data_1pi2_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1pi2 _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 3' ' ' TYR . . . . . 0.418 ' OH ' ' CE ' ' A' ' 61' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.501 2.088 0 N-CA-C 106.547 -1.649 . . . . 15.0 106.547 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -94.31 -19.19 20.89 Favored 'General case' 0 C--O 1.278 2.574 0 O-C-N 126.535 2.397 . . . . 15.0 110.726 179.526 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -63.05 147.59 94.16 Favored Pre-proline 0 C--O 1.276 2.493 0 O-C-N 125.311 1.632 . . . . 15.0 109.98 179.889 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -89.14 125.12 1.51 Allowed 'Trans proline' 0 C--O 1.279 2.563 0 O-C-N 127.13 3.174 . . . . 15.0 113.371 -177.095 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 24.9 p -146.16 173.93 11.77 Favored 'General case' 0 C--O 1.28 2.677 0 C-N-CA 130.262 3.425 . . . . 15.0 105.647 -179.736 57.145 115.032 82.433 110.911 1.944 118.3 -63.941 -57.553 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 44.3 t -160.07 127.6 4.59 Favored 'General case' 0 C--O 1.289 3.146 0 CA-C-O 114.228 -2.796 . . . . 15.0 108.888 177.636 -176.861 82.248 120.606 99.406 1.98 109.319 66.003 -157.497 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -86.84 -46.12 10.24 Favored 'General case' 0 C--O 1.281 2.712 0 O-C-N 126.934 2.646 . . . . 15.0 112.687 179.575 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.3 mt -112.5 109.56 19.21 Favored 'General case' 0 N--CA 1.524 3.274 0 CA-C-O 111.712 -3.994 . . . . 15.0 107.123 -179.108 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.5 t -118.57 149.92 40.54 Favored 'General case' 0 N--CA 1.504 2.265 1 O-C-N 130.389 4.806 . . . . 15.0 108.304 -179.368 -161.282 -141.844 -100.151 102.698 2.076 103.521 -68.91 -76.369 2 2 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -138.73 143.23 38.97 Favored 'General case' 0 N--CA 1.515 2.792 0 O-C-N 128.186 3.429 . . . . 15.0 105.629 178.751 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 97.2 m -134.45 153.26 52.01 Favored 'General case' 0 N--CA 1.503 2.186 1 O-C-N 130.804 5.065 . . . . 15.0 110.884 -177.738 -69.157 -82.519 110.127 108.138 2.025 102.156 -97.308 -47.975 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.2 p -85.31 145.98 27.25 Favored 'General case' 0 N--CA 1.508 2.442 0 O-C-N 126.003 2.064 . . . . 15.0 107.994 176.684 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.23 33.62 0.24 Allowed 'General case' 0 C--O 1.283 2.854 0 O-C-N 124.927 1.392 . . . . 15.0 112.647 -178.641 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.1 p -101.57 167.62 10.01 Favored 'General case' 0 C--O 1.277 2.505 0 C-N-CA 128.039 2.536 . . . . 15.0 109.527 178.154 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 46.8 tpp -124.9 118.74 25.64 Favored Pre-proline 0 N--CA 1.535 3.818 0 CA-C-O 113.996 -2.907 . . . . 15.0 111.495 177.853 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -68.65 156.86 89.27 Favored 'Cis proline' 0 C--O 1.281 2.655 0 CA-C-N 123.421 2.257 . . . . 15.0 110.566 -4.049 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -72.97 159.63 47.6 Favored 'Trans proline' 0 N--CA 1.512 2.584 0 C-N-CA 122.486 2.124 . . . . 15.0 107.458 -177.736 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.5 110.18 14.17 Favored 'General case' 0 N--CA 1.513 2.721 0 O-C-N 126.681 2.488 . . . . 15.0 105.217 176.311 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.4 m -121.6 151.83 39.95 Favored 'General case' 0 N--CA 1.515 2.823 0 N-CA-C 117.549 2.426 . . . . 15.0 117.549 -174.127 -47.975 -97.308 110.127 102.156 2.025 108.138 -82.519 -69.157 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.9 p -145.13 -174.43 4.36 Favored 'General case' 0 N--CA 1.534 3.77 0 CA-C-O 115.749 -2.072 . . . . 15.0 113.922 -179.413 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . 0.272 4.8 t -131.29 -129.51 0.2 Allowed 'General case' 1 C--O 1.313 4.402 1 N-CA-C 130.937 7.384 . . . . 15.0 130.937 -177.086 -157.497 66.003 120.606 109.319 1.98 99.406 82.248 -176.861 4 2 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.378 6.0 pt-20 -137.31 -168.46 2.31 Favored 'General case' 0 C--O 1.29 3.198 3 O-C-N 108.747 -8.72 . . . . 15.0 124.292 -171.919 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.78 129.61 36.84 Favored 'General case' 0 C--O 1.272 2.275 3 C-N-CA 139.728 7.211 . . . . 15.0 128.247 -170.964 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -138.91 152.29 47.63 Favored 'General case' 0 C--O 1.279 2.608 1 CA-C-O 110.44 -4.6 . . . . 15.0 111.274 -175.214 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . 0.354 15.2 pt -97.05 128.89 47.82 Favored 'Isoleucine or valine' 0 N--CA 1.538 3.953 0 O-C-N 127.579 3.05 . . . . 15.0 111.984 179.978 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 77.09 -34.88 0.22 Allowed 'General case' 1 C--O 1.317 4.656 0 N-CA-C 121.786 3.995 . . . . 15.0 121.786 -178.163 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 m -148.79 153.43 38.13 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 119.625 -1.922 . . . . 15.0 114.481 -175.835 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 81.1 m -99.5 176.04 5.63 Favored 'General case' 0 N--CA 1.513 2.723 0 CA-C-O 116.502 -1.713 . . . . 15.0 108.949 176.823 -60.281 108.202 62.354 116.302 1.92 117.041 83.456 179.727 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 20.0 p80 -66.89 154.1 41.83 Favored 'General case' 0 N--CA 1.53 3.54 1 CA-C-O 129.187 4.327 . . . . 15.0 107.27 178.186 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 59.5 p -52.2 -35.1 48.25 Favored 'General case' 0 C--O 1.286 2.977 0 CA-C-N 109.074 -3.694 . . . . 15.0 109.025 -179.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.81 -15.81 55.4 Favored 'General case' 0 C--O 1.286 2.989 0 CA-C-O 116.48 -1.724 . . . . 15.0 112.875 -178.341 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.3 t -60.14 132.15 53.03 Favored 'General case' 0 N--CA 1.508 2.452 0 O-C-N 125.836 1.96 . . . . 15.0 114.097 -179.904 -168.911 76.608 106.54 104.817 1.992 110.164 72.962 -160.34 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' LYS . . . . . 0.579 ' N ' ' OD2' ' A' ' 51' ' ' ASP . 1.4 mppt? -99.29 -26.49 14.15 Favored 'General case' 0 C--O 1.279 2.61 0 C-N-CA 124.915 1.286 . . . . 15.0 113.953 -178.74 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 39.9 t -139.8 110.2 6.62 Favored 'General case' 0 N--CA 1.519 2.997 0 CA-C-N 123.72 2.964 . . . . 15.0 103.465 177.588 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 51.1 t -113.81 128.95 56.62 Favored 'General case' 0 C--O 1.268 2.039 1 CA-C-O 111.467 -4.111 . . . . 15.0 111.461 -172.934 179.727 83.456 62.354 117.041 1.92 116.302 108.202 -60.281 2 2 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -119.57 129.0 54.43 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 128.096 3.372 . . . . 15.0 113.05 -177.337 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.9 m -126.3 162.02 26.44 Favored 'General case' 0 C--O 1.287 3.055 1 CA-C-O 129.241 4.353 . . . . 15.0 112.986 -178.098 -49.805 -97.614 112.502 106.039 2.008 104.478 -89.778 -55.593 2 2 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 40.3 p -87.29 140.55 29.42 Favored 'General case' 0 CA--C 1.574 1.866 0 CA-C-N 110.563 -3.017 . . . . 15.0 105.88 178.779 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -79.6 84.4 5.45 Favored 'General case' 0 N--CA 1.506 2.343 0 N-CA-C 102.106 -3.294 . . . . 15.0 102.106 178.663 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 p -165.75 168.65 15.9 Favored 'General case' 0 C--O 1.286 2.985 0 CA-C-O 114.96 -2.448 . . . . 15.0 108.724 179.225 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -125.98 113.96 24.28 Favored Pre-proline 0 N--CA 1.505 2.281 0 O-C-N 127.925 3.266 . . . . 15.0 110.11 179.495 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -83.81 144.26 46.74 Favored 'Cis proline' 0 C--O 1.286 2.878 0 N-CA-C 108.155 -1.517 . . . . 15.0 108.155 0.108 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -75.31 143.81 31.08 Favored Glycine 0 CA--C 1.575 3.836 0 O-C-N 127.656 3.098 . . . . 15.0 108.368 179.06 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -106.66 116.08 31.31 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 104.678 -2.341 . . . . 15.0 104.678 179.178 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 60.1 m -109.53 154.41 22.75 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 126.636 2.46 . . . . 15.0 116.11 -177.43 -55.593 -89.778 112.502 104.478 2.008 106.039 -97.614 -49.805 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.77 147.86 39.76 Favored 'General case' 0 C--O 1.264 1.867 0 O-C-N 125.736 1.897 . . . . 15.0 111.477 177.189 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.7 t -93.04 133.34 36.28 Favored 'General case' 0 C--O 1.297 3.574 0 O-C-N 127.685 3.116 . . . . 15.0 108.081 176.43 -160.34 72.962 106.54 110.164 1.992 104.817 76.608 -168.911 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.1 mt -101.0 -8.91 21.94 Favored 'General case' 0 C--N 1.375 1.697 0 CA-C-N 112.602 -2.09 . . . . 15.0 112.903 -179.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ASP . . . . . 0.579 ' OD2' ' N ' ' A' ' 35' ' ' LYS . 80.3 m-20 -53.53 152.81 4.67 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 125.814 1.946 . . . . 15.0 105.91 178.966 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.2 t -133.23 134.84 44.52 Favored 'General case' 0 C--O 1.276 2.469 0 N-CA-C 105.276 -2.12 . . . . 15.0 105.276 -176.75 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 -131.56 -169.86 2.27 Favored 'General case' 0 N--CA 1.507 2.416 0 CA-C-O 115.251 -2.309 . . . . 15.0 105.018 -179.248 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -116.67 16.7 15.39 Favored 'General case' 0 CA--C 1.568 1.656 0 O-C-N 125.954 2.034 . . . . 15.0 106.442 178.806 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -149.05 161.18 42.46 Favored 'General case' 0 C--O 1.277 2.536 0 O-C-N 126.326 2.266 . . . . 15.0 110.277 177.244 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 51.0 m -103.85 144.18 31.85 Favored 'General case' 0 N--CA 1.508 2.451 0 CA-C-N 113.569 -1.651 . . . . 15.0 110.175 175.573 -76.369 -68.91 -100.151 103.521 2.076 102.698 -141.844 -161.282 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -75.47 173.05 11.47 Favored 'General case' 0 N--CA 1.523 3.175 0 N-CA-C 104.841 -2.281 . . . . 15.0 104.841 174.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -87.1 156.11 54.8 Favored Pre-proline 0 C--O 1.286 3.008 0 CA-C-O 124.964 2.316 . . . . 15.0 108.826 176.114 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -52.26 149.26 22.84 Favored 'Trans proline' 0 C--O 1.263 1.74 1 C-N-CA 125.796 4.331 . . . . 15.0 110.779 179.799 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 64.9 m -70.91 123.69 22.6 Favored 'General case' 0 N--CA 1.518 2.966 1 CA-C-O 130.413 4.911 . . . . 15.0 108.479 177.065 -57.553 -63.941 82.433 118.3 1.944 110.911 115.032 57.145 2 2 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' LYS . . . . . 0.418 ' CE ' ' OH ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -87.4 103.65 15.69 Favored 'General case' 0 C--O 1.274 2.388 1 CA-C-N 108.372 -4.013 . . . . 15.0 103.284 -179.261 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . . . -179.14 -64.08 0.01 OUTLIER 'General case' 0 N--CA 1.515 2.796 0 N-CA-C 102.777 -3.046 . . . . 15.0 102.777 -177.846 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.285 2.942 0 CA-C-N 111.5 -2.591 . . . . 15.0 105.871 175.898 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' TYR . . . . . 0.752 ' OH ' ' HE2' ' A' ' 61' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.501 2.088 0 N-CA-C 106.547 -1.649 . . . . 15.0 106.547 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -94.31 -19.19 20.89 Favored 'General case' 0 C--O 1.278 2.574 0 O-C-N 126.535 2.397 . . . . 15.0 110.726 179.526 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LYS . . . . . 0.578 ' HB2' ' CE1' ' A' ' 3' ' ' TYR . 72.6 mttt -63.05 147.59 94.16 Favored Pre-proline 0 C--O 1.276 2.493 0 O-C-N 125.311 1.632 . . . . 15.0 109.98 179.889 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -89.14 125.12 1.51 Allowed 'Trans proline' 0 C--O 1.279 2.563 0 O-C-N 127.13 3.174 . . . . 15.0 113.371 -177.095 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 24.9 p -146.16 173.93 11.77 Favored 'General case' 0 C--O 1.28 2.677 0 C-N-CA 130.262 3.425 . . . . 15.0 105.647 -179.736 57.145 115.032 82.433 110.911 1.944 118.3 -63.941 -57.553 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 44.3 t -160.07 127.6 4.59 Favored 'General case' 0 C--O 1.289 3.146 0 CA-C-O 114.228 -2.796 . . . . 15.0 108.888 177.636 -176.861 82.248 120.606 99.406 1.98 109.319 66.003 -157.497 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -86.84 -46.12 10.24 Favored 'General case' 0 C--O 1.281 2.712 0 O-C-N 126.934 2.646 . . . . 15.0 112.687 179.575 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.3 mt -112.5 109.56 19.21 Favored 'General case' 0 N--CA 1.524 3.274 0 CA-C-O 111.712 -3.994 . . . . 15.0 107.123 -179.108 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.5 t -118.57 149.92 40.54 Favored 'General case' 0 N--CA 1.504 2.265 1 O-C-N 130.389 4.806 . . . . 15.0 108.304 -179.368 -161.282 -141.844 -100.151 102.698 2.076 103.521 -68.91 -76.369 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -138.73 143.23 38.97 Favored 'General case' 0 N--CA 1.515 2.792 0 O-C-N 128.186 3.429 . . . . 15.0 105.629 178.751 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 97.2 m -134.45 153.26 52.01 Favored 'General case' 0 N--CA 1.503 2.186 1 O-C-N 130.804 5.065 . . . . 15.0 110.884 -177.738 -69.157 -82.519 110.127 108.138 2.025 102.156 -97.308 -47.975 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.2 p -85.31 145.98 27.25 Favored 'General case' 0 N--CA 1.508 2.442 0 O-C-N 126.003 2.064 . . . . 15.0 107.994 176.684 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ARG . . . . . 0.42 HH11 ' HG3' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -79.23 33.62 0.24 Allowed 'General case' 0 C--O 1.283 2.854 0 O-C-N 124.927 1.392 . . . . 15.0 112.647 -178.641 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.1 p -101.57 167.62 10.01 Favored 'General case' 0 C--O 1.277 2.505 0 C-N-CA 128.039 2.536 . . . . 15.0 109.527 178.154 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 46.8 tpp -124.9 118.74 25.64 Favored Pre-proline 0 N--CA 1.535 3.818 0 CA-C-O 113.996 -2.907 . . . . 15.0 111.495 177.853 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -68.65 156.86 89.27 Favored 'Cis proline' 0 C--O 1.281 2.655 0 CA-C-N 123.421 2.257 . . . . 15.0 110.566 -4.049 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -72.97 159.63 47.6 Favored 'Trans proline' 0 N--CA 1.512 2.584 0 C-N-CA 122.486 2.124 . . . . 15.0 107.458 -177.736 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.5 110.18 14.17 Favored 'General case' 0 N--CA 1.513 2.721 0 O-C-N 126.681 2.488 . . . . 15.0 105.217 176.311 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.4 m -121.6 151.83 39.95 Favored 'General case' 0 N--CA 1.515 2.823 0 N-CA-C 117.549 2.426 . . . . 15.0 117.549 -174.127 -47.975 -97.308 110.127 102.156 2.025 108.138 -82.519 -69.157 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.9 p -145.13 -174.43 4.36 Favored 'General case' 0 N--CA 1.534 3.77 0 CA-C-O 115.749 -2.072 . . . . 15.0 113.922 -179.413 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . 0.272 4.8 t -131.29 -129.51 0.2 Allowed 'General case' 1 C--O 1.313 4.402 1 N-CA-C 130.937 7.384 . . . . 15.0 130.937 -177.086 -157.497 66.003 120.606 109.319 1.98 99.406 82.248 -176.861 4 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.378 6.0 pt-20 -137.31 -168.46 2.31 Favored 'General case' 0 C--O 1.29 3.198 3 O-C-N 108.747 -8.72 . . . . 15.0 124.292 -171.919 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.78 129.61 36.84 Favored 'General case' 0 C--O 1.272 2.275 3 C-N-CA 139.728 7.211 . . . . 15.0 128.247 -170.964 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -138.91 152.29 47.63 Favored 'General case' 0 C--O 1.279 2.608 1 CA-C-O 110.44 -4.6 . . . . 15.0 111.274 -175.214 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ILE . . . . . 0.432 ' O ' ' HB2' ' A' ' 28' ' ' ASN 0.354 15.2 pt -97.05 128.89 47.82 Favored 'Isoleucine or valine' 0 N--CA 1.538 3.953 0 O-C-N 127.579 3.05 . . . . 15.0 111.984 179.978 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 27' ' ' ILE . 84.1 m-20 77.09 -34.88 0.22 Allowed 'General case' 1 C--O 1.317 4.656 0 N-CA-C 121.786 3.995 . . . . 15.0 121.786 -178.163 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 m -148.79 153.43 38.13 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 119.625 -1.922 . . . . 15.0 114.481 -175.835 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 81.1 m -99.5 176.04 5.63 Favored 'General case' 0 N--CA 1.513 2.723 0 CA-C-O 116.502 -1.713 . . . . 15.0 108.949 176.823 -60.281 108.202 62.354 116.302 1.92 117.041 83.456 179.727 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 20.0 p80 -66.89 154.1 41.83 Favored 'General case' 0 N--CA 1.53 3.54 1 CA-C-O 129.187 4.327 . . . . 15.0 107.27 178.186 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 59.5 p -52.2 -35.1 48.25 Favored 'General case' 0 C--O 1.286 2.977 0 CA-C-N 109.074 -3.694 . . . . 15.0 109.025 -179.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.81 -15.81 55.4 Favored 'General case' 0 C--O 1.286 2.989 0 CA-C-O 116.48 -1.724 . . . . 15.0 112.875 -178.341 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.3 t -60.14 132.15 53.03 Favored 'General case' 0 N--CA 1.508 2.452 0 O-C-N 125.836 1.96 . . . . 15.0 114.097 -179.904 -168.911 76.608 106.54 104.817 1.992 110.164 72.962 -160.34 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -99.29 -26.49 14.15 Favored 'General case' 0 C--O 1.279 2.61 0 C-N-CA 124.915 1.286 . . . . 15.0 113.953 -178.74 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 39.9 t -139.8 110.2 6.62 Favored 'General case' 0 N--CA 1.519 2.997 0 CA-C-N 123.72 2.964 . . . . 15.0 103.465 177.588 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 51.1 t -113.81 128.95 56.62 Favored 'General case' 0 C--O 1.268 2.039 1 CA-C-O 111.467 -4.111 . . . . 15.0 111.461 -172.934 179.727 83.456 62.354 117.041 1.92 116.302 108.202 -60.281 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -119.57 129.0 54.43 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 128.096 3.372 . . . . 15.0 113.05 -177.337 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.9 m -126.3 162.02 26.44 Favored 'General case' 0 C--O 1.287 3.055 1 CA-C-O 129.241 4.353 . . . . 15.0 112.986 -178.098 -49.805 -97.614 112.502 106.039 2.008 104.478 -89.778 -55.593 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 40.3 p -87.29 140.55 29.42 Favored 'General case' 0 CA--C 1.574 1.866 0 CA-C-N 110.563 -3.017 . . . . 15.0 105.88 178.779 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -79.6 84.4 5.45 Favored 'General case' 0 N--CA 1.506 2.343 0 N-CA-C 102.106 -3.294 . . . . 15.0 102.106 178.663 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 p -165.75 168.65 15.9 Favored 'General case' 0 C--O 1.286 2.985 0 CA-C-O 114.96 -2.448 . . . . 15.0 108.724 179.225 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -125.98 113.96 24.28 Favored Pre-proline 0 N--CA 1.505 2.281 0 O-C-N 127.925 3.266 . . . . 15.0 110.11 179.495 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -83.81 144.26 46.74 Favored 'Cis proline' 0 C--O 1.286 2.878 0 N-CA-C 108.155 -1.517 . . . . 15.0 108.155 0.108 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -75.31 143.81 31.08 Favored Glycine 0 CA--C 1.575 3.836 0 O-C-N 127.656 3.098 . . . . 15.0 108.368 179.06 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -106.66 116.08 31.31 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 104.678 -2.341 . . . . 15.0 104.678 179.178 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 60.1 m -109.53 154.41 22.75 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 126.636 2.46 . . . . 15.0 116.11 -177.43 -55.593 -89.778 112.502 104.478 2.008 106.039 -97.614 -49.805 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.77 147.86 39.76 Favored 'General case' 0 C--O 1.264 1.867 0 O-C-N 125.736 1.897 . . . . 15.0 111.477 177.189 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.7 t -93.04 133.34 36.28 Favored 'General case' 0 C--O 1.297 3.574 0 O-C-N 127.685 3.116 . . . . 15.0 108.081 176.43 -160.34 72.962 106.54 110.164 1.992 104.817 76.608 -168.911 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.1 mt -101.0 -8.91 21.94 Favored 'General case' 0 C--N 1.375 1.697 0 CA-C-N 112.602 -2.09 . . . . 15.0 112.903 -179.83 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -53.53 152.81 4.67 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 125.814 1.946 . . . . 15.0 105.91 178.966 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.2 t -133.23 134.84 44.52 Favored 'General case' 0 C--O 1.276 2.469 0 N-CA-C 105.276 -2.12 . . . . 15.0 105.276 -176.75 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 -131.56 -169.86 2.27 Favored 'General case' 0 N--CA 1.507 2.416 0 CA-C-O 115.251 -2.309 . . . . 15.0 105.018 -179.248 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -116.67 16.7 15.39 Favored 'General case' 0 CA--C 1.568 1.656 0 O-C-N 125.954 2.034 . . . . 15.0 106.442 178.806 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -149.05 161.18 42.46 Favored 'General case' 0 C--O 1.277 2.536 0 O-C-N 126.326 2.266 . . . . 15.0 110.277 177.244 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 51.0 m -103.85 144.18 31.85 Favored 'General case' 0 N--CA 1.508 2.451 0 CA-C-N 113.569 -1.651 . . . . 15.0 110.175 175.573 -76.369 -68.91 -100.151 103.521 2.076 102.698 -141.844 -161.282 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -75.47 173.05 11.47 Favored 'General case' 0 N--CA 1.523 3.175 0 N-CA-C 104.841 -2.281 . . . . 15.0 104.841 174.78 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -87.1 156.11 54.8 Favored Pre-proline 0 C--O 1.286 3.008 0 CA-C-O 124.964 2.316 . . . . 15.0 108.826 176.114 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -52.26 149.26 22.84 Favored 'Trans proline' 0 C--O 1.263 1.74 1 C-N-CA 125.796 4.331 . . . . 15.0 110.779 179.799 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 64.9 m -70.91 123.69 22.6 Favored 'General case' 0 N--CA 1.518 2.966 1 CA-C-O 130.413 4.911 . . . . 15.0 108.479 177.065 -57.553 -63.941 82.433 118.3 1.944 110.911 115.032 57.145 2 2 . 1 . 001 ecloud build full ' A' A ' 61' ' ' LYS . . . . . 0.752 ' HE2' ' OH ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -87.4 103.65 15.69 Favored 'General case' 0 C--O 1.274 2.388 1 CA-C-N 108.372 -4.013 . . . . 15.0 103.284 -179.261 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . . . -179.14 -64.08 0.01 OUTLIER 'General case' 0 N--CA 1.515 2.796 0 N-CA-C 102.777 -3.046 . . . . 15.0 102.777 -177.846 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.285 2.942 0 CA-C-N 111.5 -2.591 . . . . 15.0 105.871 175.898 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.752 ' OH ' ' HE2' ' A' ' 61' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.501 2.088 0 N-CA-C 106.547 -1.649 . . . . 15.0 106.547 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -94.31 -19.19 20.89 Favored 'General case' 0 C--O 1.278 2.574 0 O-C-N 126.535 2.397 . . . . 15.0 110.726 179.526 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.578 ' HB2' ' CE1' ' A' ' 3' ' ' TYR . 72.6 mttt -63.05 147.59 94.16 Favored Pre-proline 0 C--O 1.276 2.493 0 O-C-N 125.311 1.632 . . . . 15.0 109.98 179.889 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -89.14 125.12 1.51 Allowed 'Trans proline' 0 C--O 1.279 2.563 0 O-C-N 127.13 3.174 . . . . 15.0 113.371 -177.095 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 24.9 p -146.16 173.93 11.77 Favored 'General case' 0 C--O 1.28 2.677 0 C-N-CA 130.262 3.425 . . . . 15.0 105.647 -179.736 57.145 115.032 82.433 110.911 1.944 118.3 -63.941 -57.553 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 44.3 t -160.07 127.6 4.59 Favored 'General case' 0 C--O 1.289 3.146 0 CA-C-O 114.228 -2.796 . . . . 15.0 108.888 177.636 -176.861 82.248 120.606 99.406 1.98 109.319 66.003 -157.497 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -86.84 -46.12 10.24 Favored 'General case' 0 C--O 1.281 2.712 0 O-C-N 126.934 2.646 . . . . 15.0 112.687 179.575 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.3 mt -112.5 109.56 19.21 Favored 'General case' 0 N--CA 1.524 3.274 0 CA-C-O 111.712 -3.994 . . . . 15.0 107.123 -179.108 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.5 t -118.57 149.92 40.54 Favored 'General case' 0 N--CA 1.504 2.265 1 O-C-N 130.389 4.806 . . . . 15.0 108.304 -179.368 -161.282 -141.844 -100.151 102.698 2.076 103.521 -68.91 -76.369 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -138.73 143.23 38.97 Favored 'General case' 0 N--CA 1.515 2.792 0 O-C-N 128.186 3.429 . . . . 15.0 105.629 178.751 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 97.2 m -134.45 153.26 52.01 Favored 'General case' 0 N--CA 1.503 2.186 1 O-C-N 130.804 5.065 . . . . 15.0 110.884 -177.738 -69.157 -82.519 110.127 108.138 2.025 102.156 -97.308 -47.975 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.2 p -85.31 145.98 27.25 Favored 'General case' 0 N--CA 1.508 2.442 0 O-C-N 126.003 2.064 . . . . 15.0 107.994 176.684 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.42 HH11 ' HG3' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -79.23 33.62 0.24 Allowed 'General case' 0 C--O 1.283 2.854 0 O-C-N 124.927 1.392 . . . . 15.0 112.647 -178.641 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.1 p -101.57 167.62 10.01 Favored 'General case' 0 C--O 1.277 2.505 0 C-N-CA 128.039 2.536 . . . . 15.0 109.527 178.154 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 46.8 tpp -124.9 118.74 25.64 Favored Pre-proline 0 N--CA 1.535 3.818 0 CA-C-O 113.996 -2.907 . . . . 15.0 111.495 177.853 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -68.65 156.86 89.27 Favored 'Cis proline' 0 C--O 1.281 2.655 0 CA-C-N 123.421 2.257 . . . . 15.0 110.566 -4.049 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -72.97 159.63 47.6 Favored 'Trans proline' 0 N--CA 1.512 2.584 0 C-N-CA 122.486 2.124 . . . . 15.0 107.458 -177.736 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.5 110.18 14.17 Favored 'General case' 0 N--CA 1.513 2.721 0 O-C-N 126.681 2.488 . . . . 15.0 105.217 176.311 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.4 m -121.6 151.83 39.95 Favored 'General case' 0 N--CA 1.515 2.823 0 N-CA-C 117.549 2.426 . . . . 15.0 117.549 -174.127 -47.975 -97.308 110.127 102.156 2.025 108.138 -82.519 -69.157 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.9 p -145.13 -174.43 4.36 Favored 'General case' 0 N--CA 1.534 3.77 0 CA-C-O 115.749 -2.072 . . . . 15.0 113.922 -179.413 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . 0.272 4.8 t -131.29 -129.51 0.2 Allowed 'General case' 1 C--O 1.313 4.402 1 N-CA-C 130.937 7.384 . . . . 15.0 130.937 -177.086 -157.497 66.003 120.606 109.319 1.98 99.406 82.248 -176.861 4 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.378 6.0 pt-20 -137.31 -168.46 2.31 Favored 'General case' 0 C--O 1.29 3.198 3 O-C-N 108.747 -8.72 . . . . 15.0 124.292 -171.919 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.78 129.61 36.84 Favored 'General case' 0 C--O 1.272 2.275 3 C-N-CA 139.728 7.211 . . . . 15.0 128.247 -170.964 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -138.91 152.29 47.63 Favored 'General case' 0 C--O 1.279 2.608 1 CA-C-O 110.44 -4.6 . . . . 15.0 111.274 -175.214 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.432 ' O ' ' HB2' ' A' ' 28' ' ' ASN 0.354 15.2 pt -97.05 128.89 47.82 Favored 'Isoleucine or valine' 0 N--CA 1.538 3.953 0 O-C-N 127.579 3.05 . . . . 15.0 111.984 179.978 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 27' ' ' ILE . 84.1 m-20 77.09 -34.88 0.22 Allowed 'General case' 1 C--O 1.317 4.656 0 N-CA-C 121.786 3.995 . . . . 15.0 121.786 -178.163 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 m -148.79 153.43 38.13 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 119.625 -1.922 . . . . 15.0 114.481 -175.835 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 81.1 m -99.5 176.04 5.63 Favored 'General case' 0 N--CA 1.513 2.723 0 CA-C-O 116.502 -1.713 . . . . 15.0 108.949 176.823 -60.281 108.202 62.354 116.302 1.92 117.041 83.456 179.727 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 20.0 p80 -66.89 154.1 41.83 Favored 'General case' 0 N--CA 1.53 3.54 1 CA-C-O 129.187 4.327 . . . . 15.0 107.27 178.186 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 59.5 p -52.2 -35.1 48.25 Favored 'General case' 0 C--O 1.286 2.977 0 CA-C-N 109.074 -3.694 . . . . 15.0 109.025 -179.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.81 -15.81 55.4 Favored 'General case' 0 C--O 1.286 2.989 0 CA-C-O 116.48 -1.724 . . . . 15.0 112.875 -178.341 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.3 t -60.14 132.15 53.03 Favored 'General case' 0 N--CA 1.508 2.452 0 O-C-N 125.836 1.96 . . . . 15.0 114.097 -179.904 -168.911 76.608 106.54 104.817 1.992 110.164 72.962 -160.34 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -99.29 -26.49 14.15 Favored 'General case' 0 C--O 1.279 2.61 0 C-N-CA 124.915 1.286 . . . . 15.0 113.953 -178.74 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 39.9 t -139.8 110.2 6.62 Favored 'General case' 0 N--CA 1.519 2.997 0 CA-C-N 123.72 2.964 . . . . 15.0 103.465 177.588 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 51.1 t -113.81 128.95 56.62 Favored 'General case' 0 C--O 1.268 2.039 1 CA-C-O 111.467 -4.111 . . . . 15.0 111.461 -172.934 179.727 83.456 62.354 117.041 1.92 116.302 108.202 -60.281 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -119.57 129.0 54.43 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 128.096 3.372 . . . . 15.0 113.05 -177.337 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.9 m -126.3 162.02 26.44 Favored 'General case' 0 C--O 1.287 3.055 1 CA-C-O 129.241 4.353 . . . . 15.0 112.986 -178.098 -49.805 -97.614 112.502 106.039 2.008 104.478 -89.778 -55.593 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 40.3 p -87.29 140.55 29.42 Favored 'General case' 0 CA--C 1.574 1.866 0 CA-C-N 110.563 -3.017 . . . . 15.0 105.88 178.779 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -79.6 84.4 5.45 Favored 'General case' 0 N--CA 1.506 2.343 0 N-CA-C 102.106 -3.294 . . . . 15.0 102.106 178.663 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 p -165.75 168.65 15.9 Favored 'General case' 0 C--O 1.286 2.985 0 CA-C-O 114.96 -2.448 . . . . 15.0 108.724 179.225 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -125.98 113.96 24.28 Favored Pre-proline 0 N--CA 1.505 2.281 0 O-C-N 127.925 3.266 . . . . 15.0 110.11 179.495 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -83.81 144.26 46.74 Favored 'Cis proline' 0 C--O 1.286 2.878 0 N-CA-C 108.155 -1.517 . . . . 15.0 108.155 0.108 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -75.31 143.81 31.08 Favored Glycine 0 CA--C 1.575 3.836 0 O-C-N 127.656 3.098 . . . . 15.0 108.368 179.06 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -106.66 116.08 31.31 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 104.678 -2.341 . . . . 15.0 104.678 179.178 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 60.1 m -109.53 154.41 22.75 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 126.636 2.46 . . . . 15.0 116.11 -177.43 -55.593 -89.778 112.502 104.478 2.008 106.039 -97.614 -49.805 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.77 147.86 39.76 Favored 'General case' 0 C--O 1.264 1.867 0 O-C-N 125.736 1.897 . . . . 15.0 111.477 177.189 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.7 t -93.04 133.34 36.28 Favored 'General case' 0 C--O 1.297 3.574 0 O-C-N 127.685 3.116 . . . . 15.0 108.081 176.43 -160.34 72.962 106.54 110.164 1.992 104.817 76.608 -168.911 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.1 mt -101.0 -8.91 21.94 Favored 'General case' 0 C--N 1.375 1.697 0 CA-C-N 112.602 -2.09 . . . . 15.0 112.903 -179.83 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -53.53 152.81 4.67 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 125.814 1.946 . . . . 15.0 105.91 178.966 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.2 t -133.23 134.84 44.52 Favored 'General case' 0 C--O 1.276 2.469 0 N-CA-C 105.276 -2.12 . . . . 15.0 105.276 -176.75 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 -131.56 -169.86 2.27 Favored 'General case' 0 N--CA 1.507 2.416 0 CA-C-O 115.251 -2.309 . . . . 15.0 105.018 -179.248 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -116.67 16.7 15.39 Favored 'General case' 0 CA--C 1.568 1.656 0 O-C-N 125.954 2.034 . . . . 15.0 106.442 178.806 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -149.05 161.18 42.46 Favored 'General case' 0 C--O 1.277 2.536 0 O-C-N 126.326 2.266 . . . . 15.0 110.277 177.244 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 51.0 m -103.85 144.18 31.85 Favored 'General case' 0 N--CA 1.508 2.451 0 CA-C-N 113.569 -1.651 . . . . 15.0 110.175 175.573 -76.369 -68.91 -100.151 103.521 2.076 102.698 -141.844 -161.282 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -75.47 173.05 11.47 Favored 'General case' 0 N--CA 1.523 3.175 0 N-CA-C 104.841 -2.281 . . . . 15.0 104.841 174.78 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -87.1 156.11 54.8 Favored Pre-proline 0 C--O 1.286 3.008 0 CA-C-O 124.964 2.316 . . . . 15.0 108.826 176.114 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -52.26 149.26 22.84 Favored 'Trans proline' 0 C--O 1.263 1.74 1 C-N-CA 125.796 4.331 . . . . 15.0 110.779 179.799 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 64.9 m -70.91 123.69 22.6 Favored 'General case' 0 N--CA 1.518 2.966 1 CA-C-O 130.413 4.911 . . . . 15.0 108.479 177.065 -57.553 -63.941 82.433 118.3 1.944 110.911 115.032 57.145 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.752 ' HE2' ' OH ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -87.4 103.65 15.69 Favored 'General case' 0 C--O 1.274 2.388 1 CA-C-N 108.372 -4.013 . . . . 15.0 103.284 -179.261 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . . . -179.14 -64.08 0.01 OUTLIER 'General case' 0 N--CA 1.515 2.796 0 N-CA-C 102.777 -3.046 . . . . 15.0 102.777 -177.846 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.285 2.942 0 CA-C-N 111.5 -2.591 . . . . 15.0 105.871 175.898 . . . . . . . . 0 0 . 1 stop_ save_