data_6qb2_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 6qb2 _Structure_validation_residue.Date_analyzed 2019-06-28 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 ' 4' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.802 0.334 . . . . 160.64 111.504 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -73.64 149.49 41.79 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.329 -0.939 . . . . 156.99 112.158 179.299 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.3 mt -86.05 152.47 22.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.467 0.651 . . . . 120.37 110.873 -179.527 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.8 m -75.94 168.63 19.68 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.945 0.879 . . . . 134.74 110.327 175.542 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 64.3 tt0 -75.21 154.21 37.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.507 -0.77 . . . . 148.71 109.742 174.774 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.43 118.28 9.17 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.687 -0.688 . . . . 121.93 109.928 -179.86 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -113.12 148.55 39.72 Favored Pre-proline 0 C--O 1.235 0.337 0 C-N-CA 122.732 0.413 . . . . 112.65 110.359 178.202 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -64.59 150.91 87.43 Favored 'Trans proline' 0 CA--C 1.519 -0.27 0 N-CA-C 110.456 -0.632 . . . . 110.18 110.456 173.316 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.41 156.86 22.73 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 122.079 0.943 . . . . 101.23 111.16 -174.311 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.7 p -123.66 169.53 10.14 Favored Pre-proline 0 C--O 1.238 0.487 0 CA-C-N 114.766 -1.106 . . . . 120.61 109.475 -175.042 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_exo -58.26 -31.24 93.18 Favored 'Trans proline' 0 C--O 1.238 0.524 0 N-CA-C 114.431 0.896 . . . . 114.56 114.431 178.488 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.3 pm0 -69.45 -37.3 77.28 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 119.427 -0.909 . . . . 146.95 111.175 179.028 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.5 mp -62.7 -39.91 86.51 Favored 'Isoleucine or valine' 0 C--O 1.242 0.664 0 CA-C-O 121.239 0.542 . . . . 111.52 110.103 173.383 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLN . . . . . 0.568 ' NE2' ' OD1' ' A' ' 21' ' ' ASP . 51.1 tp60 -60.75 -43.26 98.2 Favored 'General case' 0 C--O 1.237 0.43 0 O-C-N 122.062 -0.399 . . . . 114.52 111.197 177.207 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -67.9 -31.14 70.71 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 119.775 -0.77 . . . . 163.03 111.626 177.861 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 42.7 mt -62.49 -47.25 93.9 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 CA-C-O 121.287 0.565 . . . . 112.63 110.284 175.497 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.8 m -67.62 -32.78 58.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 C-N-CA 118.498 -1.281 . . . . 108.15 110.188 179.453 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASP . . . . . 0.568 ' OD1' ' NE2' ' A' ' 17' ' ' GLN . 37.5 m-20 -67.41 -32.75 73.85 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 119.971 -0.691 . . . . 111.92 111.762 178.052 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -82.86 -26.72 31.36 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 120.517 -0.473 . . . . 120.13 112.109 -179.13 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.0 m -91.12 -4.82 10.79 Favored 'Isoleucine or valine' 0 C--O 1.238 0.492 0 C-N-CA 119.992 -0.683 . . . . 102.08 112.544 175.228 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -55.53 -42.88 98.28 Favored Pre-proline 0 C--O 1.244 0.792 0 N-CA-C 114.143 1.164 . . . . 136.08 114.143 176.62 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -59.16 -37.35 92.47 Favored 'Trans proline' 0 C--O 1.237 0.459 0 CA-C-N 121.653 1.626 . . . . 126.71 113.379 177.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -64.93 -42.57 94.57 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 120.299 -0.56 . . . . 109.11 111.057 176.079 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 49.6 tp -61.22 -41.32 96.65 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.699 -0.4 . . . . 102.35 111.358 177.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -68.57 -40.91 80.35 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.646 -0.422 . . . . 114.84 111.181 179.729 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -64.83 -31.37 72.57 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.481 -0.488 . . . . 151.43 111.435 177.754 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.86 -33.43 40.11 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.188 -0.605 . . . . 126.17 112.322 178.761 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 72.2 p -100.16 -6.53 26.04 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 113.687 0.995 . . . . 133.23 113.687 -177.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 53.87 39.61 30.6 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.619 0.724 . . . . 145.82 111.379 -178.103 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -145.66 134.67 22.62 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 108.856 -0.794 . . . . 138.76 108.856 178.417 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 82.5 p -88.97 134.82 33.84 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.219 -0.446 . . . . 152.34 109.948 -179.414 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -115.12 124.14 50.76 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 108.45 -0.944 . . . . 125.1 108.45 179.329 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -75.46 -34.91 48.96 Favored Glycine 0 C--N 1.333 0.376 0 C-N-CA 120.028 -1.082 . . . . 140.47 113.225 -176.561 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -155.06 133.1 11.58 Favored 'General case' 0 C--O 1.235 0.327 0 O-C-N 122.105 -0.644 . . . . 133.81 109.469 -177.193 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 73.4 mt -121.97 111.06 16.6 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 107.039 -1.467 . . . . 113.69 107.039 173.927 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -80.85 -15.74 55.54 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 113.775 1.028 . . . . 149.52 113.775 -164.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 59.02 72.26 0.54 Allowed 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 122.15 0.976 . . . . 86.41 110.862 176.587 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 88.2 t -61.55 -61.77 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.402 0 CA-C-N 114.588 -1.187 . . . . 105.38 110.972 -179.424 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -141.6 175.01 10.03 Favored 'General case' 0 C--O 1.232 0.177 0 O-C-N 121.682 -0.636 . . . . 109.4 109.883 -175.606 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.5 p90 -157.49 153.25 26.76 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.769 -0.651 . . . . 130.72 110.259 -177.297 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -128.77 154.97 45.86 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 114.887 -1.052 . . . . 92.66 108.762 170.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 p -119.25 153.42 35.03 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.333 0.587 . . . . 106.69 110.886 -178.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -139.02 112.8 8.44 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 108.038 -1.097 . . . . 111.84 108.038 179.835 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.4 m -79.44 131.77 33.54 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 N-CA-C 108.966 -0.753 . . . . 140.53 108.966 178.128 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.5 mt -104.81 -46.44 4.31 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 112.571 0.582 . . . . 134.24 112.571 178.832 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -126.84 -170.42 2.2 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 109.813 -0.44 . . . . 176.45 109.813 175.148 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 68.9 p -100.47 121.32 41.36 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 122.333 0.253 . . . . 179.43 110.528 -171.05 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -142.46 115.57 8.85 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 105.875 -1.898 . . . . 178.75 105.875 168.051 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -66.4 -60.06 3.1 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 112.323 0.49 . . . . 194.04 112.323 -155.506 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . . . -80.88 -74.77 0.3 Allowed 'General case' 0 C--O 1.235 0.321 0 C-N-CA 118.127 -1.429 . . . . 163.43 111.391 -172.456 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . . . -169.51 125.25 0.11 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.433 0 N-CA-C 108.344 -0.984 . . . . 132.91 108.344 154.948 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . . . -139.3 -42.32 0.46 Allowed 'General case' 0 C--O 1.235 0.321 0 C-N-CA 118.393 -1.323 . . . . 155.91 114.239 164.634 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -169.46 -167.67 0.72 Allowed 'General case' 0 C--O 1.238 0.471 0 N-CA-C 108.586 -0.894 . . . . 151.56 108.586 -166.064 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.8 t 62.31 60.86 1.36 Allowed 'General case' 0 C--O 1.236 0.375 0 C-N-CA 124.616 1.166 . . . . 147.32 112.042 -177.349 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -152.4 152.09 31.61 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.346 0.593 . . . . 135.69 110.38 -176.343 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -108.55 135.02 50.5 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.403 -0.817 . . . . 110.6 109.177 171.764 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -106.01 136.53 45.53 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 109.311 -0.626 . . . . 116.35 109.311 172.588 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -115.75 103.04 10.27 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 105.763 -1.94 . . . . 109.51 105.763 171.072 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 29.1 mt -110.32 126.2 67.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 N-CA-C 108.689 -0.856 . . . . 89.59 108.689 -171.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' LYS . . . . . 0.649 ' NZ ' ' O ' ' A' ' 104' ' ' LYS . 28.9 ttmt -87.13 113.59 23.0 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 107.676 -1.231 . . . . 100.73 107.676 169.817 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 18.6 m -107.35 139.99 27.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 108.556 -0.905 . . . . 90.58 108.556 179.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 72.0 ttt-85 -94.12 114.62 26.8 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 108.103 -1.073 . . . . 98.24 108.103 172.107 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.2 -29.43 20.5 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 112.046 0.387 . . . . 101.81 112.046 179.472 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -176.38 -164.72 30.91 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.353 -0.927 . . . . 103.71 110.931 178.347 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -61.92 112.18 2.21 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.172 -0.514 . . . . 104.23 110.442 -176.927 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 58.7 25.82 13.85 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 122.967 0.507 . . . . 106.0 111.766 -177.352 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.83 105.73 9.49 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 108.435 -0.95 . . . . 105.58 108.435 178.022 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -121.08 152.66 38.4 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 124.674 1.19 . . . . 102.76 110.108 178.266 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 38.3 mtp -134.16 155.2 50.53 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.699 -0.682 . . . . 103.09 109.486 174.768 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 34.7 m170 -113.16 117.18 31.21 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.818 -0.808 . . . . 76.16 108.818 175.559 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -102.97 138.38 39.92 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 122.955 0.502 . . . . 89.77 110.201 -178.473 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -116.69 106.32 13.39 Favored 'General case' 0 C--O 1.238 0.491 0 N-CA-C 106.961 -1.496 . . . . 85.58 106.961 173.933 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 46.2 t -115.27 132.26 65.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 C-N-CA 123.779 0.832 . . . . 92.57 108.844 -174.003 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 88.0 t80 . . . . . 0 C--O 1.234 0.239 0 CA-C-O 120.793 0.33 . . . . 126.82 110.989 175.427 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.234 0 CA-C-O 120.702 0.287 . . . . 115.8 110.798 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -104.79 125.24 59.74 Favored 'Isoleucine or valine' 0 C--O 1.238 0.474 0 C-N-CA 123.236 0.614 . . . . 105.86 109.431 -173.173 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 25.8 tp -66.97 107.41 2.24 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 109.739 -0.467 . . . . 103.51 109.739 -179.784 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 55.0 p -93.32 -19.19 21.6 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 113.147 0.795 . . . . 108.6 113.147 -179.61 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -159.72 165.52 34.61 Favored Glycine 0 C--N 1.332 0.341 0 C-N-CA 118.374 -1.869 . . . . 88.24 112.256 179.016 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -162.82 146.1 11.02 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 114.993 -0.603 . . . . 105.87 109.719 175.628 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -122.91 127.24 48.67 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 114.882 -1.054 . . . . 89.98 108.254 171.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 2.9 t -98.28 162.85 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 108.533 -0.914 . . . . 106.12 108.533 -177.942 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 57.41 62.55 2.13 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 122.001 0.905 . . . . 88.29 111.122 175.036 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -110.53 157.02 20.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.148 -0.933 . . . . 97.1 109.341 171.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -98.97 168.49 10.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 122.022 0.915 . . . . 151.2 110.612 177.65 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' LYS . . . . . 0.649 ' O ' ' NZ ' ' A' ' 63' ' ' LYS . 37.0 ttpt -61.01 -39.12 88.51 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 114.924 -1.034 . . . . 138.86 111.754 -171.517 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -87.16 0.53 55.17 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 113.537 0.94 . . . . 126.36 113.537 -174.021 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -65.36 124.38 22.08 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 118.674 0.67 . . . . 93.25 109.897 179.959 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 38.3 mp0 -68.44 144.45 54.68 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.268 0.556 . . . . 140.11 110.308 176.427 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 47.1 mt -75.27 124.17 26.6 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.856 -0.611 . . . . 89.8 109.377 175.127 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 7.1 t -131.5 152.53 50.65 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.549 -0.537 . . . . 125.22 109.549 -178.702 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -72.91 148.43 41.4 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.209 -0.996 . . . . 101.55 111.93 177.718 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -150.92 153.11 34.64 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.161 -0.681 . . . . 120.93 109.161 179.347 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . . . -63.58 156.92 25.15 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.891 0.853 . . . . 140.78 110.548 179.769 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 20.2 p30 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 115.361 -0.836 . . . . 148.22 111.445 -178.828 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.802 0.334 . . . . 160.64 111.504 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -73.64 149.49 41.79 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.329 -0.939 . . . . 156.99 112.158 179.299 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.3 mt -86.05 152.47 22.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.467 0.651 . . . . 120.37 110.873 -179.527 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.8 m -75.94 168.63 19.68 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.945 0.879 . . . . 134.74 110.327 175.542 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 64.3 tt0 -75.21 154.21 37.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.507 -0.77 . . . . 148.71 109.742 174.774 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.43 118.28 9.17 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.687 -0.688 . . . . 121.93 109.928 -179.86 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -113.12 148.55 39.72 Favored Pre-proline 0 C--O 1.235 0.337 0 C-N-CA 122.732 0.413 . . . . 112.65 110.359 178.202 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -64.59 150.91 87.43 Favored 'Trans proline' 0 CA--C 1.519 -0.27 0 N-CA-C 110.456 -0.632 . . . . 110.18 110.456 173.316 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.41 156.86 22.73 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 122.079 0.943 . . . . 101.23 111.16 -174.311 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.7 p -123.66 169.53 10.14 Favored Pre-proline 0 C--O 1.238 0.487 0 CA-C-N 114.766 -1.106 . . . . 120.61 109.475 -175.042 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_exo -58.26 -31.24 93.18 Favored 'Trans proline' 0 C--O 1.238 0.524 0 N-CA-C 114.431 0.896 . . . . 114.56 114.431 178.488 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.3 pm0 -69.45 -37.3 77.28 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 119.427 -0.909 . . . . 146.95 111.175 179.028 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ILE . . . . . 0.465 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.5 mp -62.7 -39.91 86.51 Favored 'Isoleucine or valine' 0 C--O 1.242 0.664 0 CA-C-O 121.239 0.542 . . . . 111.52 110.103 173.383 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLN . . . . . 0.563 ' NE2' ' OD1' ' A' ' 21' ' ' ASP . 51.1 tp60 -60.75 -43.26 98.2 Favored 'General case' 0 C--O 1.237 0.43 0 O-C-N 122.062 -0.399 . . . . 114.52 111.197 177.207 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -67.9 -31.14 70.71 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 119.775 -0.77 . . . . 163.03 111.626 177.861 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 42.7 mt -62.49 -47.25 93.9 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 CA-C-O 121.287 0.565 . . . . 112.63 110.284 175.497 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' ' 16' ' ' ILE . 1.8 m -67.62 -32.78 58.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 C-N-CA 118.498 -1.281 . . . . 108.15 110.188 179.453 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASP . . . . . 0.563 ' OD1' ' NE2' ' A' ' 17' ' ' GLN . 37.5 m-20 -67.41 -32.75 73.85 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 119.971 -0.691 . . . . 111.92 111.762 178.052 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -82.86 -26.72 31.36 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 120.517 -0.473 . . . . 120.13 112.109 -179.13 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.0 m -91.12 -4.82 10.79 Favored 'Isoleucine or valine' 0 C--O 1.238 0.492 0 C-N-CA 119.992 -0.683 . . . . 102.08 112.544 175.228 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -55.53 -42.88 98.28 Favored Pre-proline 0 C--O 1.244 0.792 0 N-CA-C 114.143 1.164 . . . . 136.08 114.143 176.62 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -59.16 -37.35 92.47 Favored 'Trans proline' 0 C--O 1.237 0.459 0 CA-C-N 121.653 1.626 . . . . 126.71 113.379 177.858 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -64.93 -42.57 94.57 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 120.299 -0.56 . . . . 109.11 111.057 176.079 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 49.6 tp -61.22 -41.32 96.65 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.699 -0.4 . . . . 102.35 111.358 177.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -68.57 -40.91 80.35 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.646 -0.422 . . . . 114.84 111.181 179.729 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -64.83 -31.37 72.57 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.481 -0.488 . . . . 151.43 111.435 177.754 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.86 -33.43 40.11 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.188 -0.605 . . . . 126.17 112.322 178.761 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 72.2 p -100.16 -6.53 26.04 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 113.687 0.995 . . . . 133.23 113.687 -177.602 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 53.87 39.61 30.6 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.619 0.724 . . . . 145.82 111.379 -178.103 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -145.66 134.67 22.62 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 108.856 -0.794 . . . . 138.76 108.856 178.417 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 82.5 p -88.97 134.82 33.84 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.219 -0.446 . . . . 152.34 109.948 -179.414 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -115.12 124.14 50.76 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 108.45 -0.944 . . . . 125.1 108.45 179.329 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -75.46 -34.91 48.96 Favored Glycine 0 C--N 1.333 0.376 0 C-N-CA 120.028 -1.082 . . . . 140.47 113.225 -176.561 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -155.06 133.1 11.58 Favored 'General case' 0 C--O 1.235 0.327 0 O-C-N 122.105 -0.644 . . . . 133.81 109.469 -177.193 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 73.4 mt -121.97 111.06 16.6 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 107.039 -1.467 . . . . 113.69 107.039 173.927 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -80.85 -15.74 55.54 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 113.775 1.028 . . . . 149.52 113.775 -164.657 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 59.02 72.26 0.54 Allowed 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 122.15 0.976 . . . . 86.41 110.862 176.587 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 88.2 t -61.55 -61.77 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.402 0 CA-C-N 114.588 -1.187 . . . . 105.38 110.972 -179.424 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -141.6 175.01 10.03 Favored 'General case' 0 C--O 1.232 0.177 0 O-C-N 121.682 -0.636 . . . . 109.4 109.883 -175.606 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.5 p90 -157.49 153.25 26.76 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.769 -0.651 . . . . 130.72 110.259 -177.297 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -128.77 154.97 45.86 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 114.887 -1.052 . . . . 92.66 108.762 170.918 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 p -119.25 153.42 35.03 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.333 0.587 . . . . 106.69 110.886 -178.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -139.02 112.8 8.44 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 108.038 -1.097 . . . . 111.84 108.038 179.835 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.4 m -79.44 131.77 33.54 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 N-CA-C 108.966 -0.753 . . . . 140.53 108.966 178.128 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.5 mt -104.81 -46.44 4.31 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 112.571 0.582 . . . . 134.24 112.571 178.832 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -126.84 -170.42 2.2 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 109.813 -0.44 . . . . 176.45 109.813 175.148 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 68.9 p -100.47 121.32 41.36 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 122.333 0.253 . . . . 179.43 110.528 -171.05 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -142.46 115.57 8.85 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 105.875 -1.898 . . . . 178.75 105.875 168.051 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -66.4 -60.06 3.1 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 112.323 0.49 . . . . 194.04 112.323 -155.506 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . . . -80.88 -74.77 0.3 Allowed 'General case' 0 C--O 1.235 0.321 0 C-N-CA 118.127 -1.429 . . . . 163.43 111.391 -172.456 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . . . -169.51 125.25 0.11 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.433 0 N-CA-C 108.344 -0.984 . . . . 132.91 108.344 154.948 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . . . -139.3 -42.32 0.46 Allowed 'General case' 0 C--O 1.235 0.321 0 C-N-CA 118.393 -1.323 . . . . 155.91 114.239 164.634 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -169.46 -167.67 0.72 Allowed 'General case' 0 C--O 1.238 0.471 0 N-CA-C 108.586 -0.894 . . . . 151.56 108.586 -166.064 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.8 t 62.31 60.86 1.36 Allowed 'General case' 0 C--O 1.236 0.375 0 C-N-CA 124.616 1.166 . . . . 147.32 112.042 -177.349 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -152.4 152.09 31.61 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.346 0.593 . . . . 135.69 110.38 -176.343 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -108.55 135.02 50.5 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.403 -0.817 . . . . 110.6 109.177 171.764 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -106.01 136.53 45.53 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 109.311 -0.626 . . . . 116.35 109.311 172.588 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -115.75 103.04 10.27 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 105.763 -1.94 . . . . 109.51 105.763 171.072 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 29.1 mt -110.32 126.2 67.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 N-CA-C 108.689 -0.856 . . . . 89.59 108.689 -171.963 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' LYS . . . . . 0.576 ' NZ ' ' O ' ' A' ' 104' ' ' LYS . 28.9 ttmt -87.13 113.59 23.0 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 107.676 -1.231 . . . . 100.73 107.676 169.817 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 18.6 m -107.35 139.99 27.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 108.556 -0.905 . . . . 90.58 108.556 179.963 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 72.0 ttt-85 -94.12 114.62 26.8 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 108.103 -1.073 . . . . 98.24 108.103 172.107 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.2 -29.43 20.5 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 112.046 0.387 . . . . 101.81 112.046 179.472 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -176.38 -164.72 30.91 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.353 -0.927 . . . . 103.71 110.931 178.347 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -61.92 112.18 2.21 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.172 -0.514 . . . . 104.23 110.442 -176.927 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 58.7 25.82 13.85 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 122.967 0.507 . . . . 106.0 111.766 -177.352 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.83 105.73 9.49 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 108.435 -0.95 . . . . 105.58 108.435 178.022 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -121.08 152.66 38.4 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 124.674 1.19 . . . . 102.76 110.108 178.266 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 38.3 mtp -134.16 155.2 50.53 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.699 -0.682 . . . . 103.09 109.486 174.768 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 34.7 m170 -113.16 117.18 31.21 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.818 -0.808 . . . . 76.16 108.818 175.559 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -102.97 138.38 39.92 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 122.955 0.502 . . . . 89.77 110.201 -178.473 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -116.69 106.32 13.39 Favored 'General case' 0 C--O 1.238 0.491 0 N-CA-C 106.961 -1.496 . . . . 85.58 106.961 173.933 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 46.2 t -115.27 132.26 65.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 C-N-CA 123.779 0.832 . . . . 92.57 108.844 -174.003 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 88.0 t80 . . . . . 0 C--O 1.234 0.239 0 CA-C-O 120.793 0.33 . . . . 126.82 110.989 175.427 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.234 0 CA-C-O 120.702 0.287 . . . . 115.8 110.798 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -104.79 125.24 59.74 Favored 'Isoleucine or valine' 0 C--O 1.238 0.474 0 C-N-CA 123.236 0.614 . . . . 105.86 109.431 -173.173 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 25.8 tp -66.97 107.41 2.24 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 109.739 -0.467 . . . . 103.51 109.739 -179.784 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 55.0 p -93.32 -19.19 21.6 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 113.147 0.795 . . . . 108.6 113.147 -179.61 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -159.72 165.52 34.61 Favored Glycine 0 C--N 1.332 0.341 0 C-N-CA 118.374 -1.869 . . . . 88.24 112.256 179.016 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -162.82 146.1 11.02 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 114.993 -0.603 . . . . 105.87 109.719 175.628 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -122.91 127.24 48.67 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 114.882 -1.054 . . . . 89.98 108.254 171.706 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 2.9 t -98.28 162.85 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 108.533 -0.914 . . . . 106.12 108.533 -177.942 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 57.41 62.55 2.13 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 122.001 0.905 . . . . 88.29 111.122 175.036 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -110.53 157.02 20.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.148 -0.933 . . . . 97.1 109.341 171.937 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -98.97 168.49 10.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 122.022 0.915 . . . . 151.2 110.612 177.65 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' LYS . . . . . 0.576 ' O ' ' NZ ' ' A' ' 63' ' ' LYS . 37.0 ttpt -61.01 -39.12 88.51 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 114.924 -1.034 . . . . 138.86 111.754 -171.517 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -87.16 0.53 55.17 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 113.537 0.94 . . . . 126.36 113.537 -174.021 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -65.36 124.38 22.08 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 118.674 0.67 . . . . 93.25 109.897 179.959 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 38.3 mp0 -68.44 144.45 54.68 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.268 0.556 . . . . 140.11 110.308 176.427 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 47.1 mt -75.27 124.17 26.6 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.856 -0.611 . . . . 89.8 109.377 175.127 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 7.1 t -131.5 152.53 50.65 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.549 -0.537 . . . . 125.22 109.549 -178.702 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -72.91 148.43 41.4 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.209 -0.996 . . . . 101.55 111.93 177.718 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -150.92 153.11 34.64 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.161 -0.681 . . . . 120.93 109.161 179.347 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . . . -63.58 156.92 25.15 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.891 0.853 . . . . 140.78 110.548 179.769 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 20.2 p30 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 115.361 -0.836 . . . . 148.22 111.445 -178.828 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.434 ' HB2' HE21 ' A' ' 46' ' ' GLN . 6.1 ptp180 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.802 0.334 . . . . 160.64 111.504 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -73.64 149.49 41.79 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.329 -0.939 . . . . 156.99 112.158 179.299 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.3 mt -86.05 152.47 22.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.467 0.651 . . . . 120.37 110.873 -179.527 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.8 m -75.94 168.63 19.68 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.945 0.879 . . . . 134.74 110.327 175.542 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 64.3 tt0 -75.21 154.21 37.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.507 -0.77 . . . . 148.71 109.742 174.774 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.43 118.28 9.17 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.687 -0.688 . . . . 121.93 109.928 -179.86 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -113.12 148.55 39.72 Favored Pre-proline 0 C--O 1.235 0.337 0 C-N-CA 122.732 0.413 . . . . 112.65 110.359 178.202 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -64.59 150.91 87.43 Favored 'Trans proline' 0 CA--C 1.519 -0.27 0 N-CA-C 110.456 -0.632 . . . . 110.18 110.456 173.316 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.41 156.86 22.73 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 122.079 0.943 . . . . 101.23 111.16 -174.311 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.7 p -123.66 169.53 10.14 Favored Pre-proline 0 C--O 1.238 0.487 0 CA-C-N 114.766 -1.106 . . . . 120.61 109.475 -175.042 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_exo -58.26 -31.24 93.18 Favored 'Trans proline' 0 C--O 1.238 0.524 0 N-CA-C 114.431 0.896 . . . . 114.56 114.431 178.488 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.3 pm0 -69.45 -37.3 77.28 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 119.427 -0.909 . . . . 146.95 111.175 179.028 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.465 ' O ' HG13 ' A' ' 20' ' ' VAL . 1.5 mp -62.7 -39.91 86.51 Favored 'Isoleucine or valine' 0 C--O 1.242 0.664 0 CA-C-O 121.239 0.542 . . . . 111.52 110.103 173.383 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.563 ' NE2' ' OD1' ' A' ' 21' ' ' ASP . 51.1 tp60 -60.75 -43.26 98.2 Favored 'General case' 0 C--O 1.237 0.43 0 O-C-N 122.062 -0.399 . . . . 114.52 111.197 177.207 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -67.9 -31.14 70.71 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 119.775 -0.77 . . . . 163.03 111.626 177.861 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 42.7 mt -62.49 -47.25 93.9 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 CA-C-O 121.287 0.565 . . . . 112.63 110.284 175.497 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' ' 16' ' ' ILE . 1.8 m -67.62 -32.78 58.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 C-N-CA 118.498 -1.281 . . . . 108.15 110.188 179.453 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.563 ' OD1' ' NE2' ' A' ' 17' ' ' GLN . 37.5 m-20 -67.41 -32.75 73.85 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 119.971 -0.691 . . . . 111.92 111.762 178.052 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -82.86 -26.72 31.36 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 120.517 -0.473 . . . . 120.13 112.109 -179.13 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.0 m -91.12 -4.82 10.79 Favored 'Isoleucine or valine' 0 C--O 1.238 0.492 0 C-N-CA 119.992 -0.683 . . . . 102.08 112.544 175.228 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -55.53 -42.88 98.28 Favored Pre-proline 0 C--O 1.244 0.792 0 N-CA-C 114.143 1.164 . . . . 136.08 114.143 176.62 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -59.16 -37.35 92.47 Favored 'Trans proline' 0 C--O 1.237 0.459 0 CA-C-N 121.653 1.626 . . . . 126.71 113.379 177.858 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -64.93 -42.57 94.57 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 120.299 -0.56 . . . . 109.11 111.057 176.079 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 49.6 tp -61.22 -41.32 96.65 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.699 -0.4 . . . . 102.35 111.358 177.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -68.57 -40.91 80.35 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.646 -0.422 . . . . 114.84 111.181 179.729 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -64.83 -31.37 72.57 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.481 -0.488 . . . . 151.43 111.435 177.754 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.86 -33.43 40.11 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.188 -0.605 . . . . 126.17 112.322 178.761 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 72.2 p -100.16 -6.53 26.04 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 113.687 0.995 . . . . 133.23 113.687 -177.602 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 53.87 39.61 30.6 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.619 0.724 . . . . 145.82 111.379 -178.103 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -145.66 134.67 22.62 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 108.856 -0.794 . . . . 138.76 108.856 178.417 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 82.5 p -88.97 134.82 33.84 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.219 -0.446 . . . . 152.34 109.948 -179.414 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -115.12 124.14 50.76 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 108.45 -0.944 . . . . 125.1 108.45 179.329 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -75.46 -34.91 48.96 Favored Glycine 0 C--N 1.333 0.376 0 C-N-CA 120.028 -1.082 . . . . 140.47 113.225 -176.561 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -155.06 133.1 11.58 Favored 'General case' 0 C--O 1.235 0.327 0 O-C-N 122.105 -0.644 . . . . 133.81 109.469 -177.193 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 73.4 mt -121.97 111.06 16.6 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 107.039 -1.467 . . . . 113.69 107.039 173.927 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -80.85 -15.74 55.54 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 113.775 1.028 . . . . 149.52 113.775 -164.657 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 59.02 72.26 0.54 Allowed 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 122.15 0.976 . . . . 86.41 110.862 176.587 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 88.2 t -61.55 -61.77 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.402 0 CA-C-N 114.588 -1.187 . . . . 105.38 110.972 -179.424 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -141.6 175.01 10.03 Favored 'General case' 0 C--O 1.232 0.177 0 O-C-N 121.682 -0.636 . . . . 109.4 109.883 -175.606 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.5 p90 -157.49 153.25 26.76 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.769 -0.651 . . . . 130.72 110.259 -177.297 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -128.77 154.97 45.86 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 114.887 -1.052 . . . . 92.66 108.762 170.918 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 p -119.25 153.42 35.03 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.333 0.587 . . . . 106.69 110.886 -178.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.434 HE21 ' HB2' ' A' ' 4' ' ' ARG . 56.8 tt0 -139.02 112.8 8.44 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 108.038 -1.097 . . . . 111.84 108.038 179.835 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.4 m -79.44 131.77 33.54 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 N-CA-C 108.966 -0.753 . . . . 140.53 108.966 178.128 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.5 mt -104.81 -46.44 4.31 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 112.571 0.582 . . . . 134.24 112.571 178.832 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -126.84 -170.42 2.2 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 109.813 -0.44 . . . . 176.45 109.813 175.148 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 68.9 p -100.47 121.32 41.36 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 122.333 0.253 . . . . 179.43 110.528 -171.05 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -142.46 115.57 8.85 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 105.875 -1.898 . . . . 178.75 105.875 168.051 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -66.4 -60.06 3.1 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 112.323 0.49 . . . . 194.04 112.323 -155.506 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . . . -80.88 -74.77 0.3 Allowed 'General case' 0 C--O 1.235 0.321 0 C-N-CA 118.127 -1.429 . . . . 163.43 111.391 -172.456 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . . . -169.51 125.25 0.11 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.433 0 N-CA-C 108.344 -0.984 . . . . 132.91 108.344 154.948 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . . . -139.3 -42.32 0.46 Allowed 'General case' 0 C--O 1.235 0.321 0 C-N-CA 118.393 -1.323 . . . . 155.91 114.239 164.634 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -169.46 -167.67 0.72 Allowed 'General case' 0 C--O 1.238 0.471 0 N-CA-C 108.586 -0.894 . . . . 151.56 108.586 -166.064 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.8 t 62.31 60.86 1.36 Allowed 'General case' 0 C--O 1.236 0.375 0 C-N-CA 124.616 1.166 . . . . 147.32 112.042 -177.349 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -152.4 152.09 31.61 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.346 0.593 . . . . 135.69 110.38 -176.343 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -108.55 135.02 50.5 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.403 -0.817 . . . . 110.6 109.177 171.764 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -106.01 136.53 45.53 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 109.311 -0.626 . . . . 116.35 109.311 172.588 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -115.75 103.04 10.27 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 105.763 -1.94 . . . . 109.51 105.763 171.072 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 29.1 mt -110.32 126.2 67.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 N-CA-C 108.689 -0.856 . . . . 89.59 108.689 -171.963 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.576 ' NZ ' ' O ' ' A' ' 104' ' ' LYS . 28.9 ttmt -87.13 113.59 23.0 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 107.676 -1.231 . . . . 100.73 107.676 169.817 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 18.6 m -107.35 139.99 27.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 108.556 -0.905 . . . . 90.58 108.556 179.963 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 72.0 ttt-85 -94.12 114.62 26.8 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 108.103 -1.073 . . . . 98.24 108.103 172.107 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.2 -29.43 20.5 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 112.046 0.387 . . . . 101.81 112.046 179.472 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -176.38 -164.72 30.91 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.353 -0.927 . . . . 103.71 110.931 178.347 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -61.92 112.18 2.21 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.172 -0.514 . . . . 104.23 110.442 -176.927 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 58.7 25.82 13.85 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 122.967 0.507 . . . . 106.0 111.766 -177.352 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.83 105.73 9.49 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 108.435 -0.95 . . . . 105.58 108.435 178.022 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -121.08 152.66 38.4 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 124.674 1.19 . . . . 102.76 110.108 178.266 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 38.3 mtp -134.16 155.2 50.53 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.699 -0.682 . . . . 103.09 109.486 174.768 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 34.7 m170 -113.16 117.18 31.21 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.818 -0.808 . . . . 76.16 108.818 175.559 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -102.97 138.38 39.92 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 122.955 0.502 . . . . 89.77 110.201 -178.473 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -116.69 106.32 13.39 Favored 'General case' 0 C--O 1.238 0.491 0 N-CA-C 106.961 -1.496 . . . . 85.58 106.961 173.933 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 46.2 t -115.27 132.26 65.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 C-N-CA 123.779 0.832 . . . . 92.57 108.844 -174.003 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 88.0 t80 . . . . . 0 C--O 1.234 0.239 0 CA-C-O 120.793 0.33 . . . . 126.82 110.989 175.427 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.234 0 CA-C-O 120.702 0.287 . . . . 115.8 110.798 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -104.79 125.24 59.74 Favored 'Isoleucine or valine' 0 C--O 1.238 0.474 0 C-N-CA 123.236 0.614 . . . . 105.86 109.431 -173.173 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 25.8 tp -66.97 107.41 2.24 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 109.739 -0.467 . . . . 103.51 109.739 -179.784 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 55.0 p -93.32 -19.19 21.6 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 113.147 0.795 . . . . 108.6 113.147 -179.61 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -159.72 165.52 34.61 Favored Glycine 0 C--N 1.332 0.341 0 C-N-CA 118.374 -1.869 . . . . 88.24 112.256 179.016 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -162.82 146.1 11.02 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 114.993 -0.603 . . . . 105.87 109.719 175.628 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -122.91 127.24 48.67 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 114.882 -1.054 . . . . 89.98 108.254 171.706 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 2.9 t -98.28 162.85 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 108.533 -0.914 . . . . 106.12 108.533 -177.942 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 57.41 62.55 2.13 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 122.001 0.905 . . . . 88.29 111.122 175.036 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -110.53 157.02 20.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.148 -0.933 . . . . 97.1 109.341 171.937 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -98.97 168.49 10.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 122.022 0.915 . . . . 151.2 110.612 177.65 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.576 ' O ' ' NZ ' ' A' ' 63' ' ' LYS . 37.0 ttpt -61.01 -39.12 88.51 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 114.924 -1.034 . . . . 138.86 111.754 -171.517 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -87.16 0.53 55.17 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 113.537 0.94 . . . . 126.36 113.537 -174.021 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -65.36 124.38 22.08 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 118.674 0.67 . . . . 93.25 109.897 179.959 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 38.3 mp0 -68.44 144.45 54.68 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.268 0.556 . . . . 140.11 110.308 176.427 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 47.1 mt -75.27 124.17 26.6 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.856 -0.611 . . . . 89.8 109.377 175.127 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 7.1 t -131.5 152.53 50.65 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.549 -0.537 . . . . 125.22 109.549 -178.702 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -72.91 148.43 41.4 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.209 -0.996 . . . . 101.55 111.93 177.718 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -150.92 153.11 34.64 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.161 -0.681 . . . . 120.93 109.161 179.347 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . . . -63.58 156.92 25.15 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.891 0.853 . . . . 140.78 110.548 179.769 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 20.2 p30 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 115.361 -0.836 . . . . 148.22 111.445 -178.828 . . . . . . . . 0 0 . 1 stop_ save_