data_5zs6_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 5zs6 _Structure_validation_residue.Date_analyzed 2019-01-25 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 ' 19' ' ' LEU . . . . . . . . . . . . . 6.6 mp . . . . . 0 C--O 1.231 0.121 0 N-CA-C 113.398 0.888 . . . . 59.63 113.398 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -79.39 143.81 26.32 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 107.475 -2.25 . . . . 46.5 107.475 -178.257 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.3 p -122.33 169.63 10.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.78 0.8 . . . . 49.87 110.42 177.876 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 66.4 m -49.96 -47.35 52.67 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.216 -0.902 . . . . 56.56 110.843 172.371 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.58 -24.66 41.9 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 112.479 0.548 . . . . 52.69 112.479 -174.53 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . . . -136.14 73.64 57.72 Favored Pre-proline 0 C--O 1.237 0.439 0 N-CA-C 108.241 -1.022 . . . . 44.15 108.241 173.462 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -65.87 151.01 85.34 Favored 'Trans proline' 0 C--N 1.329 -0.457 0 C-N-CA 120.731 0.954 . . . . 39.79 113.36 -177.063 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.47 145.96 45.31 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.052 -0.976 . . . . 39.35 108.991 163.399 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.9 m -106.22 150.2 9.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 107.15 -1.426 . . . . 42.56 107.15 -178.445 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -120.28 144.55 38.3 Favored Pre-proline 0 N--CA 1.446 -0.67 0 C-N-CA 119.867 -0.733 . . . . 45.9 110.409 177.702 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -69.02 151.3 73.33 Favored 'Trans proline' 0 C--N 1.331 -0.363 0 CA-C-O 122.501 0.959 . . . . 29.99 111.611 -173.901 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 22.1 ttp -134.78 137.45 43.41 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.062 -1.426 . . . . 41.3 109.957 -170.508 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -110.68 140.59 44.9 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 108.463 -0.94 . . . . 34.5 108.463 162.333 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -139.31 139.32 37.28 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 109.994 -0.373 . . . . 36.05 109.994 178.208 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 28.3 p90 -161.28 157.57 25.74 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 109.271 -0.64 . . . . 34.11 109.271 179.86 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . . . -95.03 128.99 42.28 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 108.443 -0.947 . . . . 38.5 108.443 174.433 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -119.96 87.95 2.84 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 107.076 -1.453 . . . . 67.28 107.076 178.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 58.99 -110.67 2.78 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.703 -0.68 . . . . 47.83 111.699 -176.371 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . . . -95.55 12.48 29.4 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 117.792 0.796 . . . . 49.79 112.328 -175.103 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . . . -130.14 143.95 51.07 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.094 0.473 . . . . 50.33 110.014 -179.38 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -102.65 129.8 49.36 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.843 -1.169 . . . . 46.76 107.843 171.526 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.2 t -119.99 137.04 55.13 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 N-CA-C 109.679 -0.489 . . . . 29.87 109.679 -174.229 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.2 t -129.0 133.56 65.82 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 N-CA-C 107.888 -1.152 . . . . 25.37 107.888 175.977 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -126.65 135.56 51.35 Favored 'General case' 0 C--O 1.235 0.321 0 O-C-N 123.03 0.206 . . . . 51.73 111.424 175.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -118.02 135.18 54.33 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 123.947 0.899 . . . . 30.65 109.934 178.89 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -77.55 110.14 12.09 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.13 -0.693 . . . . 40.31 109.13 167.175 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.7 mt -137.19 58.24 17.16 Favored Pre-proline 0 N--CA 1.468 0.458 0 CA-C-O 121.241 0.543 . . . . 42.55 109.985 -177.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -66.71 145.22 74.76 Favored 'Trans proline' 0 C--N 1.33 -0.4 0 C-N-CA 120.255 0.637 . . . . 40.34 112.487 -173.188 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.87 30.08 70.53 Favored Glycine 0 C--N 1.333 0.372 0 C-N-CA 119.723 -1.227 . . . . 53.16 112.894 168.409 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 31.8 mm -97.95 135.22 33.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 C-N-CA 125.014 1.326 . . . . 57.62 108.989 179.401 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -80.08 126.39 31.0 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.138 -0.483 . . . . 81.16 110.416 171.192 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.38 -30.74 12.99 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.886 -0.597 . . . . 69.48 111.859 -178.723 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . . . -55.84 -29.43 59.83 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.987 -0.285 . . . . 66.83 111.147 179.714 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.5 -41.06 20.2 Favored 'General case' 0 C--O 1.238 0.463 0 O-C-N 122.382 -0.199 . . . . 61.26 111.279 -175.99 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 12.7 mt -49.34 127.86 15.86 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 121.043 0.449 . . . . 51.84 110.756 -175.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . . . -136.15 130.18 32.88 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.276 -1.379 . . . . 41.71 107.276 172.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 76.6 mt -116.08 114.72 46.96 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 N-CA-C 107.028 -1.471 . . . . 51.16 107.028 175.628 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . . . -106.33 131.73 53.2 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 106.476 -1.676 . . . . 49.38 106.476 177.076 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 22.7 pt -116.33 131.34 69.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 107.83 -1.174 . . . . 64.89 107.83 176.238 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' GLU . . . . . 0.555 ' O ' ' C ' ' A' ' 59' ' ' ARG . 1.6 tt0 -114.48 167.72 10.48 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 106.267 -1.753 . . . . 87.93 106.267 178.396 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ARG . . . . . 0.555 ' C ' ' O ' ' A' ' 58' ' ' GLU . 10.5 mmt85 -25.99 -54.96 0.06 Allowed 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.274 -0.421 . . . . 90.71 110.337 -174.872 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -140.74 22.84 2.3 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 111.93 0.345 . . . . 71.94 111.93 178.379 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 6.1 t -121.9 127.76 75.48 Favored 'Isoleucine or valine' 0 C--O 1.237 0.395 0 N-CA-C 108.802 -0.814 . . . . 60.98 108.802 -177.217 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 50.8 t -105.27 129.29 58.3 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 N-CA-C 108.077 -1.083 . . . . 45.35 108.077 172.332 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 34.7 m -120.01 126.4 50.72 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.874 -1.158 . . . . 53.69 107.874 177.171 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 97.7 t -110.38 130.06 64.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 107.055 -1.461 . . . . 41.85 107.055 178.379 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 66.0 ttt-85 -135.66 130.56 34.51 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.485 -0.561 . . . . 42.42 109.485 178.924 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -140.42 157.61 45.27 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 108.575 -0.898 . . . . 46.03 108.575 176.49 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 60.1 tt0 -130.48 135.19 47.72 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 107.124 -1.435 . . . . 72.92 107.124 175.089 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -118.32 117.74 34.55 Favored Pre-proline 0 C--O 1.244 0.793 0 N-CA-C 105.342 -2.096 . . . . 50.93 105.342 171.206 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -59.7 147.9 90.11 Favored 'Trans proline' 0 C--N 1.329 -0.45 0 C-N-CA 121.016 1.144 . . . . 30.25 114.465 -170.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.98 155.55 34.18 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.403 -1.271 . . . . 29.66 110.521 172.441 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 46.8 t -69.95 141.93 16.53 Favored 'Isoleucine or valine' 0 C--O 1.241 0.618 0 CA-C-N 115.023 -0.99 . . . . 39.34 109.891 178.347 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -41.96 119.08 2.09 Favored Pre-proline 0 C--N 1.325 -0.48 0 C-N-CA 123.826 0.851 . . . . 45.83 108.903 172.736 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -56.45 -24.51 52.99 Favored 'Trans proline' 0 CA--C 1.503 -1.041 0 CA-C-N 118.806 0.609 . . . . 38.39 113.171 -177.059 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -84.9 -0.72 55.11 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 113.518 0.933 . . . . 52.61 113.518 -179.383 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.9 tpp180 -95.77 121.41 37.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 118.515 0.598 . . . . 46.95 109.456 -179.163 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . . . -83.25 106.9 15.41 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 109.49 -0.559 . . . . 38.11 109.49 175.973 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 85.7 mmm -83.26 138.75 33.45 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.084 0.469 . . . . 37.79 110.1 176.041 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.2 mp -84.44 -28.66 26.7 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.23 -0.441 . . . . 37.33 112.003 168.652 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -142.98 140.13 30.92 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 107.779 -1.193 . . . . 34.03 107.779 170.865 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.2 t -146.03 64.98 1.22 Allowed 'General case' 0 C--O 1.224 -0.272 0 CA-C-O 122.443 1.116 . . . . 42.65 110.081 179.204 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -88.46 -19.42 26.53 Favored 'General case' 0 C--O 1.235 0.338 0 O-C-N 120.934 -1.104 . . . . 35.46 113.178 -174.594 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 56.2 mtm180 -72.91 134.04 81.52 Favored Pre-proline 0 C--N 1.315 -0.896 0 C-N-CA 119.15 -1.02 . . . . 39.22 110.377 -171.848 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -67.96 140.85 51.47 Favored 'Trans proline' 0 CA--C 1.517 -0.347 0 CA-C-N 118.878 0.635 . . . . 36.63 110.69 -178.401 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 88.4 mtt-85 -133.1 168.51 18.37 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.661 0.743 . . . . 41.96 109.994 -177.79 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 100.33 -141.89 15.62 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 114.949 -1.023 . . . . 29.85 111.485 177.834 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 97.8 t -91.4 126.51 44.05 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 CA-C-N 117.644 0.722 . . . . 34.27 109.497 -173.56 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -107.21 142.22 37.27 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 123.268 0.627 . . . . 34.67 109.889 169.555 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.0 t -156.4 140.76 16.67 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.669 -0.413 . . . . 37.34 110.03 -178.425 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -147.17 137.42 23.34 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 107.789 -1.189 . . . . 38.0 107.789 171.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -115.28 131.45 56.93 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.72 -0.474 . . . . 74.69 109.72 177.824 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.66 130.95 55.86 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.257 -0.646 . . . . 49.35 109.257 176.141 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 80.2 t -96.9 111.89 27.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 106.738 -1.579 . . . . 49.93 106.738 172.853 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 69.5 mt -96.32 152.29 18.73 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 124.281 1.032 . . . . 51.06 110.662 -174.014 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -74.01 167.93 54.38 Favored Glycine 0 N--CA 1.446 -0.646 0 CA-C-O 122.746 1.192 . . . . 52.56 111.835 179.461 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . . . -64.88 -28.2 69.38 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 119.905 -0.718 . . . . 67.44 111.531 -174.066 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -72.91 -0.96 15.05 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 114.507 1.299 . . . . 71.61 114.507 -178.285 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 13.2 mt -95.17 121.9 37.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 120.502 1.501 . . . . 64.68 109.782 -177.543 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -80.17 74.47 6.98 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 122.521 1.153 . . . . 57.62 108.829 178.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 76.2 p -53.41 -30.79 41.98 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 114.873 -1.058 . . . . 57.46 112.04 -176.17 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.88 -28.32 68.8 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 119.842 -0.743 . . . . 44.06 112.07 -176.504 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . . . -97.44 26.47 4.89 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 113.203 0.816 . . . . 49.69 113.203 -178.164 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 9.9 tt -60.88 141.29 17.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 121.371 0.605 . . . . 39.77 111.178 179.91 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -120.7 133.66 55.33 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 123.61 0.764 . . . . 37.57 108.962 172.221 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -130.99 136.91 48.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.793 0.33 . . . . 32.07 110.892 -175.361 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 78.4 p -140.95 155.02 46.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.934 0.873 . . . . 45.9 108.973 178.243 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -135.42 114.33 12.05 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 106.521 -1.659 . . . . 40.76 106.521 -176.193 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.1 t -152.03 143.22 23.25 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.868 -0.605 . . . . 46.77 109.827 -178.195 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . . . 52.38 33.76 13.62 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.579 -0.737 . . . . 54.78 110.319 -178.413 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 73.41 14.22 79.5 Favored Glycine 0 C--N 1.333 0.412 0 CA-C-O 119.139 -0.812 . . . . 26.01 114.267 178.327 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 61.0 t -115.78 124.35 72.09 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 CA-C-N 118.241 1.021 . . . . 29.66 110.164 179.432 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 36.5 tp -89.68 116.5 27.85 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 109.573 -0.529 . . . . 25.82 109.573 170.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -111.17 128.72 56.0 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 109.199 -0.667 . . . . 58.78 109.199 -179.144 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 51.0 mt -112.58 136.68 51.83 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 123.069 0.548 . . . . 29.69 110.188 176.124 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -124.55 115.64 21.17 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.419 -0.956 . . . . 51.84 108.419 176.467 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 4.3 mp -114.22 121.88 35.55 Favored Pre-proline 0 C--O 1.238 0.484 0 N-CA-C 107.264 -1.384 . . . . 38.58 107.264 -179.178 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -63.99 142.66 82.39 Favored 'Trans proline' 0 C--N 1.327 -0.568 0 CA-C-N 119.411 0.825 . . . . 40.48 110.978 176.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 99.1 t -94.19 130.5 43.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 107.598 -1.26 . . . . 42.43 107.598 173.764 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -125.27 86.4 2.54 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 107.361 -1.348 . . . . 54.78 107.361 -173.955 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . . . -62.71 137.51 58.28 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 120.266 -0.573 . . . . 54.65 110.512 -176.919 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 15.2 mmtt -69.82 158.68 35.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 122.205 1.002 . . . . 48.78 112.112 169.883 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -74.53 136.43 42.15 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.059 -0.973 . . . . 42.64 111.085 179.328 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 45.73 67.03 4.64 Favored Pre-proline 0 C--O 1.238 0.478 0 C-N-CA 124.935 1.294 . . . . 42.42 111.893 175.111 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -69.9 155.08 66.37 Favored 'Trans proline' 0 C--N 1.333 -0.265 0 C-N-CA 120.887 1.058 . . . . 40.51 114.594 -174.689 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 44.3 mmm-85 -65.82 139.23 58.3 Favored 'General case' 0 CA--C 1.522 -0.116 0 CA-C-N 114.044 -1.435 . . . . 59.22 112.462 175.462 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . . . -126.22 110.21 13.19 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 107.423 -1.325 . . . . 52.59 107.423 170.532 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 18.5 mm -78.55 125.87 38.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-O 121.288 0.566 . . . . 46.42 109.652 -175.714 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.1 p -95.83 146.49 24.51 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.388 0.613 . . . . 56.19 110.581 175.312 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 5.1 mp -108.63 126.0 65.5 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 N-CA-C 108.146 -1.057 . . . . 54.75 108.146 -177.697 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' THR . . . . . 0.421 ' CG2' ' N ' ' A' ' 130' ' ' ARG . 5.3 m -79.41 159.01 27.24 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 121.689 0.757 . . . . 56.52 110.449 174.013 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' ARG . . . . . 0.421 ' N ' ' CG2' ' A' ' 129' ' ' THR . . . . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 115.346 -0.843 . . . . 74.28 110.436 171.961 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' U' U ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.397 0 N-CA-C 111.813 -0.515 . . . . 70.94 111.813 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' U' U ' 2' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -112.44 143.69 43.14 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.544 -0.539 . . . . 65.26 109.544 -176.91 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' U' U ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -165.33 143.75 6.24 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.375 -0.602 . . . . 59.12 109.375 -171.36 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' U' U ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.258 0 O-C-N 123.518 0.512 . . . . 70.27 111.312 179.575 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' PEG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' PEG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' PEG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo . . . . . 0 C--O 1.237 0.446 0 CA-C-O 120.683 0.201 . . . . 78.37 112.256 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . 0.671 HD21 ' HB2' ' A' ' 70' ' ' ALA . 6.6 mp . . . . . 0 C--O 1.231 0.121 0 N-CA-C 113.398 0.888 . . . . 59.63 113.398 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -79.39 143.81 26.32 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 107.475 -2.25 . . . . 46.5 107.475 -178.257 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.3 p -122.33 169.63 10.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.78 0.8 . . . . 49.87 110.42 177.876 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' SER . . . . . 0.463 ' HA ' ' NH2' ' A' ' 65' ' ' ARG . 66.4 m -49.96 -47.35 52.67 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.216 -0.902 . . . . 56.56 110.843 172.371 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.58 -24.66 41.9 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 112.479 0.548 . . . . 52.69 112.479 -174.53 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . . . -136.14 73.64 57.72 Favored Pre-proline 0 C--O 1.237 0.439 0 N-CA-C 108.241 -1.022 . . . . 44.15 108.241 173.462 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -65.87 151.01 85.34 Favored 'Trans proline' 0 C--N 1.329 -0.457 0 C-N-CA 120.731 0.954 . . . . 39.79 113.36 -177.063 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.47 145.96 45.31 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.052 -0.976 . . . . 39.35 108.991 163.399 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.9 m -106.22 150.2 9.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 107.15 -1.426 . . . . 42.56 107.15 -178.445 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -120.28 144.55 38.3 Favored Pre-proline 0 N--CA 1.446 -0.67 0 C-N-CA 119.867 -0.733 . . . . 45.9 110.409 177.702 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' PRO . . . . . 0.486 ' HG3' ' H41' ' A' ' 203' ' ' PEG . 72.4 Cg_endo -69.02 151.3 73.33 Favored 'Trans proline' 0 C--N 1.331 -0.363 0 CA-C-O 122.501 0.959 . . . . 29.99 111.611 -173.901 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 22.1 ttp -134.78 137.45 43.41 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.062 -1.426 . . . . 41.3 109.957 -170.508 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -110.68 140.59 44.9 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 108.463 -0.94 . . . . 34.5 108.463 162.333 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -139.31 139.32 37.28 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 109.994 -0.373 . . . . 36.05 109.994 178.208 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 28.3 p90 -161.28 157.57 25.74 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 109.271 -0.64 . . . . 34.11 109.271 179.86 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . . . -95.03 128.99 42.28 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 108.443 -0.947 . . . . 38.5 108.443 174.433 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -119.96 87.95 2.84 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 107.076 -1.453 . . . . 67.28 107.076 178.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 58.99 -110.67 2.78 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.703 -0.68 . . . . 47.83 111.699 -176.371 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . . . -95.55 12.48 29.4 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 117.792 0.796 . . . . 49.79 112.328 -175.103 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . . . -130.14 143.95 51.07 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.094 0.473 . . . . 50.33 110.014 -179.38 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -102.65 129.8 49.36 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.843 -1.169 . . . . 46.76 107.843 171.526 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.2 t -119.99 137.04 55.13 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 N-CA-C 109.679 -0.489 . . . . 29.87 109.679 -174.229 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' VAL . . . . . 0.53 HG11 HD21 ' A' ' 91' ' ' LEU . 6.2 t -129.0 133.56 65.82 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 N-CA-C 107.888 -1.152 . . . . 25.37 107.888 175.977 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -126.65 135.56 51.35 Favored 'General case' 0 C--O 1.235 0.321 0 O-C-N 123.03 0.206 . . . . 51.73 111.424 175.593 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -118.02 135.18 54.33 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 123.947 0.899 . . . . 30.65 109.934 178.89 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ASP . . . . . 0.408 ' HB2' ' HG2' ' A' ' 29' ' ' PRO . 96.5 m-20 -77.55 110.14 12.09 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.13 -0.693 . . . . 40.31 109.13 167.175 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.7 mt -137.19 58.24 17.16 Favored Pre-proline 0 N--CA 1.468 0.458 0 CA-C-O 121.241 0.543 . . . . 42.55 109.985 -177.77 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -66.71 145.22 74.76 Favored 'Trans proline' 0 C--N 1.33 -0.4 0 C-N-CA 120.255 0.637 . . . . 40.34 112.487 -173.188 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.87 30.08 70.53 Favored Glycine 0 C--N 1.333 0.372 0 C-N-CA 119.723 -1.227 . . . . 53.16 112.894 168.409 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 31.8 mm -97.95 135.22 33.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 C-N-CA 125.014 1.326 . . . . 57.62 108.989 179.401 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -80.08 126.39 31.0 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.138 -0.483 . . . . 81.16 110.416 171.192 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.38 -30.74 12.99 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.886 -0.597 . . . . 69.48 111.859 -178.723 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . . . -55.84 -29.43 59.83 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.987 -0.285 . . . . 66.83 111.147 179.714 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.5 -41.06 20.2 Favored 'General case' 0 C--O 1.238 0.463 0 O-C-N 122.382 -0.199 . . . . 61.26 111.279 -175.99 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 12.7 mt -49.34 127.86 15.86 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 121.043 0.449 . . . . 51.84 110.756 -175.988 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . . . -136.15 130.18 32.88 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.276 -1.379 . . . . 41.71 107.276 172.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 76.6 mt -116.08 114.72 46.96 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 N-CA-C 107.028 -1.471 . . . . 51.16 107.028 175.628 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . . . -106.33 131.73 53.2 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 106.476 -1.676 . . . . 49.38 106.476 177.076 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 22.7 pt -116.33 131.34 69.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 107.83 -1.174 . . . . 64.89 107.83 176.238 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' GLU . . . . . 0.583 ' HG2' ' H ' ' A' ' 59' ' ' ARG . 1.6 tt0 -114.48 167.72 10.48 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 106.267 -1.753 . . . . 87.93 106.267 178.396 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ARG . . . . . 0.583 ' H ' ' HG2' ' A' ' 58' ' ' GLU . 10.5 mmt85 -25.99 -54.96 0.06 Allowed 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.274 -0.421 . . . . 90.71 110.337 -174.872 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -140.74 22.84 2.3 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 111.93 0.345 . . . . 71.94 111.93 178.379 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' VAL . . . . . 0.496 ' HB ' ' HB3' ' A' ' 58' ' ' GLU . 6.1 t -121.9 127.76 75.48 Favored 'Isoleucine or valine' 0 C--O 1.237 0.395 0 N-CA-C 108.802 -0.814 . . . . 60.98 108.802 -177.217 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 62' ' ' VAL . . . . . 0.543 HG23 HD11 ' A' ' 93' ' ' LEU . 50.8 t -105.27 129.29 58.3 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 N-CA-C 108.077 -1.083 . . . . 45.35 108.077 172.332 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 63' ' ' THR . . . . . 0.556 ' OG1' ' HG2' ' A' ' 90' ' ' GLN . 34.7 m -120.01 126.4 50.72 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.874 -1.158 . . . . 53.69 107.874 177.171 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 97.7 t -110.38 130.06 64.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 107.055 -1.461 . . . . 41.85 107.055 178.379 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ARG . . . . . 0.463 ' NH2' ' HA ' ' A' ' 22' ' ' SER . 66.0 ttt-85 -135.66 130.56 34.51 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.485 -0.561 . . . . 47.61 109.485 178.924 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -140.42 157.61 45.27 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 108.575 -0.898 . . . . 46.03 108.575 176.49 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 60.1 tt0 -130.48 135.19 47.72 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 107.124 -1.435 . . . . 72.92 107.124 175.089 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -118.32 117.74 34.55 Favored Pre-proline 0 C--O 1.244 0.793 0 N-CA-C 105.342 -2.096 . . . . 50.93 105.342 171.206 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -59.7 147.9 90.11 Favored 'Trans proline' 0 C--N 1.329 -0.45 0 C-N-CA 121.016 1.144 . . . . 30.25 114.465 -170.64 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ALA . . . . . 0.671 ' HB2' HD21 ' A' ' 19' ' ' LEU . . . -64.98 155.55 34.18 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.403 -1.271 . . . . 29.66 110.521 172.441 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 46.8 t -69.95 141.93 16.53 Favored 'Isoleucine or valine' 0 C--O 1.241 0.618 0 CA-C-N 115.023 -0.99 . . . . 39.34 109.891 178.347 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -41.96 119.08 2.09 Favored Pre-proline 0 C--N 1.325 -0.48 0 C-N-CA 123.826 0.851 . . . . 45.83 108.903 172.736 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -56.45 -24.51 52.99 Favored 'Trans proline' 0 CA--C 1.503 -1.041 0 CA-C-N 118.806 0.609 . . . . 38.39 113.171 -177.059 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -84.9 -0.72 55.11 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 113.518 0.933 . . . . 52.61 113.518 -179.383 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.9 tpp180 -95.77 121.41 37.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 118.515 0.598 . . . . 46.95 109.456 -179.163 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . . . -83.25 106.9 15.41 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 109.49 -0.559 . . . . 38.11 109.49 175.973 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 85.7 mmm -83.26 138.75 33.45 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.084 0.469 . . . . 37.79 110.1 176.041 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.2 mp -84.44 -28.66 26.7 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.23 -0.441 . . . . 37.33 112.003 168.652 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -142.98 140.13 30.92 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 107.779 -1.193 . . . . 34.03 107.779 170.865 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.2 t -146.03 64.98 1.22 Allowed 'General case' 0 C--O 1.224 -0.272 0 CA-C-O 122.443 1.116 . . . . 42.65 110.081 179.204 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -88.46 -19.42 26.53 Favored 'General case' 0 C--O 1.235 0.338 0 O-C-N 120.934 -1.104 . . . . 35.46 113.178 -174.594 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 56.2 mtm180 -72.91 134.04 81.52 Favored Pre-proline 0 C--N 1.315 -0.896 0 C-N-CA 119.15 -1.02 . . . . 39.22 110.377 -171.848 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -67.96 140.85 51.47 Favored 'Trans proline' 0 CA--C 1.517 -0.347 0 CA-C-N 118.878 0.635 . . . . 36.63 110.69 -178.401 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' ARG . . . . . 0.676 HH22 ' H32' ' A' ' 202' ' ' PEG . 88.4 mtt-85 -133.1 168.51 18.37 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.661 0.743 . . . . 41.96 109.994 -177.79 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 100.33 -141.89 15.62 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 114.949 -1.023 . . . . 29.85 111.485 177.834 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 97.8 t -91.4 126.51 44.05 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 CA-C-N 117.644 0.722 . . . . 34.27 109.497 -173.56 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -107.21 142.22 37.27 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 123.268 0.627 . . . . 34.67 109.889 169.555 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.0 t -156.4 140.76 16.67 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.669 -0.413 . . . . 37.34 110.03 -178.425 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -147.17 137.42 23.34 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 107.789 -1.189 . . . . 38.0 107.789 171.945 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' GLN . . . . . 0.556 ' HG2' ' OG1' ' A' ' 63' ' ' THR . 82.8 mt-30 -115.28 131.45 56.93 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.72 -0.474 . . . . 74.69 109.72 177.824 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 91' ' ' LEU . . . . . 0.53 HD21 HG11 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -112.66 130.95 55.86 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.257 -0.646 . . . . 49.35 109.257 176.141 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 80.2 t -96.9 111.89 27.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 106.738 -1.579 . . . . 49.93 106.738 172.853 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' LEU . . . . . 0.71 ' HB3' HD12 ' A' ' 97' ' ' LEU . 69.5 mt -96.32 152.29 18.73 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 124.281 1.032 . . . . 51.06 110.662 -174.014 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -74.01 167.93 54.38 Favored Glycine 0 N--CA 1.446 -0.646 0 CA-C-O 122.746 1.192 . . . . 52.56 111.835 179.461 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . . . -64.88 -28.2 69.38 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 119.905 -0.718 . . . . 67.44 111.531 -174.066 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -72.91 -0.96 15.05 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 114.507 1.299 . . . . 71.61 114.507 -178.285 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' LEU . . . . . 0.71 HD12 ' HB3' ' A' ' 93' ' ' LEU . 13.2 mt -95.17 121.9 37.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 120.502 1.501 . . . . 64.68 109.782 -177.543 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -80.17 74.47 6.98 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 122.521 1.153 . . . . 57.62 108.829 178.64 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 76.2 p -53.41 -30.79 41.98 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 114.873 -1.058 . . . . 57.46 112.04 -176.17 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.88 -28.32 68.8 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 119.842 -0.743 . . . . 44.06 112.07 -176.504 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . . . -97.44 26.47 4.89 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 113.203 0.816 . . . . 49.69 113.203 -178.164 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 9.9 tt -60.88 141.29 17.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 121.371 0.605 . . . . 39.77 111.178 179.91 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -120.7 133.66 55.33 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 123.61 0.764 . . . . 37.57 108.962 172.221 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -130.99 136.91 48.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.793 0.33 . . . . 32.07 110.892 -175.361 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 78.4 p -140.95 155.02 46.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.934 0.873 . . . . 45.9 108.973 178.243 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -135.42 114.33 12.05 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 106.521 -1.659 . . . . 40.76 106.521 -176.193 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.1 t -152.03 143.22 23.25 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.868 -0.605 . . . . 46.77 109.827 -178.195 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . . . 52.38 33.76 13.62 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.579 -0.737 . . . . 54.78 110.319 -178.413 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 73.41 14.22 79.5 Favored Glycine 0 C--N 1.333 0.412 0 CA-C-O 119.139 -0.812 . . . . 26.01 114.267 178.327 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 61.0 t -115.78 124.35 72.09 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 CA-C-N 118.241 1.021 . . . . 29.66 110.164 179.432 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 36.5 tp -89.68 116.5 27.85 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 109.573 -0.529 . . . . 25.82 109.573 170.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -111.17 128.72 56.0 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 109.199 -0.667 . . . . 58.78 109.199 -179.144 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 51.0 mt -112.58 136.68 51.83 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 123.069 0.548 . . . . 29.69 110.188 176.124 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -124.55 115.64 21.17 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.419 -0.956 . . . . 51.84 108.419 176.467 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 4.3 mp -114.22 121.88 35.55 Favored Pre-proline 0 C--O 1.238 0.484 0 N-CA-C 107.264 -1.384 . . . . 38.58 107.264 -179.178 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -63.99 142.66 82.39 Favored 'Trans proline' 0 C--N 1.327 -0.568 0 CA-C-N 119.411 0.825 . . . . 40.48 110.978 176.908 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 99.1 t -94.19 130.5 43.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 107.598 -1.26 . . . . 42.43 107.598 173.764 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -125.27 86.4 2.54 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 107.361 -1.348 . . . . 54.78 107.361 -173.955 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . . . -62.71 137.51 58.28 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 120.266 -0.573 . . . . 54.65 110.512 -176.919 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 15.2 mmtt -69.82 158.68 35.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 122.205 1.002 . . . . 48.78 112.112 169.883 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' ALA . . . . . 0.476 ' O ' ' HG2' ' A' ' 122' ' ' LYS . . . -74.53 136.43 42.15 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.059 -0.973 . . . . 42.64 111.085 179.328 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 122' ' ' LYS . . . . . 0.544 ' N ' ' HD3' ' A' ' 122' ' ' LYS . 0.0 OUTLIER 45.73 67.03 4.64 Favored Pre-proline 0 C--O 1.238 0.478 0 C-N-CA 124.935 1.294 . . . . 50.23 111.893 175.111 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -69.9 155.08 66.37 Favored 'Trans proline' 0 C--N 1.333 -0.265 0 C-N-CA 120.887 1.058 . . . . 40.51 114.594 -174.689 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' ARG . . . . . 0.936 ' HE ' ' HD2' ' A' ' 204' ' ' PRO . 44.3 mmm-85 -65.82 139.23 58.3 Favored 'General case' 0 CA--C 1.522 -0.116 0 CA-C-N 114.044 -1.435 . . . . 59.22 112.462 175.462 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 125' ' ' LYS . . . . . 0.999 ' H ' ' HD3' ' A' ' 204' ' ' PRO . . . -126.22 110.21 13.19 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 107.423 -1.325 . . . . 52.59 107.423 170.532 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 18.5 mm -78.55 125.87 38.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-O 121.288 0.566 . . . . 46.42 109.652 -175.714 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.1 p -95.83 146.49 24.51 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.388 0.613 . . . . 56.19 110.581 175.312 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 5.1 mp -108.63 126.0 65.5 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 N-CA-C 108.146 -1.057 . . . . 54.75 108.146 -177.697 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' THR . . . . . 0.421 ' CG2' ' N ' ' A' ' 130' ' ' ARG . 5.3 m -79.41 159.01 27.24 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 121.689 0.757 . . . . 56.52 110.449 174.013 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 130' ' ' ARG . . . . . 0.421 ' N ' ' CG2' ' A' ' 129' ' ' THR . . . . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 115.346 -0.843 . . . . 74.28 110.436 171.961 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' U' U ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.397 0 N-CA-C 111.813 -0.515 . . . . 70.94 111.813 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' U' U ' 2' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -112.44 143.69 43.14 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.544 -0.539 . . . . 65.26 109.544 -176.91 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' U' U ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -165.33 143.75 6.24 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.375 -0.602 . . . . 59.12 109.375 -171.36 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' U' U ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.258 0 O-C-N 123.518 0.512 . . . . 70.27 111.312 179.575 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 201' ' ' PEG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' PEG . . . . . 0.676 ' H32' HH22 ' A' ' 84' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 203' ' ' PEG . . . . . 0.486 ' H41' ' HG3' ' A' ' 29' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 204' ' ' PRO . . . . . 0.999 ' HD3' ' H ' ' A' ' 125' ' ' LYS . 50.0 Cg_exo . . . . . 0 C--O 1.237 0.446 0 CA-C-O 120.683 0.201 . . . . 78.37 112.256 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 205' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.671 HD21 ' HB2' ' A' ' 70' ' ' ALA . 6.6 mp . . . . . 0 C--O 1.231 0.121 0 N-CA-C 113.398 0.888 . . . . 59.63 113.398 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -79.39 143.81 26.32 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 107.475 -2.25 . . . . 46.5 107.475 -178.257 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.3 p -122.33 169.63 10.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.78 0.8 . . . . 49.87 110.42 177.876 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' SER . . . . . 0.463 ' HA ' ' NH2' ' A' ' 65' ' ' ARG . 66.4 m -49.96 -47.35 52.67 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.216 -0.902 . . . . 56.56 110.843 172.371 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.58 -24.66 41.9 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 112.479 0.548 . . . . 52.69 112.479 -174.53 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . . . -136.14 73.64 57.72 Favored Pre-proline 0 C--O 1.237 0.439 0 N-CA-C 108.241 -1.022 . . . . 44.15 108.241 173.462 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -65.87 151.01 85.34 Favored 'Trans proline' 0 C--N 1.329 -0.457 0 C-N-CA 120.731 0.954 . . . . 39.79 113.36 -177.063 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.47 145.96 45.31 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.052 -0.976 . . . . 39.35 108.991 163.399 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.9 m -106.22 150.2 9.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 107.15 -1.426 . . . . 42.56 107.15 -178.445 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -120.28 144.55 38.3 Favored Pre-proline 0 N--CA 1.446 -0.67 0 C-N-CA 119.867 -0.733 . . . . 45.9 110.409 177.702 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.486 ' HG3' ' H41' ' A' ' 203' ' ' PEG . 72.4 Cg_endo -69.02 151.3 73.33 Favored 'Trans proline' 0 C--N 1.331 -0.363 0 CA-C-O 122.501 0.959 . . . . 29.99 111.611 -173.901 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 22.1 ttp -134.78 137.45 43.41 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.062 -1.426 . . . . 41.3 109.957 -170.508 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -110.68 140.59 44.9 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 108.463 -0.94 . . . . 34.5 108.463 162.333 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -139.31 139.32 37.28 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 109.994 -0.373 . . . . 36.05 109.994 178.208 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 28.3 p90 -161.28 157.57 25.74 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 109.271 -0.64 . . . . 34.11 109.271 179.86 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . . . -95.03 128.99 42.28 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 108.443 -0.947 . . . . 38.5 108.443 174.433 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -119.96 87.95 2.84 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 107.076 -1.453 . . . . 67.28 107.076 178.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 58.99 -110.67 2.78 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.703 -0.68 . . . . 47.83 111.699 -176.371 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . . . -95.55 12.48 29.4 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 117.792 0.796 . . . . 49.79 112.328 -175.103 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . . . -130.14 143.95 51.07 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.094 0.473 . . . . 50.33 110.014 -179.38 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -102.65 129.8 49.36 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.843 -1.169 . . . . 46.76 107.843 171.526 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.2 t -119.99 137.04 55.13 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 N-CA-C 109.679 -0.489 . . . . 29.87 109.679 -174.229 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.53 HG11 HD21 ' A' ' 91' ' ' LEU . 6.2 t -129.0 133.56 65.82 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 N-CA-C 107.888 -1.152 . . . . 25.37 107.888 175.977 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -126.65 135.56 51.35 Favored 'General case' 0 C--O 1.235 0.321 0 O-C-N 123.03 0.206 . . . . 51.73 111.424 175.593 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -118.02 135.18 54.33 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 123.947 0.899 . . . . 30.65 109.934 178.89 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.408 ' HB2' ' HG2' ' A' ' 29' ' ' PRO . 96.5 m-20 -77.55 110.14 12.09 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.13 -0.693 . . . . 40.31 109.13 167.175 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.7 mt -137.19 58.24 17.16 Favored Pre-proline 0 N--CA 1.468 0.458 0 CA-C-O 121.241 0.543 . . . . 42.55 109.985 -177.77 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -66.71 145.22 74.76 Favored 'Trans proline' 0 C--N 1.33 -0.4 0 C-N-CA 120.255 0.637 . . . . 40.34 112.487 -173.188 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.87 30.08 70.53 Favored Glycine 0 C--N 1.333 0.372 0 C-N-CA 119.723 -1.227 . . . . 53.16 112.894 168.409 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 31.8 mm -97.95 135.22 33.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 C-N-CA 125.014 1.326 . . . . 57.62 108.989 179.401 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -80.08 126.39 31.0 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.138 -0.483 . . . . 81.16 110.416 171.192 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.38 -30.74 12.99 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.886 -0.597 . . . . 69.48 111.859 -178.723 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . . . -55.84 -29.43 59.83 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.987 -0.285 . . . . 66.83 111.147 179.714 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.5 -41.06 20.2 Favored 'General case' 0 C--O 1.238 0.463 0 O-C-N 122.382 -0.199 . . . . 61.26 111.279 -175.99 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 12.7 mt -49.34 127.86 15.86 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 121.043 0.449 . . . . 51.84 110.756 -175.988 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . . . -136.15 130.18 32.88 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.276 -1.379 . . . . 41.71 107.276 172.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 76.6 mt -116.08 114.72 46.96 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 N-CA-C 107.028 -1.471 . . . . 51.16 107.028 175.628 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . . . -106.33 131.73 53.2 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 106.476 -1.676 . . . . 49.38 106.476 177.076 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 22.7 pt -116.33 131.34 69.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 107.83 -1.174 . . . . 64.89 107.83 176.238 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.583 ' HG2' ' H ' ' A' ' 59' ' ' ARG . 1.6 tt0 -114.48 167.72 10.48 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 106.267 -1.753 . . . . 87.93 106.267 178.396 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.583 ' H ' ' HG2' ' A' ' 58' ' ' GLU . 10.5 mmt85 -25.99 -54.96 0.06 Allowed 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.274 -0.421 . . . . 90.71 110.337 -174.872 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -140.74 22.84 2.3 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 111.93 0.345 . . . . 71.94 111.93 178.379 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.496 ' HB ' ' HB3' ' A' ' 58' ' ' GLU . 6.1 t -121.9 127.76 75.48 Favored 'Isoleucine or valine' 0 C--O 1.237 0.395 0 N-CA-C 108.802 -0.814 . . . . 60.98 108.802 -177.217 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.543 HG23 HD11 ' A' ' 93' ' ' LEU . 50.8 t -105.27 129.29 58.3 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 N-CA-C 108.077 -1.083 . . . . 45.35 108.077 172.332 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' THR . . . . . 0.556 ' OG1' ' HG2' ' A' ' 90' ' ' GLN . 34.7 m -120.01 126.4 50.72 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.874 -1.158 . . . . 53.69 107.874 177.171 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 97.7 t -110.38 130.06 64.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 107.055 -1.461 . . . . 41.85 107.055 178.379 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.463 ' NH2' ' HA ' ' A' ' 22' ' ' SER . 66.0 ttt-85 -135.66 130.56 34.51 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.485 -0.561 . . . . 47.61 109.485 178.924 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -140.42 157.61 45.27 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 108.575 -0.898 . . . . 46.03 108.575 176.49 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 60.1 tt0 -130.48 135.19 47.72 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 107.124 -1.435 . . . . 72.92 107.124 175.089 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -118.32 117.74 34.55 Favored Pre-proline 0 C--O 1.244 0.793 0 N-CA-C 105.342 -2.096 . . . . 50.93 105.342 171.206 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -59.7 147.9 90.11 Favored 'Trans proline' 0 C--N 1.329 -0.45 0 C-N-CA 121.016 1.144 . . . . 30.25 114.465 -170.64 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.671 ' HB2' HD21 ' A' ' 19' ' ' LEU . . . -64.98 155.55 34.18 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.403 -1.271 . . . . 29.66 110.521 172.441 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 46.8 t -69.95 141.93 16.53 Favored 'Isoleucine or valine' 0 C--O 1.241 0.618 0 CA-C-N 115.023 -0.99 . . . . 39.34 109.891 178.347 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -41.96 119.08 2.09 Favored Pre-proline 0 C--N 1.325 -0.48 0 C-N-CA 123.826 0.851 . . . . 45.83 108.903 172.736 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -56.45 -24.51 52.99 Favored 'Trans proline' 0 CA--C 1.503 -1.041 0 CA-C-N 118.806 0.609 . . . . 38.39 113.171 -177.059 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -84.9 -0.72 55.11 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 113.518 0.933 . . . . 52.61 113.518 -179.383 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.9 tpp180 -95.77 121.41 37.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 118.515 0.598 . . . . 46.95 109.456 -179.163 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . . . -83.25 106.9 15.41 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 109.49 -0.559 . . . . 38.11 109.49 175.973 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 85.7 mmm -83.26 138.75 33.45 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.084 0.469 . . . . 37.79 110.1 176.041 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.2 mp -84.44 -28.66 26.7 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.23 -0.441 . . . . 37.33 112.003 168.652 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -142.98 140.13 30.92 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 107.779 -1.193 . . . . 34.03 107.779 170.865 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.2 t -146.03 64.98 1.22 Allowed 'General case' 0 C--O 1.224 -0.272 0 CA-C-O 122.443 1.116 . . . . 42.65 110.081 179.204 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -88.46 -19.42 26.53 Favored 'General case' 0 C--O 1.235 0.338 0 O-C-N 120.934 -1.104 . . . . 35.46 113.178 -174.594 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 56.2 mtm180 -72.91 134.04 81.52 Favored Pre-proline 0 C--N 1.315 -0.896 0 C-N-CA 119.15 -1.02 . . . . 39.22 110.377 -171.848 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -67.96 140.85 51.47 Favored 'Trans proline' 0 CA--C 1.517 -0.347 0 CA-C-N 118.878 0.635 . . . . 36.63 110.69 -178.401 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.676 HH22 ' H32' ' A' ' 202' ' ' PEG . 88.4 mtt-85 -133.1 168.51 18.37 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.661 0.743 . . . . 41.96 109.994 -177.79 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 100.33 -141.89 15.62 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 114.949 -1.023 . . . . 29.85 111.485 177.834 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 97.8 t -91.4 126.51 44.05 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 CA-C-N 117.644 0.722 . . . . 34.27 109.497 -173.56 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -107.21 142.22 37.27 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 123.268 0.627 . . . . 34.67 109.889 169.555 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.0 t -156.4 140.76 16.67 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.669 -0.413 . . . . 37.34 110.03 -178.425 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -147.17 137.42 23.34 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 107.789 -1.189 . . . . 38.0 107.789 171.945 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.556 ' HG2' ' OG1' ' A' ' 63' ' ' THR . 82.8 mt-30 -115.28 131.45 56.93 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.72 -0.474 . . . . 74.69 109.72 177.824 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.53 HD21 HG11 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -112.66 130.95 55.86 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.257 -0.646 . . . . 49.35 109.257 176.141 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 80.2 t -96.9 111.89 27.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 106.738 -1.579 . . . . 49.93 106.738 172.853 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.71 ' HB3' HD12 ' A' ' 97' ' ' LEU . 69.5 mt -96.32 152.29 18.73 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 124.281 1.032 . . . . 51.06 110.662 -174.014 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -74.01 167.93 54.38 Favored Glycine 0 N--CA 1.446 -0.646 0 CA-C-O 122.746 1.192 . . . . 52.56 111.835 179.461 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . . . -64.88 -28.2 69.38 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 119.905 -0.718 . . . . 67.44 111.531 -174.066 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -72.91 -0.96 15.05 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 114.507 1.299 . . . . 71.61 114.507 -178.285 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.71 HD12 ' HB3' ' A' ' 93' ' ' LEU . 13.2 mt -95.17 121.9 37.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 120.502 1.501 . . . . 64.68 109.782 -177.543 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -80.17 74.47 6.98 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 122.521 1.153 . . . . 57.62 108.829 178.64 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 76.2 p -53.41 -30.79 41.98 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 114.873 -1.058 . . . . 57.46 112.04 -176.17 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.88 -28.32 68.8 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 119.842 -0.743 . . . . 44.06 112.07 -176.504 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . . . -97.44 26.47 4.89 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 113.203 0.816 . . . . 49.69 113.203 -178.164 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 9.9 tt -60.88 141.29 17.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 121.371 0.605 . . . . 39.77 111.178 179.91 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -120.7 133.66 55.33 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 123.61 0.764 . . . . 37.57 108.962 172.221 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -130.99 136.91 48.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.793 0.33 . . . . 32.07 110.892 -175.361 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 78.4 p -140.95 155.02 46.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.934 0.873 . . . . 45.9 108.973 178.243 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -135.42 114.33 12.05 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 106.521 -1.659 . . . . 40.76 106.521 -176.193 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.1 t -152.03 143.22 23.25 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.868 -0.605 . . . . 46.77 109.827 -178.195 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . . . 52.38 33.76 13.62 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.579 -0.737 . . . . 54.78 110.319 -178.413 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 73.41 14.22 79.5 Favored Glycine 0 C--N 1.333 0.412 0 CA-C-O 119.139 -0.812 . . . . 26.01 114.267 178.327 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 61.0 t -115.78 124.35 72.09 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 CA-C-N 118.241 1.021 . . . . 29.66 110.164 179.432 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 36.5 tp -89.68 116.5 27.85 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 109.573 -0.529 . . . . 25.82 109.573 170.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -111.17 128.72 56.0 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 109.199 -0.667 . . . . 58.78 109.199 -179.144 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 51.0 mt -112.58 136.68 51.83 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 123.069 0.548 . . . . 29.69 110.188 176.124 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -124.55 115.64 21.17 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.419 -0.956 . . . . 51.84 108.419 176.467 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 4.3 mp -114.22 121.88 35.55 Favored Pre-proline 0 C--O 1.238 0.484 0 N-CA-C 107.264 -1.384 . . . . 38.58 107.264 -179.178 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -63.99 142.66 82.39 Favored 'Trans proline' 0 C--N 1.327 -0.568 0 CA-C-N 119.411 0.825 . . . . 40.48 110.978 176.908 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 99.1 t -94.19 130.5 43.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 107.598 -1.26 . . . . 42.43 107.598 173.764 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -125.27 86.4 2.54 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 107.361 -1.348 . . . . 54.78 107.361 -173.955 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . . . -62.71 137.51 58.28 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 120.266 -0.573 . . . . 54.65 110.512 -176.919 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 15.2 mmtt -69.82 158.68 35.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 122.205 1.002 . . . . 48.78 112.112 169.883 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.476 ' O ' ' HG2' ' A' ' 122' ' ' LYS . . . -74.53 136.43 42.15 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.059 -0.973 . . . . 42.64 111.085 179.328 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.544 ' N ' ' HD3' ' A' ' 122' ' ' LYS . 0.0 OUTLIER 45.73 67.03 4.64 Favored Pre-proline 0 C--O 1.238 0.478 0 C-N-CA 124.935 1.294 . . . . 50.23 111.893 175.111 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -69.9 155.08 66.37 Favored 'Trans proline' 0 C--N 1.333 -0.265 0 C-N-CA 120.887 1.058 . . . . 40.51 114.594 -174.689 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.936 ' HE ' ' HD2' ' A' ' 204' ' ' PRO . 44.3 mmm-85 -65.82 139.23 58.3 Favored 'General case' 0 CA--C 1.522 -0.116 0 CA-C-N 114.044 -1.435 . . . . 59.22 112.462 175.462 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.999 ' H ' ' HD3' ' A' ' 204' ' ' PRO . . . -126.22 110.21 13.19 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 107.423 -1.325 . . . . 52.59 107.423 170.532 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 18.5 mm -78.55 125.87 38.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-O 121.288 0.566 . . . . 46.42 109.652 -175.714 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 8.1 p -95.83 146.49 24.51 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.388 0.613 . . . . 56.19 110.581 175.312 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 5.1 mp -108.63 126.0 65.5 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 N-CA-C 108.146 -1.057 . . . . 54.75 108.146 -177.697 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' THR . . . . . 0.421 ' CG2' ' N ' ' A' ' 130' ' ' ARG . 5.3 m -79.41 159.01 27.24 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 121.689 0.757 . . . . 56.52 110.449 174.013 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.421 ' N ' ' CG2' ' A' ' 129' ' ' THR . . . . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 115.346 -0.843 . . . . 74.28 110.436 171.961 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' U' U ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.397 0 N-CA-C 111.813 -0.515 . . . . 70.94 111.813 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' U' U ' 2' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -112.44 143.69 43.14 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.544 -0.539 . . . . 65.26 109.544 -176.91 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' U' U ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -165.33 143.75 6.24 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.375 -0.602 . . . . 59.12 109.375 -171.36 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' U' U ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.258 0 O-C-N 123.518 0.512 . . . . 70.27 111.312 179.575 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' PEG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' PEG . . . . . 0.676 ' H32' HH22 ' A' ' 84' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' PEG . . . . . 0.486 ' H41' ' HG3' ' A' ' 29' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' PRO . . . . . 0.999 ' HD3' ' H ' ' A' ' 125' ' ' LYS . 50.0 Cg_exo . . . . . 0 C--O 1.237 0.446 0 CA-C-O 120.683 0.201 . . . . 78.37 112.256 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_