 62.35 115.458 -178.435 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_endo . . . . . 0 CA--C 1.539 0.726 0 CA-C-O 122.54 0.975 . . . . 37.96 111.972 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 3.8 m -117.76 166.15 12.39 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.653 0 N-CA-C 107.396 -1.335 . . . . 38.29 107.396 178.574 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 11.2 t -135.09 131.0 52.29 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.665 0 N-CA-C 107.079 -1.452 . . . . 39.48 107.079 177.828 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' LYS . . . . . 0.428 ' NZ ' ' OD1' ' B' ' 60' ' ' ASP . 69.5 mmtt -112.33 125.65 54.41 Favored 'General case' 0 CA--C 1.507 -0.702 0 N-CA-C 106.604 -1.628 . . . . 36.26 106.604 173.066 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 7.9 mt -111.21 134.31 53.95 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.475 0 N-CA-C 107.882 -1.155 . . . . 40.77 107.882 175.271 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -118.64 107.96 14.35 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 107.634 -1.247 . . . . 37.31 107.634 -179.792 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.76 100.49 10.95 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.724 -1.213 . . . . 36.77 107.724 177.232 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 12.9 mt -89.51 132.03 35.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 108.464 -0.939 . . . . 41.0 108.464 -177.967 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -97.66 131.68 44.0 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 108.885 -0.783 . . . . 44.83 108.885 177.462 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 p -137.0 129.15 17.0 Favored Pre-proline 0 C--O 1.242 0.663 0 N-CA-C 107.328 -1.36 . . . . 55.98 107.328 -174.551 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -61.02 163.86 15.59 Favored 'Trans proline' 0 C--N 1.331 -0.376 0 CA-C-O 122.039 0.766 . . . . 51.99 110.752 178.677 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.98 132.74 53.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.01 -0.995 . . . . 55.89 111.936 -173.787 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.69 4.56 90.32 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 115.613 1.005 . . . . 59.96 115.613 172.152 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -105.28 -0.66 26.11 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 118.351 1.075 . . . . 53.06 112.781 178.0 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.64 -41.35 81.91 Favored Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 114.646 0.619 . . . . 52.57 114.646 170.231 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -57.43 -42.6 59.91 Favored 'Trans proline' 0 C--O 1.24 0.579 0 CA-C-N 119.207 1.503 . . . . 57.14 113.081 169.345 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -60.7 -57.38 12.96 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.153 -0.619 . . . . 77.16 110.441 175.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 16.2 tp -54.38 -25.03 22.15 Favored 'General case' 0 C--N 1.343 0.286 0 C-N-CA 120.211 -0.596 . . . . 53.1 111.966 173.704 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -76.78 -49.3 16.24 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 118.852 -1.139 . . . . 57.62 111.625 178.035 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 15.0 mmtm -51.78 -27.97 13.94 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 120.336 -0.546 . . . . 73.46 112.394 173.167 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' ARG . . . . . 0.667 ' NH1' ' O2D' ' B' ' 203' ' ' BLA . 24.9 mtt180 -77.2 -32.96 56.33 Favored 'General case' 0 CA--C 1.518 -0.275 0 C-N-CA 119.667 -0.813 . . . . 57.57 112.171 -178.96 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -75.93 -25.86 56.37 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 117.772 -1.571 . . . . 70.96 111.116 173.91 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.75 -74.85 0.52 Allowed 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 109.684 -0.487 . . . . 69.64 109.684 -178.103 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . . . -86.1 43.4 1.05 Allowed 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 116.495 -0.32 . . . . 62.7 111.443 -176.634 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . . . -166.01 66.28 0.11 Allowed 'General case' 0 C--O 1.241 0.606 0 N-CA-C 114.295 1.22 . . . . 68.13 114.295 175.135 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 66.33 69.02 0.43 Allowed 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.276 1.03 . . . . 69.46 113.02 172.755 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . . . -83.92 31.64 0.49 Allowed 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 115.219 -0.9 . . . . 67.46 111.701 173.68 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -117.5 108.71 15.84 Favored 'General case' 0 C--O 1.238 0.471 0 N-CA-C 113.515 0.932 . . . . 77.43 113.515 -157.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . . . -163.99 17.64 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.518 -0.282 0 N-CA-C 105.507 -2.034 . . . . 72.38 105.507 179.235 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . . . -77.24 -8.37 57.47 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 112.734 0.642 . . . . 73.05 112.734 -179.123 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -106.05 18.15 22.5 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 122.82 0.448 . . . . 75.59 111.459 170.483 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 7.9 t -73.39 137.81 78.08 Favored Pre-proline 0 N--CA 1.456 -0.158 0 N-CA-C 108.753 -0.832 . . . . 54.53 108.753 164.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -71.46 139.86 35.38 Favored 'Trans proline' 0 C--N 1.33 -0.446 0 CA-C-N 118.534 0.512 . . . . 37.56 112.058 -168.403 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.77 -1.76 36.44 Favored Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 115.688 1.035 . . . . 45.48 115.688 -171.718 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -72.15 138.94 48.02 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 119.07 1.435 . . . . 57.33 109.752 178.583 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 39.3 mt -123.23 26.08 8.14 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.123 -0.489 . . . . 50.98 110.797 179.531 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.87 152.94 5.91 Favored Glycine 0 C--N 1.338 0.651 0 N-CA-C 117.408 1.723 . . . . 50.6 117.408 177.496 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -123.19 159.86 27.75 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-O 121.867 0.842 . . . . 50.21 111.882 -177.813 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -111.81 141.62 45.21 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.213 -0.903 . . . . 50.91 109.395 162.729 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 22.8 tp -104.09 119.91 39.96 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 107.467 -1.308 . . . . 43.25 107.467 167.801 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 77.4 mt -109.11 122.36 47.12 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.158 -0.682 . . . . 40.99 109.158 -174.428 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 24.2 ttp85 -85.6 126.66 65.83 Favored Pre-proline 0 N--CA 1.448 -0.535 0 N-CA-C 109.513 -0.551 . . . . 57.39 109.513 172.659 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -77.27 146.11 24.75 Favored 'Trans proline' 0 CA--C 1.512 -0.596 0 CA-C-N 118.832 0.619 . . . . 39.59 110.964 -175.767 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 25.6 m -123.87 -43.6 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 CA-C-N 114.855 -1.066 . . . . 59.49 112.039 177.189 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -149.81 162.22 40.71 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 108.13 -1.063 . . . . 59.01 108.13 175.43 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.19 -11.32 1.08 Allowed Glycine 0 C--N 1.337 0.606 0 CA-C-N 114.759 -1.11 . . . . 51.32 114.093 -166.305 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' GLU . . . . . 0.612 ' OE1' ' NH2' ' B' ' 50' ' ' ARG . 3.8 mm-40 -153.96 154.49 33.89 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 118.297 -1.361 . . . . 49.41 111.378 -166.116 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -126.0 -4.94 6.85 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 114.31 -1.314 . . . . 79.82 112.598 173.294 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' ARG . . . . . 0.612 ' NH2' ' OE1' ' B' ' 48' ' ' GLU . 59.3 mtm180 -96.15 139.98 31.52 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 118.495 0.589 . . . . 38.93 109.984 -178.629 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -68.47 138.04 54.92 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 109.222 -0.658 . . . . 41.66 109.222 167.316 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -105.36 135.67 46.31 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 108.097 -1.075 . . . . 35.89 108.097 173.475 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 10.7 t -108.85 111.52 36.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 105.874 -1.898 . . . . 36.99 105.874 166.302 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 38.8 t -104.58 119.29 53.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 108.103 -1.073 . . . . 39.71 108.103 178.199 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' THR . . . . . 0.479 ' OG1' ' NE1' ' B' ' 57' ' ' TRP . 6.4 p -124.4 134.11 53.21 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 124.264 1.026 . . . . 41.19 108.699 -177.282 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -106.15 154.25 20.95 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 109.188 -0.671 . . . . 46.28 109.188 171.758 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' TRP . . . . . 0.479 ' NE1' ' OG1' ' B' ' 55' ' ' THR . 12.6 m95 -151.34 153.95 35.76 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 108.352 -0.981 . . . . 37.46 108.352 -177.694 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -65.29 -30.25 71.1 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 120.152 -0.619 . . . . 61.65 111.834 -179.323 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 5.4 p -159.17 172.96 17.12 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 107.248 -1.39 . . . . 41.59 107.248 -173.202 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' ASP . . . . . 0.519 ' OD2' ' NE2' ' B' ' 64' ' ' GLN . 34.2 t70 -74.8 -33.03 62.16 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 118.376 -1.33 . . . . 46.11 111.087 175.168 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -58.73 -36.27 74.03 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.846 -0.342 . . . . 55.77 111.409 174.395 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.27 -47.55 81.14 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 119.685 -0.806 . . . . 38.87 110.438 170.684 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -60.56 -45.95 92.01 Favored 'General case' 0 C--O 1.239 0.534 0 C-N-CA 119.935 -0.706 . . . . 38.73 111.366 177.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' GLN . . . . . 0.519 ' NE2' ' OD2' ' B' ' 60' ' ' ASP . 53.5 mm-40 -64.46 -30.6 71.63 Favored 'General case' 0 C--N 1.342 0.259 0 C-N-CA 119.655 -0.818 . . . . 49.16 111.861 -176.765 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.65 -39.8 81.61 Favored 'General case' 0 CA--C 1.519 -0.229 0 C-N-CA 118.752 -1.179 . . . . 48.59 110.388 175.523 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' TRP . . . . . . . . . . . . . 31.8 t-105 -67.97 -62.75 1.26 Allowed 'General case' 0 C--O 1.24 0.553 0 C-N-CA 119.602 -0.839 . . . . 55.23 109.996 177.596 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -54.92 -56.23 21.87 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 111.869 0.322 . . . . 59.32 111.869 -174.703 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -81.71 0.16 40.14 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 113.276 0.843 . . . . 58.34 113.276 -173.989 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -109.2 -103.57 2.83 Favored Glycine 0 N--CA 1.442 -0.95 0 CA-C-O 121.819 0.677 . . . . 52.3 112.557 174.5 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo -72.59 -6.92 19.96 Favored 'Trans proline' 0 C--O 1.242 0.721 0 N-CA-C 115.574 1.336 . . . . 53.3 115.574 -174.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -84.37 -38.34 20.43 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 117.817 -1.553 . . . . 59.69 110.989 -174.014 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . 0.278 3.0 mt -55.54 -22.57 12.46 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 C-N-CA 117.624 -1.63 . . . . 70.8 112.519 176.68 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -110.02 3.45 20.4 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 120.172 1.351 . . . . 64.16 114.375 178.635 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.71 152.75 26.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 119.027 0.83 . . . . 61.96 112.381 -172.869 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 69.9 m80 51.22 43.64 29.15 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.329 -0.851 . . . . 57.56 111.525 171.438 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.08 -47.93 71.2 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-N 116.024 -0.535 . . . . 56.75 111.409 -173.91 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.87 -41.98 99.77 Favored Glycine 0 C--N 1.334 0.447 0 C-N-CA 119.65 -1.262 . . . . 61.15 112.36 -175.935 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -62.99 -38.35 90.79 Favored 'General case' 0 CA--C 1.518 -0.255 0 O-C-N 122.44 -0.447 . . . . 57.02 111.544 179.804 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -76.11 -20.84 57.3 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 113.013 0.746 . . . . 57.75 113.013 174.047 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.67 -33.07 62.4 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 118.938 -1.105 . . . . 62.19 111.05 173.311 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -120.91 86.85 42.25 Favored Pre-proline 0 C--O 1.24 0.602 0 N-CA-C 105.309 -2.108 . . . . 73.88 105.309 172.103 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_endo -92.65 148.2 2.75 Favored 'Trans proline' 0 C--N 1.327 -0.561 0 CA-C-O 122.239 0.85 . . . . 60.21 111.254 -171.287 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 8.9 p -99.13 -25.33 3.98 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 CA-C-N 114.715 -1.13 . . . . 59.81 109.612 177.575 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -78.6 152.29 31.89 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 121.273 0.559 . . . . 49.18 112.136 176.092 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 30.3 p -120.26 8.34 10.86 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 113.482 0.919 . . . . 45.35 113.482 177.375 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 179.79 173.45 44.84 Favored Glycine 0 N--CA 1.451 -0.331 0 N-CA-C 110.098 -1.201 . . . . 40.76 110.098 -179.499 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -168.35 156.81 8.66 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 108.152 -1.055 . . . . 32.81 108.152 177.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 1.4 m -143.17 141.12 31.06 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 109.027 -0.731 . . . . 35.21 109.027 168.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 11.0 tp -103.11 104.08 14.21 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 107.811 -1.181 . . . . 45.67 107.811 179.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 2.0 mt -95.16 127.85 41.53 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 108.133 -1.062 . . . . 36.38 108.133 173.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -122.7 132.32 54.2 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 122.548 0.339 . . . . 55.47 110.887 -171.085 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -136.36 158.5 44.27 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 115.713 -0.676 . . . . 34.35 109.86 -171.131 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -105.2 134.51 48.19 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 108.316 -0.994 . . . . 69.61 108.316 164.279 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 40.7 t -76.98 109.91 12.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 108.278 -1.008 . . . . 41.76 108.278 -178.933 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 2.9 t -101.22 -17.24 6.9 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 C-N-CA 122.551 0.341 . . . . 43.7 111.812 -174.76 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 1.2 tt -152.92 156.26 38.59 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 122.076 0.941 . . . . 62.11 110.132 176.644 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 26.1 t0 . . . . . 0 C--O 1.243 0.715 0 CA-C-N 114.878 -1.056 . . . . 66.13 111.905 -178.946 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' BLA . . . . . 0.675 ' O2D' ' NH1' ' A' ' 22' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 302' ' ' BLA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' BLA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' BLA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 203' ' ' BLA . . . . . 0.667 ' O2D' ' NH1' ' B' ' 22' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 401' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 402' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 403' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 404' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 405' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 406' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 407' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 408' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_endo . . . . . 0 C--O 1.235 0.355 0 CA-C-O 122.427 0.928 . . . . 39.35 112.099 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.9 m -118.71 165.3 14.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 N-CA-C 107.401 -1.333 . . . . 39.73 107.401 178.306 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.0 t -135.0 132.61 53.43 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.534 0 N-CA-C 107.616 -1.253 . . . . 37.29 107.616 176.636 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -112.7 122.76 48.6 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 107.091 -1.448 . . . . 38.12 107.091 175.055 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 10.3 mt -111.11 133.78 55.55 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.459 0 N-CA-C 108.285 -1.005 . . . . 40.41 108.285 176.038 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 -118.43 108.53 15.15 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 108.096 -1.076 . . . . 37.93 108.096 -178.685 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ALA . . . . . 0.416 ' HB1' ' HD2' ' A' ' 50' ' ' ARG . . . -84.88 101.36 12.25 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.309 -0.996 . . . . 37.14 108.309 177.504 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.4 mt -91.48 132.62 35.48 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 N-CA-C 109.405 -0.591 . . . . 39.55 109.405 -177.383 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -99.08 132.37 44.44 Favored 'General case' 0 CA--C 1.521 -0.15 0 N-CA-C 109.732 -0.47 . . . . 45.91 109.732 177.263 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.0 m -135.85 129.17 18.12 Favored Pre-proline 0 C--O 1.239 0.546 0 N-CA-C 107.112 -1.44 . . . . 52.92 107.112 -175.04 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' PRO . . . . . 0.474 ' HD3' HG23 ' A' ' 85' ' ' THR . 53.2 Cg_endo -60.28 162.99 15.65 Favored 'Trans proline' 0 C--N 1.326 -0.627 0 N-CA-C 109.662 -0.938 . . . . 49.5 109.662 177.509 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.78 133.95 51.33 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.106 -0.952 . . . . 57.17 111.157 -174.121 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.65 5.24 90.07 Favored Glycine 0 N--CA 1.444 -0.778 0 CA-C-O 118.687 -1.063 . . . . 54.09 115.453 172.192 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -105.29 -2.38 24.08 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-N 118.493 1.146 . . . . 54.03 112.91 177.664 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.29 -41.38 86.94 Favored Glycine 0 N--CA 1.443 -0.863 0 N-CA-C 115.286 0.874 . . . . 51.18 115.286 170.035 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -56.92 -41.88 70.52 Favored 'Trans proline' 0 C--O 1.241 0.668 0 CA-C-N 119.363 1.581 . . . . 56.54 111.968 170.285 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -60.8 -57.5 12.42 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 120.702 0.287 . . . . 75.45 111.486 176.212 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.6 tp -54.18 -25.64 23.73 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 119.824 -0.75 . . . . 52.89 111.815 174.785 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -77.12 -50.29 13.35 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 118.925 -1.11 . . . . 55.43 111.532 179.031 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.1 mmtm -52.57 -24.33 8.06 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 120.769 -0.372 . . . . 66.58 111.986 173.137 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ARG . . . . . 0.654 ' NH1' ' O2D' ' A' ' 301' ' ' BLA . 5.9 mtt180 -77.64 -31.78 52.92 Favored 'General case' 0 C--N 1.344 0.329 0 N-CA-C 112.552 0.575 . . . . 56.76 112.552 177.809 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -73.15 -24.28 60.56 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 117.63 -1.628 . . . . 68.27 110.247 172.392 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.11 -71.54 0.64 Allowed 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.891 0.377 . . . . 65.19 110.22 -178.269 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . . . -84.45 51.89 2.22 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 123.654 0.782 . . . . 68.29 111.397 -175.183 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . . . -155.89 -78.71 0.09 Allowed 'General case' 0 C--O 1.233 0.234 0 N-CA-C 113.721 1.008 . . . . 73.46 113.721 174.782 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ALA . . . . . 0.655 ' HB3' ' NE2' ' A' ' 75' ' ' HIS . . . -164.78 74.67 0.26 Allowed 'General case' 0 CA--C 1.517 -0.303 0 C-N-CA 118.79 -1.164 . . . . 74.29 113.244 -178.779 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . . . -77.08 35.87 0.17 Allowed 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 112.469 0.544 . . . . 64.8 112.469 177.053 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -112.52 105.82 14.13 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 118.901 0.773 . . . . 73.24 110.646 -161.357 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . . . -166.35 8.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.361 0 N-CA-C 106.307 -1.738 . . . . 71.9 106.307 -178.85 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLU . . . . . 0.755 ' HA ' ' HD2' ' A' ' 36' ' ' PHE . . . -78.07 -10.36 59.58 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 112.579 0.585 . . . . 72.06 112.579 179.202 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -105.45 17.09 24.47 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 117.632 0.196 . . . . 77.65 111.5 170.056 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.1 t -74.11 138.93 75.7 Favored Pre-proline 0 N--CA 1.449 -0.509 0 N-CA-C 109.046 -0.724 . . . . 55.92 109.046 164.807 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -73.43 139.01 28.1 Favored 'Trans proline' 0 C--N 1.329 -0.49 0 CA-C-N 118.525 0.509 . . . . 37.25 111.112 -170.256 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLY . . . . . 0.478 ' HA2' ' HG3' ' A' ' 58' ' ' GLU . . . 74.18 -1.99 46.35 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 115.621 1.008 . . . . 42.14 115.621 -171.302 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 36' ' ' PHE . . . . . 0.755 ' HD2' ' HA ' ' A' ' 31' ' ' GLU . 41.1 t80 -72.58 137.17 46.02 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-N 118.888 1.344 . . . . 59.94 110.01 178.643 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' LEU . . . . . 0.436 HD23 ' O ' ' A' ' 36' ' ' PHE . 10.4 mt -121.32 27.25 8.44 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.261 -0.427 . . . . 53.65 110.744 -179.904 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' GLY . . . . . 0.429 ' HA2' ' CE2' ' A' ' 36' ' ' PHE . . . 78.56 153.14 6.68 Favored Glycine 0 C--N 1.339 0.728 0 N-CA-C 116.962 1.545 . . . . 50.4 116.962 177.302 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -123.14 158.74 30.07 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-O 121.533 0.682 . . . . 49.68 111.494 -177.318 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -112.64 141.51 46.33 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 115.402 -0.817 . . . . 51.7 109.861 163.392 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.5 tp -104.27 118.46 36.69 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.35 -1.352 . . . . 45.5 107.35 168.984 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 73.5 mt -109.39 121.41 45.13 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 108.91 -0.774 . . . . 38.71 108.91 -173.749 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.3 ttp85 -84.81 126.57 67.98 Favored Pre-proline 0 C--N 1.349 0.581 0 C-N-CA 123.455 0.702 . . . . 56.63 110.04 172.828 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -78.01 145.32 22.09 Favored 'Trans proline' 0 C--N 1.326 -0.612 0 CA-C-O 121.702 0.626 . . . . 39.1 111.617 -175.67 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.4 m -123.23 -44.1 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-N 114.801 -1.09 . . . . 52.28 111.997 176.442 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -149.02 162.05 40.69 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 108.314 -0.995 . . . . 60.81 108.314 176.837 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.85 -10.76 1.07 Allowed Glycine 0 N--CA 1.445 -0.731 0 CA-C-N 114.373 -1.285 . . . . 50.59 113.966 -166.131 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -153.91 154.19 33.41 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 118.705 1.253 . . . . 50.5 111.999 -164.981 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -125.59 -5.26 7.06 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 114.731 -1.122 . . . . 75.49 113.025 173.508 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ARG . . . . . 0.416 ' HD2' ' HB1' ' A' ' 8' ' ' ALA . 58.7 mtm180 -96.5 139.22 32.92 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 124.066 0.946 . . . . 37.0 110.945 -178.788 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -68.31 137.03 54.34 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 109.326 -0.62 . . . . 38.24 109.326 168.079 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -105.73 134.24 49.17 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.083 -1.08 . . . . 35.62 108.083 173.621 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.7 t -107.36 110.66 32.64 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.637 0 N-CA-C 106.254 -1.758 . . . . 38.58 106.254 167.921 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.6 t -104.1 119.82 53.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 107.881 -1.155 . . . . 41.27 107.881 178.628 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' THR . . . . . 0.84 HG21 ' HAB' ' A' ' 301' ' ' BLA . 8.7 p -125.4 134.4 52.15 Favored 'General case' 0 CA--C 1.52 -0.191 0 C-N-CA 123.912 0.885 . . . . 40.89 108.899 -177.33 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -105.6 153.9 21.15 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 109.337 -0.616 . . . . 47.53 109.337 172.999 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' TRP . . . . . 0.412 ' NE1' ' OG1' ' A' ' 55' ' ' THR . 14.0 m95 -150.71 152.5 34.0 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 108.8 -0.815 . . . . 36.54 108.8 -177.94 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' GLU . . . . . 0.478 ' HG3' ' HA2' ' A' ' 35' ' ' GLY . 2.5 mt-10 -65.45 -30.84 71.67 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 115.659 -0.7 . . . . 54.86 111.487 -179.086 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.5 p -158.58 172.65 17.91 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 106.957 -1.497 . . . . 41.93 106.957 -173.083 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -75.28 -33.66 61.26 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 117.802 -1.559 . . . . 42.92 111.353 174.432 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -57.62 -36.19 71.48 Favored 'General case' 0 C--O 1.238 0.494 0 O-C-N 123.086 0.242 . . . . 53.49 110.927 174.525 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.2 -47.72 80.57 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 120.154 -0.618 . . . . 38.16 110.872 169.716 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -60.81 -47.38 86.63 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 119.341 -0.944 . . . . 38.55 111.5 178.749 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -65.25 -26.75 68.24 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 119.401 -0.92 . . . . 50.71 112.135 -176.57 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.32 -40.3 81.69 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 117.859 -1.536 . . . . 48.68 110.18 174.195 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 33.0 t-105 -68.52 -62.63 1.31 Allowed 'General case' 0 C--O 1.239 0.538 0 C-N-CA 119.572 -0.851 . . . . 56.42 110.336 178.184 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -54.17 -54.62 37.26 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 112.046 0.387 . . . . 58.96 112.046 -174.577 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -82.74 0.61 42.75 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 113.27 0.841 . . . . 57.63 113.27 -176.619 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' GLY . . . . . 0.428 ' HA3' ' HD3' ' A' ' 70' ' ' PRO . . . -108.15 -104.28 2.91 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 119.934 -1.127 . . . . 48.9 112.525 174.382 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 70' ' ' PRO . . . . . 0.428 ' HD3' ' HA3' ' A' ' 69' ' ' GLY . 53.5 Cg_exo -72.84 -6.53 19.19 Favored 'Trans proline' 0 C--O 1.244 0.784 0 C-N-CA 121.534 1.489 . . . . 54.67 115.877 -176.608 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -81.46 -36.17 29.68 Favored 'General case' 0 CA--C 1.514 -0.415 0 C-N-CA 117.573 -1.651 . . . . 58.92 111.117 -174.223 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ILE . . . . . 0.544 ' HA ' HBB2 ' B' ' 201' ' ' BLA . 5.8 mt -54.04 -29.01 18.2 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 C-N-CA 119.7 -0.8 . . . . 65.46 112.144 179.647 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -110.49 3.43 19.56 Favored 'General case' 0 C--O 1.244 0.791 0 N-CA-C 113.635 0.976 . . . . 64.67 113.635 -175.161 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.46 150.21 27.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.574 0.702 . . . . 60.57 111.066 -174.515 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' HIS . . . . . 0.655 ' NE2' ' HB3' ' A' ' 27' ' ' ALA . 53.1 m80 52.92 45.58 28.51 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.516 -0.765 . . . . 58.42 112.618 172.232 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.05 -48.42 73.47 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 120.012 -0.675 . . . . 59.51 111.359 -175.097 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -64.18 -43.11 97.59 Favored Glycine 0 C--N 1.338 0.648 0 C-N-CA 119.922 -1.132 . . . . 64.69 112.944 -175.623 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -62.91 -36.65 84.09 Favored 'General case' 0 C--O 1.235 0.297 0 O-C-N 122.292 -0.534 . . . . 59.23 111.189 178.611 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ARG . . . . . 0.458 HH22 ' CBB' ' B' ' 201' ' ' BLA . 58.3 mtp180 -76.95 -21.05 55.36 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 113.181 0.808 . . . . 60.54 113.181 173.811 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.3 -34.21 63.43 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 119.08 -1.048 . . . . 64.32 110.894 172.64 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -120.03 86.49 37.07 Favored Pre-proline 0 C--O 1.239 0.516 0 N-CA-C 105.374 -2.084 . . . . 71.36 105.374 172.545 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo -93.03 148.2 2.52 Favored 'Trans proline' 0 C--N 1.327 -0.568 0 CA-C-O 122.393 0.914 . . . . 62.31 111.445 -172.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 p -97.51 -24.34 4.41 Favored 'Isoleucine or valine' 0 C--O 1.243 0.711 0 CA-C-N 114.477 -1.238 . . . . 59.13 110.749 176.326 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -78.44 153.86 31.1 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.604 0.762 . . . . 48.89 111.32 174.783 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' THR . . . . . 0.474 HG23 ' HD3' ' A' ' 12' ' ' PRO . 22.4 p -122.0 7.06 9.78 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 113.583 0.957 . . . . 44.46 113.583 176.778 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -178.56 172.62 45.0 Favored Glycine 0 C--N 1.332 0.33 0 N-CA-C 110.448 -1.061 . . . . 43.78 110.448 -178.45 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' A' ' 8' ' ' ALA . . . -169.19 156.44 7.06 Favored 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 108.72 -0.845 . . . . 34.45 108.72 178.255 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.3 m -142.9 139.78 30.92 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 108.484 -0.932 . . . . 39.52 108.484 169.069 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.8 tp -102.08 105.65 16.41 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 107.264 -1.384 . . . . 44.3 107.264 179.282 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.7 mt -94.89 127.09 40.66 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 107.36 -1.348 . . . . 34.77 107.36 173.333 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -121.7 132.37 54.6 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 123.178 0.591 . . . . 49.83 110.546 -171.295 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -136.76 159.3 42.25 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 115.778 -0.647 . . . . 35.11 110.415 -170.536 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -105.9 136.31 45.77 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 108.933 -0.765 . . . . 67.88 108.933 163.713 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 44.8 t -78.37 111.4 15.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 C-N-CA 123.315 0.646 . . . . 44.53 109.354 -179.517 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.6 t -103.91 -17.34 7.28 Favored 'Isoleucine or valine' 0 C--O 1.241 0.649 0 N-CA-C 113.256 0.835 . . . . 43.66 113.256 -174.304 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' LEU . . . . . 0.47 HD23 ' N ' ' A' ' 97' ' ' ASP . 1.7 tt -155.19 162.7 40.88 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 118.848 0.749 . . . . 48.93 110.094 179.915 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 97' ' ' ASP . . . . . 0.47 ' N ' HD23 ' A' ' 96' ' ' LEU . 18.5 t0 . . . . . 0 N--CA 1.472 0.666 0 N-CA-C 115.458 1.651 . . . . 62.35 115.458 -178.435 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_endo . . . . . 0 CA--C 1.539 0.726 0 CA-C-O 122.54 0.975 . . . . 37.96 111.972 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 3.8 m -117.76 166.15 12.39 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.653 0 N-CA-C 107.396 -1.335 . . . . 38.29 107.396 178.574 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 11.2 t -135.09 131.0 52.29 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.665 0 N-CA-C 107.079 -1.452 . . . . 39.48 107.079 177.828 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -112.33 125.65 54.41 Favored 'General case' 0 CA--C 1.507 -0.702 0 N-CA-C 106.604 -1.628 . . . . 36.26 106.604 173.066 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 7.9 mt -111.21 134.31 53.95 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.475 0 N-CA-C 107.882 -1.155 . . . . 40.77 107.882 175.271 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -118.64 107.96 14.35 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 107.634 -1.247 . . . . 37.31 107.634 -179.792 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' ALA . . . . . 0.421 ' HB1' ' HD2' ' B' ' 50' ' ' ARG . . . -83.76 100.49 10.95 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.724 -1.213 . . . . 36.77 107.724 177.232 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 12.9 mt -89.51 132.03 35.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 108.464 -0.939 . . . . 41.0 108.464 -177.967 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -97.66 131.68 44.0 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 108.885 -0.783 . . . . 44.83 108.885 177.462 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 p -137.0 129.15 17.0 Favored Pre-proline 0 C--O 1.242 0.663 0 N-CA-C 107.328 -1.36 . . . . 55.98 107.328 -174.551 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' PRO . . . . . 0.533 ' HD3' HG23 ' B' ' 85' ' ' THR . 50.6 Cg_endo -61.02 163.86 15.59 Favored 'Trans proline' 0 C--N 1.331 -0.376 0 CA-C-O 122.039 0.766 . . . . 51.99 110.752 178.677 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.98 132.74 53.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.01 -0.995 . . . . 55.89 111.936 -173.787 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.69 4.56 90.32 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 115.613 1.005 . . . . 59.96 115.613 172.152 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' ALA . . . . . 0.405 ' HB1' ' CG2' ' B' ' 83' ' ' VAL . . . -105.28 -0.66 26.11 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 118.351 1.075 . . . . 53.06 112.781 178.0 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.64 -41.35 81.91 Favored Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 114.646 0.619 . . . . 52.57 114.646 170.231 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' PRO . . . . . 0.513 ' O ' ' HG2' ' B' ' 21' ' ' LYS . 81.2 Cg_exo -57.43 -42.6 59.91 Favored 'Trans proline' 0 C--O 1.24 0.579 0 CA-C-N 119.207 1.503 . . . . 57.14 113.081 169.345 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -60.7 -57.38 12.96 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.153 -0.619 . . . . 77.16 110.441 175.937 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 16.2 tp -54.38 -25.03 22.15 Favored 'General case' 0 C--N 1.343 0.286 0 C-N-CA 120.211 -0.596 . . . . 53.1 111.966 173.704 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -76.78 -49.3 16.24 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 118.852 -1.139 . . . . 57.62 111.625 178.035 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' LYS . . . . . 0.513 ' HG2' ' O ' ' B' ' 17' ' ' PRO . 15.0 mmtm -51.78 -27.97 13.94 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 120.336 -0.546 . . . . 73.46 112.394 173.167 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 22' ' ' ARG . . . . . 0.638 ' NH1' ' O2D' ' B' ' 203' ' ' BLA . 24.9 mtt180 -77.2 -32.96 56.33 Favored 'General case' 0 CA--C 1.518 -0.275 0 C-N-CA 119.667 -0.813 . . . . 57.57 112.171 -178.96 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -75.93 -25.86 56.37 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 117.772 -1.571 . . . . 70.96 111.116 173.91 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.75 -74.85 0.52 Allowed 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 109.684 -0.487 . . . . 69.64 109.684 -178.103 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . . . -86.1 43.4 1.05 Allowed 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 116.495 -0.32 . . . . 62.7 111.443 -176.634 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . . . -166.01 66.28 0.11 Allowed 'General case' 0 C--O 1.241 0.606 0 N-CA-C 114.295 1.22 . . . . 68.13 114.295 175.135 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 66.33 69.02 0.43 Allowed 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.276 1.03 . . . . 69.46 113.02 172.755 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . . . -83.92 31.64 0.49 Allowed 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 115.219 -0.9 . . . . 67.46 111.701 173.68 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -117.5 108.71 15.84 Favored 'General case' 0 C--O 1.238 0.471 0 N-CA-C 113.515 0.932 . . . . 77.43 113.515 -157.752 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . . . -163.99 17.64 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.518 -0.282 0 N-CA-C 105.507 -2.034 . . . . 72.38 105.507 179.235 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' GLU . . . . . 0.789 ' HA ' ' HD2' ' B' ' 36' ' ' PHE . . . -77.24 -8.37 57.47 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 112.734 0.642 . . . . 73.05 112.734 -179.123 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -106.05 18.15 22.5 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 122.82 0.448 . . . . 75.59 111.459 170.483 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 7.9 t -73.39 137.81 78.08 Favored Pre-proline 0 N--CA 1.456 -0.158 0 N-CA-C 108.753 -0.832 . . . . 54.53 108.753 164.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -71.46 139.86 35.38 Favored 'Trans proline' 0 C--N 1.33 -0.446 0 CA-C-N 118.534 0.512 . . . . 37.56 112.058 -168.403 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.77 -1.76 36.44 Favored Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 115.688 1.035 . . . . 45.48 115.688 -171.718 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' PHE . . . . . 0.789 ' HD2' ' HA ' ' B' ' 31' ' ' GLU . 30.5 t80 -72.15 138.94 48.02 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 119.07 1.435 . . . . 57.33 109.752 178.583 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 37' ' ' LEU . . . . . 0.432 HD23 ' O ' ' B' ' 36' ' ' PHE . 39.3 mt -123.23 26.08 8.14 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.123 -0.489 . . . . 50.98 110.797 179.531 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.87 152.94 5.91 Favored Glycine 0 C--N 1.338 0.651 0 N-CA-C 117.408 1.723 . . . . 50.6 117.408 177.496 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -123.19 159.86 27.75 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-O 121.867 0.842 . . . . 50.21 111.882 -177.813 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -111.81 141.62 45.21 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.213 -0.903 . . . . 50.91 109.395 162.729 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 22.8 tp -104.09 119.91 39.96 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 107.467 -1.308 . . . . 43.25 107.467 167.801 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 77.4 mt -109.11 122.36 47.12 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.158 -0.682 . . . . 40.99 109.158 -174.428 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 24.2 ttp85 -85.6 126.66 65.83 Favored Pre-proline 0 N--CA 1.448 -0.535 0 N-CA-C 109.513 -0.551 . . . . 57.39 109.513 172.659 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -77.27 146.11 24.75 Favored 'Trans proline' 0 CA--C 1.512 -0.596 0 CA-C-N 118.832 0.619 . . . . 39.59 110.964 -175.767 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 25.6 m -123.87 -43.6 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 CA-C-N 114.855 -1.066 . . . . 59.49 112.039 177.189 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -149.81 162.22 40.71 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 108.13 -1.063 . . . . 59.01 108.13 175.43 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.19 -11.32 1.08 Allowed Glycine 0 C--N 1.337 0.606 0 CA-C-N 114.759 -1.11 . . . . 51.32 114.093 -166.305 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -153.96 154.49 33.89 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 118.297 -1.361 . . . . 49.41 111.378 -166.116 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -126.0 -4.94 6.85 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 114.31 -1.314 . . . . 79.82 112.598 173.294 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' ARG . . . . . 0.421 ' HD2' ' HB1' ' B' ' 8' ' ' ALA . 59.3 mtm180 -96.15 139.98 31.52 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 118.495 0.589 . . . . 38.93 109.984 -178.629 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -68.47 138.04 54.92 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 109.222 -0.658 . . . . 41.66 109.222 167.316 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -105.36 135.67 46.31 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 108.097 -1.075 . . . . 35.89 108.097 173.475 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 10.7 t -108.85 111.52 36.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 105.874 -1.898 . . . . 36.99 105.874 166.302 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 38.8 t -104.58 119.29 53.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 108.103 -1.073 . . . . 39.71 108.103 178.199 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' THR . . . . . 0.512 HG21 ' CAB' ' B' ' 203' ' ' BLA . 6.4 p -124.4 134.11 53.21 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 124.264 1.026 . . . . 41.19 108.699 -177.282 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -106.15 154.25 20.95 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 109.188 -0.671 . . . . 46.28 109.188 171.758 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' TRP . . . . . 0.479 ' NE1' ' OG1' ' B' ' 55' ' ' THR . 12.6 m95 -151.34 153.95 35.76 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 108.352 -0.981 . . . . 37.46 108.352 -177.694 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -65.29 -30.25 71.1 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 120.152 -0.619 . . . . 61.65 111.834 -179.323 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 5.4 p -159.17 172.96 17.12 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 107.248 -1.39 . . . . 41.59 107.248 -173.202 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' ASP . . . . . 0.492 ' O ' ' HG2' ' B' ' 64' ' ' GLN . 34.2 t70 -74.8 -33.03 62.16 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 118.376 -1.33 . . . . 46.11 111.087 175.168 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -58.73 -36.27 74.03 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.846 -0.342 . . . . 55.77 111.409 174.395 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.27 -47.55 81.14 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 119.685 -0.806 . . . . 38.87 110.438 170.684 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -60.56 -45.95 92.01 Favored 'General case' 0 C--O 1.239 0.534 0 C-N-CA 119.935 -0.706 . . . . 38.73 111.366 177.789 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' GLN . . . . . 0.492 ' HG2' ' O ' ' B' ' 60' ' ' ASP . 53.5 mm-40 -64.46 -30.6 71.63 Favored 'General case' 0 C--N 1.342 0.259 0 C-N-CA 119.655 -0.818 . . . . 49.16 111.861 -176.765 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.65 -39.8 81.61 Favored 'General case' 0 CA--C 1.519 -0.229 0 C-N-CA 118.752 -1.179 . . . . 48.59 110.388 175.523 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' TRP . . . . . . . . . . . . . 31.8 t-105 -67.97 -62.75 1.26 Allowed 'General case' 0 C--O 1.24 0.553 0 C-N-CA 119.602 -0.839 . . . . 55.23 109.996 177.596 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' ALA . . . . . 0.406 ' HB1' HMA2 ' B' ' 202' ' ' BLA . . . -54.92 -56.23 21.87 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 111.869 0.322 . . . . 59.32 111.869 -174.703 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -81.71 0.16 40.14 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 113.276 0.843 . . . . 58.34 113.276 -173.989 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -109.2 -103.57 2.83 Favored Glycine 0 N--CA 1.442 -0.95 0 CA-C-O 121.819 0.677 . . . . 52.3 112.557 174.5 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo -72.59 -6.92 19.96 Favored 'Trans proline' 0 C--O 1.242 0.721 0 N-CA-C 115.574 1.336 . . . . 53.3 115.574 -174.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -84.37 -38.34 20.43 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 117.817 -1.553 . . . . 59.69 110.989 -174.014 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . 0.278 3.0 mt -55.54 -22.57 12.46 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 C-N-CA 117.624 -1.63 . . . . 70.8 112.519 176.68 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -110.02 3.45 20.4 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 120.172 1.351 . . . . 64.16 114.375 178.635 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.71 152.75 26.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 119.027 0.83 . . . . 61.96 112.381 -172.869 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 69.9 m80 51.22 43.64 29.15 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.329 -0.851 . . . . 57.56 111.525 171.438 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.08 -47.93 71.2 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-N 116.024 -0.535 . . . . 56.75 111.409 -173.91 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.87 -41.98 99.77 Favored Glycine 0 C--N 1.334 0.447 0 C-N-CA 119.65 -1.262 . . . . 61.15 112.36 -175.935 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -62.99 -38.35 90.79 Favored 'General case' 0 CA--C 1.518 -0.255 0 O-C-N 122.44 -0.447 . . . . 57.02 111.544 179.804 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' ARG . . . . . 0.582 ' NH2' HBB1 ' B' ' 201' ' ' BLA . 47.0 mtp180 -76.11 -20.84 57.3 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 113.013 0.746 . . . . 57.75 113.013 174.047 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.67 -33.07 62.4 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 118.938 -1.105 . . . . 62.19 111.05 173.311 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 81' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -120.91 86.85 42.25 Favored Pre-proline 0 C--O 1.24 0.602 0 N-CA-C 105.309 -2.108 . . . . 73.88 105.309 172.103 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_endo -92.65 148.2 2.75 Favored 'Trans proline' 0 C--N 1.327 -0.561 0 CA-C-O 122.239 0.85 . . . . 60.21 111.254 -171.287 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 83' ' ' VAL . . . . . 0.405 ' CG2' ' HB1' ' B' ' 15' ' ' ALA . 8.9 p -99.13 -25.33 3.98 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 CA-C-N 114.715 -1.13 . . . . 59.81 109.612 177.575 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -78.6 152.29 31.89 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 121.273 0.559 . . . . 49.18 112.136 176.092 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 85' ' ' THR . . . . . 0.533 HG23 ' HD3' ' B' ' 12' ' ' PRO . 30.3 p -120.26 8.34 10.86 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 113.482 0.919 . . . . 45.35 113.482 177.375 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 179.79 173.45 44.84 Favored Glycine 0 N--CA 1.451 -0.331 0 N-CA-C 110.098 -1.201 . . . . 40.76 110.098 -179.499 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -168.35 156.81 8.66 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 108.152 -1.055 . . . . 32.81 108.152 177.968 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 1.4 m -143.17 141.12 31.06 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 109.027 -0.731 . . . . 35.21 109.027 168.593 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 11.0 tp -103.11 104.08 14.21 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 107.811 -1.181 . . . . 45.67 107.811 179.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 2.0 mt -95.16 127.85 41.53 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 108.133 -1.062 . . . . 36.38 108.133 173.64 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -122.7 132.32 54.2 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 122.548 0.339 . . . . 55.47 110.887 -171.085 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -136.36 158.5 44.27 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 115.713 -0.676 . . . . 34.35 109.86 -171.131 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -105.2 134.51 48.19 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 108.316 -0.994 . . . . 69.61 108.316 164.279 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 40.7 t -76.98 109.91 12.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 108.278 -1.008 . . . . 41.76 108.278 -178.933 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 2.9 t -101.22 -17.24 6.9 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 C-N-CA 122.551 0.341 . . . . 43.7 111.812 -174.76 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 1.2 tt -152.92 156.26 38.59 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 122.076 0.941 . . . . 62.11 110.132 176.644 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 26.1 t0 . . . . . 0 C--O 1.243 0.715 0 CA-C-N 114.878 -1.056 . . . . 66.13 111.905 -178.946 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 301' ' ' BLA . . . . . 0.84 ' HAB' HG21 ' A' ' 55' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 302' ' ' BLA . . . . . 0.771 HBB2 ' O2A' ' A' ' 301' ' ' BLA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 201' ' ' BLA . . . . . 0.582 HBB1 ' NH2' ' B' ' 79' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 202' ' ' BLA . . . . . 0.739 HBB2 ' O2A' ' B' ' 203' ' ' BLA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 203' ' ' BLA . . . . . 0.739 ' O2A' HBB2 ' B' ' 202' ' ' BLA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 401' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 402' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 403' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 404' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 405' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 406' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 407' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 408' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_endo . . . . . 0 C--O 1.235 0.355 0 CA-C-O 122.427 0.928 . . . . 39.35 112.099 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.9 m -118.71 165.3 14.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 N-CA-C 107.401 -1.333 . . . . 39.73 107.401 178.306 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.0 t -135.0 132.61 53.43 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.534 0 N-CA-C 107.616 -1.253 . . . . 37.29 107.616 176.636 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -112.7 122.76 48.6 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 107.091 -1.448 . . . . 38.12 107.091 175.055 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 10.3 mt -111.11 133.78 55.55 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.459 0 N-CA-C 108.285 -1.005 . . . . 40.41 108.285 176.038 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 -118.43 108.53 15.15 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 108.096 -1.076 . . . . 37.93 108.096 -178.685 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.416 ' HB1' ' HD2' ' A' ' 50' ' ' ARG . . . -84.88 101.36 12.25 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.309 -0.996 . . . . 37.14 108.309 177.504 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.4 mt -91.48 132.62 35.48 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 N-CA-C 109.405 -0.591 . . . . 39.55 109.405 -177.383 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -99.08 132.37 44.44 Favored 'General case' 0 CA--C 1.521 -0.15 0 N-CA-C 109.732 -0.47 . . . . 45.91 109.732 177.263 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.0 m -135.85 129.17 18.12 Favored Pre-proline 0 C--O 1.239 0.546 0 N-CA-C 107.112 -1.44 . . . . 52.92 107.112 -175.04 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.474 ' HD3' HG23 ' A' ' 85' ' ' THR . 53.2 Cg_endo -60.28 162.99 15.65 Favored 'Trans proline' 0 C--N 1.326 -0.627 0 N-CA-C 109.662 -0.938 . . . . 49.5 109.662 177.509 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.78 133.95 51.33 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.106 -0.952 . . . . 57.17 111.157 -174.121 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.65 5.24 90.07 Favored Glycine 0 N--CA 1.444 -0.778 0 CA-C-O 118.687 -1.063 . . . . 54.09 115.453 172.192 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -105.29 -2.38 24.08 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-N 118.493 1.146 . . . . 54.03 112.91 177.664 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.29 -41.38 86.94 Favored Glycine 0 N--CA 1.443 -0.863 0 N-CA-C 115.286 0.874 . . . . 51.18 115.286 170.035 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -56.92 -41.88 70.52 Favored 'Trans proline' 0 C--O 1.241 0.668 0 CA-C-N 119.363 1.581 . . . . 56.54 111.968 170.285 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -60.8 -57.5 12.42 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 120.702 0.287 . . . . 75.45 111.486 176.212 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.6 tp -54.18 -25.64 23.73 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 119.824 -0.75 . . . . 52.89 111.815 174.785 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -77.12 -50.29 13.35 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 118.925 -1.11 . . . . 55.43 111.532 179.031 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.1 mmtm -52.57 -24.33 8.06 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 120.769 -0.372 . . . . 66.58 111.986 173.137 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.654 ' NH1' ' O2D' ' A' ' 301' ' ' BLA . 5.9 mtt180 -77.64 -31.78 52.92 Favored 'General case' 0 C--N 1.344 0.329 0 N-CA-C 112.552 0.575 . . . . 56.76 112.552 177.809 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -73.15 -24.28 60.56 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 117.63 -1.628 . . . . 68.27 110.247 172.392 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.11 -71.54 0.64 Allowed 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.891 0.377 . . . . 65.19 110.22 -178.269 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . . . -84.45 51.89 2.22 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 123.654 0.782 . . . . 68.29 111.397 -175.183 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . . . -155.89 -78.71 0.09 Allowed 'General case' 0 C--O 1.233 0.234 0 N-CA-C 113.721 1.008 . . . . 73.46 113.721 174.782 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.655 ' HB3' ' NE2' ' A' ' 75' ' ' HIS . . . -164.78 74.67 0.26 Allowed 'General case' 0 CA--C 1.517 -0.303 0 C-N-CA 118.79 -1.164 . . . . 74.29 113.244 -178.779 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . . . -77.08 35.87 0.17 Allowed 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 112.469 0.544 . . . . 64.8 112.469 177.053 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -112.52 105.82 14.13 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 118.901 0.773 . . . . 73.24 110.646 -161.357 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . . . -166.35 8.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.361 0 N-CA-C 106.307 -1.738 . . . . 71.9 106.307 -178.85 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.755 ' HA ' ' HD2' ' A' ' 36' ' ' PHE . . . -78.07 -10.36 59.58 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 112.579 0.585 . . . . 72.06 112.579 179.202 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -105.45 17.09 24.47 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 117.632 0.196 . . . . 77.65 111.5 170.056 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.1 t -74.11 138.93 75.7 Favored Pre-proline 0 N--CA 1.449 -0.509 0 N-CA-C 109.046 -0.724 . . . . 55.92 109.046 164.807 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -73.43 139.01 28.1 Favored 'Trans proline' 0 C--N 1.329 -0.49 0 CA-C-N 118.525 0.509 . . . . 37.25 111.112 -170.256 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.478 ' HA2' ' HG3' ' A' ' 58' ' ' GLU . . . 74.18 -1.99 46.35 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 115.621 1.008 . . . . 42.14 115.621 -171.302 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.755 ' HD2' ' HA ' ' A' ' 31' ' ' GLU . 41.1 t80 -72.58 137.17 46.02 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-N 118.888 1.344 . . . . 59.94 110.01 178.643 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.436 HD23 ' O ' ' A' ' 36' ' ' PHE . 10.4 mt -121.32 27.25 8.44 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.261 -0.427 . . . . 53.65 110.744 -179.904 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.429 ' HA2' ' CE2' ' A' ' 36' ' ' PHE . . . 78.56 153.14 6.68 Favored Glycine 0 C--N 1.339 0.728 0 N-CA-C 116.962 1.545 . . . . 50.4 116.962 177.302 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -123.14 158.74 30.07 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-O 121.533 0.682 . . . . 49.68 111.494 -177.318 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -112.64 141.51 46.33 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 115.402 -0.817 . . . . 51.7 109.861 163.392 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.5 tp -104.27 118.46 36.69 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.35 -1.352 . . . . 45.5 107.35 168.984 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 73.5 mt -109.39 121.41 45.13 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 108.91 -0.774 . . . . 38.71 108.91 -173.749 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.3 ttp85 -84.81 126.57 67.98 Favored Pre-proline 0 C--N 1.349 0.581 0 C-N-CA 123.455 0.702 . . . . 56.63 110.04 172.828 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -78.01 145.32 22.09 Favored 'Trans proline' 0 C--N 1.326 -0.612 0 CA-C-O 121.702 0.626 . . . . 39.1 111.617 -175.67 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.4 m -123.23 -44.1 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-N 114.801 -1.09 . . . . 52.28 111.997 176.442 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -149.02 162.05 40.69 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 108.314 -0.995 . . . . 60.81 108.314 176.837 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.85 -10.76 1.07 Allowed Glycine 0 N--CA 1.445 -0.731 0 CA-C-N 114.373 -1.285 . . . . 50.59 113.966 -166.131 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -153.91 154.19 33.41 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 118.705 1.253 . . . . 50.5 111.999 -164.981 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -125.59 -5.26 7.06 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 114.731 -1.122 . . . . 75.49 113.025 173.508 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.416 ' HD2' ' HB1' ' A' ' 8' ' ' ALA . 58.7 mtm180 -96.5 139.22 32.92 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 124.066 0.946 . . . . 37.0 110.945 -178.788 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -68.31 137.03 54.34 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 109.326 -0.62 . . . . 38.24 109.326 168.079 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -105.73 134.24 49.17 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.083 -1.08 . . . . 35.62 108.083 173.621 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.7 t -107.36 110.66 32.64 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.637 0 N-CA-C 106.254 -1.758 . . . . 38.58 106.254 167.921 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.6 t -104.1 119.82 53.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 107.881 -1.155 . . . . 41.27 107.881 178.628 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' THR . . . . . 0.84 HG21 ' HAB' ' A' ' 301' ' ' BLA . 8.7 p -125.4 134.4 52.15 Favored 'General case' 0 CA--C 1.52 -0.191 0 C-N-CA 123.912 0.885 . . . . 40.89 108.899 -177.33 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -105.6 153.9 21.15 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 109.337 -0.616 . . . . 47.53 109.337 172.999 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.412 ' NE1' ' OG1' ' A' ' 55' ' ' THR . 14.0 m95 -150.71 152.5 34.0 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 108.8 -0.815 . . . . 36.54 108.8 -177.94 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.478 ' HG3' ' HA2' ' A' ' 35' ' ' GLY . 2.5 mt-10 -65.45 -30.84 71.67 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 115.659 -0.7 . . . . 54.86 111.487 -179.086 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.5 p -158.58 172.65 17.91 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 106.957 -1.497 . . . . 41.93 106.957 -173.083 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -75.28 -33.66 61.26 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 117.802 -1.559 . . . . 42.92 111.353 174.432 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -57.62 -36.19 71.48 Favored 'General case' 0 C--O 1.238 0.494 0 O-C-N 123.086 0.242 . . . . 53.49 110.927 174.525 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.2 -47.72 80.57 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 120.154 -0.618 . . . . 38.16 110.872 169.716 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -60.81 -47.38 86.63 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 119.341 -0.944 . . . . 38.55 111.5 178.749 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -65.25 -26.75 68.24 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 119.401 -0.92 . . . . 50.71 112.135 -176.57 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.32 -40.3 81.69 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 117.859 -1.536 . . . . 48.68 110.18 174.195 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 33.0 t-105 -68.52 -62.63 1.31 Allowed 'General case' 0 C--O 1.239 0.538 0 C-N-CA 119.572 -0.851 . . . . 56.42 110.336 178.184 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -54.17 -54.62 37.26 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 112.046 0.387 . . . . 58.96 112.046 -174.577 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -82.74 0.61 42.75 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 113.27 0.841 . . . . 57.63 113.27 -176.619 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.428 ' HA3' ' HD3' ' A' ' 70' ' ' PRO . . . -108.15 -104.28 2.91 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 119.934 -1.127 . . . . 48.9 112.525 174.382 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.428 ' HD3' ' HA3' ' A' ' 69' ' ' GLY . 53.5 Cg_exo -72.84 -6.53 19.19 Favored 'Trans proline' 0 C--O 1.244 0.784 0 C-N-CA 121.534 1.489 . . . . 54.67 115.877 -176.608 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -81.46 -36.17 29.68 Favored 'General case' 0 CA--C 1.514 -0.415 0 C-N-CA 117.573 -1.651 . . . . 58.92 111.117 -174.223 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.544 ' HA ' HBB2 ' B' ' 201' ' ' BLA . 5.8 mt -54.04 -29.01 18.2 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 C-N-CA 119.7 -0.8 . . . . 65.46 112.144 179.647 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -110.49 3.43 19.56 Favored 'General case' 0 C--O 1.244 0.791 0 N-CA-C 113.635 0.976 . . . . 64.67 113.635 -175.161 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.46 150.21 27.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.574 0.702 . . . . 60.57 111.066 -174.515 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.655 ' NE2' ' HB3' ' A' ' 27' ' ' ALA . 53.1 m80 52.92 45.58 28.51 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.516 -0.765 . . . . 58.42 112.618 172.232 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.05 -48.42 73.47 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 120.012 -0.675 . . . . 59.51 111.359 -175.097 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -64.18 -43.11 97.59 Favored Glycine 0 C--N 1.338 0.648 0 C-N-CA 119.922 -1.132 . . . . 64.69 112.944 -175.623 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -62.91 -36.65 84.09 Favored 'General case' 0 C--O 1.235 0.297 0 O-C-N 122.292 -0.534 . . . . 59.23 111.189 178.611 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.458 HH22 ' CBB' ' B' ' 201' ' ' BLA . 58.3 mtp180 -76.95 -21.05 55.36 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 113.181 0.808 . . . . 60.54 113.181 173.811 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.3 -34.21 63.43 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 119.08 -1.048 . . . . 64.32 110.894 172.64 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -120.03 86.49 37.07 Favored Pre-proline 0 C--O 1.239 0.516 0 N-CA-C 105.374 -2.084 . . . . 71.36 105.374 172.545 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo -93.03 148.2 2.52 Favored 'Trans proline' 0 C--N 1.327 -0.568 0 CA-C-O 122.393 0.914 . . . . 62.31 111.445 -172.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 p -97.51 -24.34 4.41 Favored 'Isoleucine or valine' 0 C--O 1.243 0.711 0 CA-C-N 114.477 -1.238 . . . . 59.13 110.749 176.326 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -78.44 153.86 31.1 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.604 0.762 . . . . 48.89 111.32 174.783 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' THR . . . . . 0.474 HG23 ' HD3' ' A' ' 12' ' ' PRO . 22.4 p -122.0 7.06 9.78 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 113.583 0.957 . . . . 44.46 113.583 176.778 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -178.56 172.62 45.0 Favored Glycine 0 C--N 1.332 0.33 0 N-CA-C 110.448 -1.061 . . . . 43.78 110.448 -178.45 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' A' ' 8' ' ' ALA . . . -169.19 156.44 7.06 Favored 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 108.72 -0.845 . . . . 34.45 108.72 178.255 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.3 m -142.9 139.78 30.92 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 108.484 -0.932 . . . . 39.52 108.484 169.069 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.8 tp -102.08 105.65 16.41 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 107.264 -1.384 . . . . 44.3 107.264 179.282 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.7 mt -94.89 127.09 40.66 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 107.36 -1.348 . . . . 34.77 107.36 173.333 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -121.7 132.37 54.6 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 123.178 0.591 . . . . 49.83 110.546 -171.295 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -136.76 159.3 42.25 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 115.778 -0.647 . . . . 35.11 110.415 -170.536 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -105.9 136.31 45.77 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 108.933 -0.765 . . . . 67.88 108.933 163.713 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 44.8 t -78.37 111.4 15.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 C-N-CA 123.315 0.646 . . . . 44.53 109.354 -179.517 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.6 t -103.91 -17.34 7.28 Favored 'Isoleucine or valine' 0 C--O 1.241 0.649 0 N-CA-C 113.256 0.835 . . . . 43.66 113.256 -174.304 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.47 HD23 ' N ' ' A' ' 97' ' ' ASP . 1.7 tt -155.19 162.7 40.88 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 118.848 0.749 . . . . 48.93 110.094 179.915 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.47 ' N ' HD23 ' A' ' 96' ' ' LEU . 18.5 t0 . . . . . 0 N--CA 1.472 0.666 0 N-CA-C 115.458 1.651 . . . . 62.35 115.458 -178.435 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_endo . . . . . 0 CA--C 1.539 0.726 0 CA-C-O 122.54 0.975 . . . . 37.96 111.972 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 3.8 m -117.76 166.15 12.39 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.653 0 N-CA-C 107.396 -1.335 . . . . 38.29 107.396 178.574 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 11.2 t -135.09 131.0 52.29 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.665 0 N-CA-C 107.079 -1.452 . . . . 39.48 107.079 177.828 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -112.33 125.65 54.41 Favored 'General case' 0 CA--C 1.507 -0.702 0 N-CA-C 106.604 -1.628 . . . . 36.26 106.604 173.066 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 7.9 mt -111.21 134.31 53.95 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.475 0 N-CA-C 107.882 -1.155 . . . . 40.77 107.882 175.271 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -118.64 107.96 14.35 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 107.634 -1.247 . . . . 37.31 107.634 -179.792 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.421 ' HB1' ' HD2' ' B' ' 50' ' ' ARG . . . -83.76 100.49 10.95 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.724 -1.213 . . . . 36.77 107.724 177.232 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 12.9 mt -89.51 132.03 35.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 108.464 -0.939 . . . . 41.0 108.464 -177.967 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -97.66 131.68 44.0 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 108.885 -0.783 . . . . 44.83 108.885 177.462 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 p -137.0 129.15 17.0 Favored Pre-proline 0 C--O 1.242 0.663 0 N-CA-C 107.328 -1.36 . . . . 55.98 107.328 -174.551 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' PRO . . . . . 0.533 ' HD3' HG23 ' B' ' 85' ' ' THR . 50.6 Cg_endo -61.02 163.86 15.59 Favored 'Trans proline' 0 C--N 1.331 -0.376 0 CA-C-O 122.039 0.766 . . . . 51.99 110.752 178.677 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.98 132.74 53.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.01 -0.995 . . . . 55.89 111.936 -173.787 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.69 4.56 90.32 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 115.613 1.005 . . . . 59.96 115.613 172.152 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.405 ' HB1' ' CG2' ' B' ' 83' ' ' VAL . . . -105.28 -0.66 26.11 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 118.351 1.075 . . . . 53.06 112.781 178.0 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.64 -41.35 81.91 Favored Glycine 0 N--CA 1.445 -0.749 0 N-CA-C 114.646 0.619 . . . . 52.57 114.646 170.231 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' PRO . . . . . 0.513 ' O ' ' HG2' ' B' ' 21' ' ' LYS . 81.2 Cg_exo -57.43 -42.6 59.91 Favored 'Trans proline' 0 C--O 1.24 0.579 0 CA-C-N 119.207 1.503 . . . . 57.14 113.081 169.345 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -60.7 -57.38 12.96 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.153 -0.619 . . . . 77.16 110.441 175.937 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 16.2 tp -54.38 -25.03 22.15 Favored 'General case' 0 C--N 1.343 0.286 0 C-N-CA 120.211 -0.596 . . . . 53.1 111.966 173.704 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -76.78 -49.3 16.24 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 118.852 -1.139 . . . . 57.62 111.625 178.035 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.513 ' HG2' ' O ' ' B' ' 17' ' ' PRO . 15.0 mmtm -51.78 -27.97 13.94 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 120.336 -0.546 . . . . 73.46 112.394 173.167 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.638 ' NH1' ' O2D' ' B' ' 203' ' ' BLA . 24.9 mtt180 -77.2 -32.96 56.33 Favored 'General case' 0 CA--C 1.518 -0.275 0 C-N-CA 119.667 -0.813 . . . . 57.57 112.171 -178.96 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -75.93 -25.86 56.37 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 117.772 -1.571 . . . . 70.96 111.116 173.91 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.75 -74.85 0.52 Allowed 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 109.684 -0.487 . . . . 69.64 109.684 -178.103 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . . . -86.1 43.4 1.05 Allowed 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 116.495 -0.32 . . . . 62.7 111.443 -176.634 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . . . -166.01 66.28 0.11 Allowed 'General case' 0 C--O 1.241 0.606 0 N-CA-C 114.295 1.22 . . . . 68.13 114.295 175.135 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 66.33 69.02 0.43 Allowed 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.276 1.03 . . . . 69.46 113.02 172.755 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . . . -83.92 31.64 0.49 Allowed 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 115.219 -0.9 . . . . 67.46 111.701 173.68 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -117.5 108.71 15.84 Favored 'General case' 0 C--O 1.238 0.471 0 N-CA-C 113.515 0.932 . . . . 77.43 113.515 -157.752 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . . . -163.99 17.64 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.518 -0.282 0 N-CA-C 105.507 -2.034 . . . . 72.38 105.507 179.235 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.789 ' HA ' ' HD2' ' B' ' 36' ' ' PHE . . . -77.24 -8.37 57.47 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 112.734 0.642 . . . . 73.05 112.734 -179.123 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -106.05 18.15 22.5 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 122.82 0.448 . . . . 75.59 111.459 170.483 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 7.9 t -73.39 137.81 78.08 Favored Pre-proline 0 N--CA 1.456 -0.158 0 N-CA-C 108.753 -0.832 . . . . 54.53 108.753 164.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -71.46 139.86 35.38 Favored 'Trans proline' 0 C--N 1.33 -0.446 0 CA-C-N 118.534 0.512 . . . . 37.56 112.058 -168.403 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.77 -1.76 36.44 Favored Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 115.688 1.035 . . . . 45.48 115.688 -171.718 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' PHE . . . . . 0.789 ' HD2' ' HA ' ' B' ' 31' ' ' GLU . 30.5 t80 -72.15 138.94 48.02 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 119.07 1.435 . . . . 57.33 109.752 178.583 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.432 HD23 ' O ' ' B' ' 36' ' ' PHE . 39.3 mt -123.23 26.08 8.14 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.123 -0.489 . . . . 50.98 110.797 179.531 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.87 152.94 5.91 Favored Glycine 0 C--N 1.338 0.651 0 N-CA-C 117.408 1.723 . . . . 50.6 117.408 177.496 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -123.19 159.86 27.75 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-O 121.867 0.842 . . . . 50.21 111.882 -177.813 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -111.81 141.62 45.21 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.213 -0.903 . . . . 50.91 109.395 162.729 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 22.8 tp -104.09 119.91 39.96 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 107.467 -1.308 . . . . 43.25 107.467 167.801 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 77.4 mt -109.11 122.36 47.12 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.158 -0.682 . . . . 40.99 109.158 -174.428 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 24.2 ttp85 -85.6 126.66 65.83 Favored Pre-proline 0 N--CA 1.448 -0.535 0 N-CA-C 109.513 -0.551 . . . . 57.39 109.513 172.659 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -77.27 146.11 24.75 Favored 'Trans proline' 0 CA--C 1.512 -0.596 0 CA-C-N 118.832 0.619 . . . . 39.59 110.964 -175.767 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 25.6 m -123.87 -43.6 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 CA-C-N 114.855 -1.066 . . . . 59.49 112.039 177.189 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -149.81 162.22 40.71 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 108.13 -1.063 . . . . 59.01 108.13 175.43 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.19 -11.32 1.08 Allowed Glycine 0 C--N 1.337 0.606 0 CA-C-N 114.759 -1.11 . . . . 51.32 114.093 -166.305 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -153.96 154.49 33.89 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 118.297 -1.361 . . . . 49.41 111.378 -166.116 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -126.0 -4.94 6.85 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 114.31 -1.314 . . . . 79.82 112.598 173.294 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.421 ' HD2' ' HB1' ' B' ' 8' ' ' ALA . 59.3 mtm180 -96.15 139.98 31.52 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 118.495 0.589 . . . . 38.93 109.984 -178.629 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -68.47 138.04 54.92 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 109.222 -0.658 . . . . 41.66 109.222 167.316 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -105.36 135.67 46.31 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 108.097 -1.075 . . . . 35.89 108.097 173.475 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 10.7 t -108.85 111.52 36.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 105.874 -1.898 . . . . 36.99 105.874 166.302 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 38.8 t -104.58 119.29 53.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 108.103 -1.073 . . . . 39.71 108.103 178.199 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' THR . . . . . 0.512 HG21 ' CAB' ' B' ' 203' ' ' BLA . 6.4 p -124.4 134.11 53.21 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 124.264 1.026 . . . . 41.19 108.699 -177.282 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -106.15 154.25 20.95 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 109.188 -0.671 . . . . 46.28 109.188 171.758 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' TRP . . . . . 0.479 ' NE1' ' OG1' ' B' ' 55' ' ' THR . 12.6 m95 -151.34 153.95 35.76 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 108.352 -0.981 . . . . 37.46 108.352 -177.694 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -65.29 -30.25 71.1 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 120.152 -0.619 . . . . 61.65 111.834 -179.323 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 5.4 p -159.17 172.96 17.12 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 107.248 -1.39 . . . . 41.59 107.248 -173.202 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' ASP . . . . . 0.492 ' O ' ' HG2' ' B' ' 64' ' ' GLN . 34.2 t70 -74.8 -33.03 62.16 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 118.376 -1.33 . . . . 46.11 111.087 175.168 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -58.73 -36.27 74.03 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.846 -0.342 . . . . 55.77 111.409 174.395 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.27 -47.55 81.14 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 119.685 -0.806 . . . . 38.87 110.438 170.684 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -60.56 -45.95 92.01 Favored 'General case' 0 C--O 1.239 0.534 0 C-N-CA 119.935 -0.706 . . . . 38.73 111.366 177.789 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' GLN . . . . . 0.492 ' HG2' ' O ' ' B' ' 60' ' ' ASP . 53.5 mm-40 -64.46 -30.6 71.63 Favored 'General case' 0 C--N 1.342 0.259 0 C-N-CA 119.655 -0.818 . . . . 49.16 111.861 -176.765 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.65 -39.8 81.61 Favored 'General case' 0 CA--C 1.519 -0.229 0 C-N-CA 118.752 -1.179 . . . . 48.59 110.388 175.523 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' TRP . . . . . . . . . . . . . 31.8 t-105 -67.97 -62.75 1.26 Allowed 'General case' 0 C--O 1.24 0.553 0 C-N-CA 119.602 -0.839 . . . . 55.23 109.996 177.596 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' ALA . . . . . 0.406 ' HB1' HMA2 ' B' ' 202' ' ' BLA . . . -54.92 -56.23 21.87 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 111.869 0.322 . . . . 59.32 111.869 -174.703 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -81.71 0.16 40.14 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 113.276 0.843 . . . . 58.34 113.276 -173.989 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -109.2 -103.57 2.83 Favored Glycine 0 N--CA 1.442 -0.95 0 CA-C-O 121.819 0.677 . . . . 52.3 112.557 174.5 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo -72.59 -6.92 19.96 Favored 'Trans proline' 0 C--O 1.242 0.721 0 N-CA-C 115.574 1.336 . . . . 53.3 115.574 -174.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -84.37 -38.34 20.43 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 117.817 -1.553 . . . . 59.69 110.989 -174.014 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . 0.278 3.0 mt -55.54 -22.57 12.46 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 C-N-CA 117.624 -1.63 . . . . 70.8 112.519 176.68 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -110.02 3.45 20.4 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 120.172 1.351 . . . . 64.16 114.375 178.635 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.71 152.75 26.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 119.027 0.83 . . . . 61.96 112.381 -172.869 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 69.9 m80 51.22 43.64 29.15 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.329 -0.851 . . . . 57.56 111.525 171.438 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.08 -47.93 71.2 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-N 116.024 -0.535 . . . . 56.75 111.409 -173.91 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.87 -41.98 99.77 Favored Glycine 0 C--N 1.334 0.447 0 C-N-CA 119.65 -1.262 . . . . 61.15 112.36 -175.935 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -62.99 -38.35 90.79 Favored 'General case' 0 CA--C 1.518 -0.255 0 O-C-N 122.44 -0.447 . . . . 57.02 111.544 179.804 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' ARG . . . . . 0.582 ' NH2' HBB1 ' B' ' 201' ' ' BLA . 47.0 mtp180 -76.11 -20.84 57.3 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 113.013 0.746 . . . . 57.75 113.013 174.047 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.67 -33.07 62.4 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 118.938 -1.105 . . . . 62.19 111.05 173.311 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -120.91 86.85 42.25 Favored Pre-proline 0 C--O 1.24 0.602 0 N-CA-C 105.309 -2.108 . . . . 73.88 105.309 172.103 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_endo -92.65 148.2 2.75 Favored 'Trans proline' 0 C--N 1.327 -0.561 0 CA-C-O 122.239 0.85 . . . . 60.21 111.254 -171.287 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.405 ' CG2' ' HB1' ' B' ' 15' ' ' ALA . 8.9 p -99.13 -25.33 3.98 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 CA-C-N 114.715 -1.13 . . . . 59.81 109.612 177.575 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -78.6 152.29 31.89 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 121.273 0.559 . . . . 49.18 112.136 176.092 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' THR . . . . . 0.533 HG23 ' HD3' ' B' ' 12' ' ' PRO . 30.3 p -120.26 8.34 10.86 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 113.482 0.919 . . . . 45.35 113.482 177.375 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 179.79 173.45 44.84 Favored Glycine 0 N--CA 1.451 -0.331 0 N-CA-C 110.098 -1.201 . . . . 40.76 110.098 -179.499 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -168.35 156.81 8.66 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 108.152 -1.055 . . . . 32.81 108.152 177.968 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 1.4 m -143.17 141.12 31.06 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 109.027 -0.731 . . . . 35.21 109.027 168.593 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 11.0 tp -103.11 104.08 14.21 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 107.811 -1.181 . . . . 45.67 107.811 179.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 2.0 mt -95.16 127.85 41.53 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 108.133 -1.062 . . . . 36.38 108.133 173.64 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -122.7 132.32 54.2 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 122.548 0.339 . . . . 55.47 110.887 -171.085 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -136.36 158.5 44.27 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 115.713 -0.676 . . . . 34.35 109.86 -171.131 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -105.2 134.51 48.19 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 108.316 -0.994 . . . . 69.61 108.316 164.279 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 40.7 t -76.98 109.91 12.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 108.278 -1.008 . . . . 41.76 108.278 -178.933 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 2.9 t -101.22 -17.24 6.9 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 C-N-CA 122.551 0.341 . . . . 43.7 111.812 -174.76 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 1.2 tt -152.92 156.26 38.59 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 122.076 0.941 . . . . 62.11 110.132 176.644 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 26.1 t0 . . . . . 0 C--O 1.243 0.715 0 CA-C-N 114.878 -1.056 . . . . 66.13 111.905 -178.946 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' BLA . . . . . 0.84 ' HAB' HG21 ' A' ' 55' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 302' ' ' BLA . . . . . 0.771 HBB2 ' O2A' ' A' ' 301' ' ' BLA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' BLA . . . . . 0.582 HBB1 ' NH2' ' B' ' 79' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' BLA . . . . . 0.739 HBB2 ' O2A' ' B' ' 203' ' ' BLA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 203' ' ' BLA . . . . . 0.739 ' O2A' HBB2 ' B' ' 202' ' ' BLA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 401' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 402' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 403' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 404' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 405' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 406' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 407' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 408' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_