data_1bti_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 1bti _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 ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.246 0.882 0 N-CA-C 101.71 -3.441 . . . . 30.100000000000001 101.71 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -73.76 142.59 32.29 Favored 'Trans proline' 0 N--CA 1.445 -1.361 0 C-N-CA 122.655 2.237 . . . . 28.550000000000001 114.693 179.268 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -27.26 -44.91 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 129.149 2.979 . . . . 24.460000000000001 117.121 173.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 37.6 p90 -72.42 -14.92 61.81 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 117.795 -3.066 . . . . 13.08 113.186 -177.736 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 70.9 m -64.05 -21.75 66.65 Favored 'General case' 0 C--N 1.343 0.303 0 O-C-N 125.065 1.478 . . . . 7.4800000000000004 109.758 173.402 -62.436 -82.368 -82.484 99.656 1.986 105.399 -53.494 -70.146 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 16.2 mt -91.24 -1.88 57.58 Favored 'General case' 0 CA--C 1.509 -0.618 0 O-C-N 119.708 -1.87 . . . . 13.26 113.525 178.238 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -96.05 142.19 24.22 Favored Pre-proline 0 C--O 1.243 0.734 0 O-C-N 118.762 -2.462 . . . . 22.23 108.263 -172.465 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -62.81 156.78 51.57 Favored 'Trans proline' 0 C--O 1.268 1.986 0 CA-C-N 123.544 2.301 . . . . 15.109999999999999 109.247 -169.72 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -68.31 134.76 32.11 Favored 'Trans proline' 0 CA--C 1.509 -0.733 0 C-N-CA 121.822 1.681 . . . . 9.75 109.222 -177.947 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -103.57 117.71 35.05 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 119.828 -1.795 . . . . 16.449999999999999 108.297 -177.136 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 78.1 m -63.84 -45.96 87.18 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-O 122.542 1.163 . . . . 14.51 109.238 174.392 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 90.61 176.34 44.37 Favored Glycine 0 N--CA 1.436 -1.305 0 N-CA-C 109.074 -1.611 . . . . 11.91 109.074 -172.915 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -93.87 -9.97 1.69 Allowed 'Trans proline' 0 C--N 1.317 -1.118 0 C-N-CA 123.357 2.705 . . . . 10.119999999999999 115.054 -171.059 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.9 m -78.52 164.6 24.57 Favored 'General case' 0 N--CA 1.423 -1.805 0 N-CA-C 105.181 -2.155 . . . . 9.9700000000000006 105.181 179.007 -77.473 101.146 96.761 101.644 2.0 103.391 -114.735 64.875 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -117.92 29.44 7.81 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 114.348 1.24 . . . . 25.850000000000001 114.348 -166.785 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.69 166.77 20.73 Favored 'General case' 0 C--N 1.318 -0.785 0 O-C-N 119.774 -1.829 . . . . 9.4900000000000002 107.12 173.053 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.4 mtm180 -120.51 79.13 1.44 Allowed 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 105.798 -1.927 . . . . 10.74 105.798 176.399 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -114.5 134.18 58.28 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.905 0 C-N-CA 115.151 -2.62 . . . . 11.09 111.683 176.308 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.0 mm -88.54 127.23 41.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 106.181 -1.785 . . . . 9.6600000000000001 106.181 -168.006 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.5 mmt85 -135.32 175.74 9.31 Favored 'General case' 0 CA--C 1.498 -1.055 0 N-CA-C 102.458 -3.164 . . . . 6.7800000000000002 102.458 -179.319 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -107.4 145.58 32.76 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 114.858 -1.064 . . . . 5.0800000000000001 113.652 173.934 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -139.42 147.63 41.68 Favored 'General case' 0 N--CA 1.425 -1.709 0 C-N-CA 118.807 -1.157 . . . . 4.3899999999999997 109.044 170.815 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -68.54 138.04 54.82 Favored 'General case' 0 C--O 1.248 1.006 0 CA-C-N 120.514 1.507 . . . . 8.8599999999999994 108.846 178.828 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 31.2 t-20 -114.61 101.7 9.35 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 104.302 -2.481 . . . . 11.59 104.302 -179.734 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.3 -27.7 62.39 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 120.421 -1.424 . . . . 7.9800000000000004 113.224 -178.27 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.5 mttm -76.7 -31.71 57.4 Favored 'General case' 0 C--N 1.364 1.231 0 CA-C-N 120.686 1.585 . . . . 20.870000000000001 114.277 179.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.12 -29.47 21.81 Favored 'General case' 0 C--O 1.245 0.837 0 CA-C-O 124.632 2.158 . . . . 5.6299999999999999 112.013 176.642 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.98 23.67 61.2 Favored Glycine 0 N--CA 1.435 -1.398 0 CA-C-N 113.579 -1.646 . . . . 4.79 111.285 -174.833 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 tp -142.97 164.36 30.29 Favored 'General case' 0 CA--C 1.503 -0.845 0 N-CA-C 103.271 -2.862 . . . . 8.8200000000000003 103.271 -174.018 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.6 m -88.44 138.12 31.71 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 119.652 1.115 . . . . 4.4199999999999999 113.31 174.718 -64.494 -129.692 -82.845 103.009 1.967 103.585 -101.869 -176.439 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -129.51 163.23 26.38 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 106.578 -1.638 . . . . 12.74 106.578 -178.24 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.5 p -82.79 163.55 21.17 Favored 'General case' 0 C--O 1.245 0.82 0 CA-C-O 123.15 1.452 . . . . 7.2800000000000002 108.104 -174.032 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -158.08 170.55 22.05 Favored 'General case' 0 N--CA 1.437 -1.09 0 N-CA-C 102.399 -3.186 . . . . 5.4699999999999998 102.399 174.498 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.7 t -104.66 113.46 41.72 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.587 0 O-C-N 124.942 1.402 . . . . 5.1200000000000001 108.688 -178.335 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -86.36 133.39 33.8 Favored 'General case' 0 C--N 1.31 -1.11 0 C-N-CA 125.33 1.452 . . . . 6.5700000000000003 108.547 173.142 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -79.21 -8.92 87.5 Favored Glycine 0 CA--C 1.497 -1.066 0 O-C-N 120.378 -1.451 . . . . 4.9000000000000004 109.881 -176.223 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.89 -15.61 33.86 Favored Glycine 0 N--CA 1.434 -1.442 0 O-C-N 117.754 -3.203 . . . . 3.8700000000000001 111.271 173.415 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.7 p -141.02 159.52 42.04 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 122.713 3.256 . . . . 7.4400000000000004 108.251 171.645 64.875 -114.735 96.761 103.391 2.0 101.644 101.146 -77.473 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 45.34 66.76 0.84 Allowed 'General case' 0 C--O 1.22 -0.483 0 CA-C-O 126.829 3.204 . . . . 10.119999999999999 116.069 -177.148 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.11 128.26 36.32 Favored 'General case' 0 C--O 1.238 0.466 1 CA-C-N 104.823 -5.626 . . . . 9.6699999999999999 109.649 174.16 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.04 -177.26 5.7 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 106.075 -1.824 . . . . 14.640000000000001 106.075 169.048 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 72.1 mtm180 -73.87 -31.23 63.05 Favored 'General case' 0 C--N 1.315 -0.912 0 O-C-N 117.313 -3.367 . . . . 19.18 117.545 -174.74 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -84.91 70.96 10.95 Favored 'General case' 0 N--CA 1.436 -1.135 0 N-CA-C 104.612 -2.366 . . . . 5.0599999999999996 104.612 -178.769 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -157.28 109.79 2.46 Favored 'General case' 0 N--CA 1.41 -2.471 0 N-CA-C 101.148 -3.649 . . . . 9.3800000000000008 101.148 -173.326 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -131.98 153.26 50.51 Favored 'General case' 0 C--N 1.369 1.425 0 CA-C-O 125.346 2.498 . . . . 8.4299999999999997 109.834 -174.255 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 44.4 mttp -99.73 11.46 39.17 Favored 'General case' 0 C--N 1.289 -2.063 0 O-C-N 118.869 -2.394 . . . . 21.489999999999998 116.315 -178.141 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 96.3 p -157.18 160.32 38.63 Favored 'General case' 0 C--O 1.244 0.776 0 CA-C-N 120.218 1.372 . . . . 11.74 107.52 168.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.22 -38.74 78.7 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 121.396 1.907 . . . . 5.71 111.156 -177.344 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -72.49 -33.95 67.33 Favored 'General case' 0 N--CA 1.428 -1.571 0 CA-C-O 114.232 -2.794 . . . . 28.23 114.435 177.794 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -60.24 -42.07 94.49 Favored 'General case' 0 CA--C 1.503 -0.829 0 CA-C-N 125.823 3.919 . . . . 26.449999999999999 104.4 176.121 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 41.8 t -58.92 -54.0 52.09 Favored 'General case' 0 C--O 1.248 1.019 0 CA-C-O 121.571 0.701 . . . . 7.6900000000000004 111.37 -178.573 -176.439 -101.869 -82.845 103.585 1.967 103.009 -129.692 -64.494 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 82.1 mmm -66.89 -37.47 84.45 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-O 115.157 -2.354 . . . . 8.9100000000000001 114.433 178.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -59.08 -25.93 64.21 Favored 'General case' 0 C--N 1.344 0.352 0 CA-C-N 125.64 3.836 . . . . 12.06 111.91 173.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 52.2 m -91.61 -53.43 4.31 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-N 118.76 0.709 . . . . 14.66 110.552 -178.519 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 91.5 m -93.92 -1.38 54.79 Favored 'General case' 0 N--CA 1.439 -0.982 0 N-CA-C 117.401 2.371 . . . . 10.83 117.401 -176.787 -70.146 -53.494 -82.484 105.399 1.986 99.656 -82.368 -62.436 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -81.46 174.34 54.3 Favored Glycine 0 CA--C 1.539 1.538 0 CA-C-O 124.371 2.095 . . . . 19.559999999999999 115.26 178.144 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -98.61 -134.81 8.58 Favored Glycine 0 CA--C 1.532 1.112 0 O-C-N 119.855 -1.968 . . . . 25.140000000000001 112.328 -177.365 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.209 -1.055 0 CA-C-O 115.244 -2.313 . . . . 30.18 110.514 179.133 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 400' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 401' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 402' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 403' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 404' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 405' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 406' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 407' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 408' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 409' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 410' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 411' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 412' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 413' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 414' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 415' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 416' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 417' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 418' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 419' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 420' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 421' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 422' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 423' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 424' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 425' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 426' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 427' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 428' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 429' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.246 0.882 0 N-CA-C 101.71 -3.441 . . . . 30.1 101.71 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' PRO . . . . . 0.523 ' HD2' ' SG ' ' A' ' 5' ' ' CYS . 4.5 Cg_exo -73.76 142.59 32.29 Favored 'Trans proline' 0 N--CA 1.445 -1.361 0 C-N-CA 122.655 2.237 . . . . 28.55 114.693 179.268 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -27.26 -44.91 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 129.149 2.979 . . . . 24.46 117.121 173.921 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' PHE . . . . . 0.466 ' CE1' ' HB2' ' A' ' 2' ' ' PRO . 37.6 p90 -72.42 -14.92 61.81 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 117.795 -3.066 . . . . 13.08 113.186 -177.736 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' CYS . . . . . 0.523 ' SG ' ' HD2' ' A' ' 2' ' ' PRO . 70.9 m -64.05 -21.75 66.65 Favored 'General case' 0 C--N 1.343 0.303 0 O-C-N 125.065 1.478 . . . . 7.48 109.758 173.402 -62.436 -82.368 -82.484 99.656 1.986 105.399 -53.494 -70.146 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 16.2 mt -91.24 -1.88 57.58 Favored 'General case' 0 CA--C 1.509 -0.618 0 O-C-N 119.708 -1.87 . . . . 13.26 113.525 178.238 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -96.05 142.19 24.22 Favored Pre-proline 0 C--O 1.243 0.734 0 O-C-N 118.762 -2.462 . . . . 22.23 108.263 -172.465 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -62.81 156.78 51.57 Favored 'Trans proline' 0 C--O 1.268 1.986 0 CA-C-N 123.544 2.301 . . . . 15.11 109.247 -169.72 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' PRO . . . . . 0.418 ' HB2' ' CD2' ' A' ' 33' ' ' PHE . 20.3 Cg_endo -68.31 134.76 32.11 Favored 'Trans proline' 0 CA--C 1.509 -0.733 0 C-N-CA 121.822 1.681 . . . . 9.75 109.222 -177.947 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -103.57 117.71 35.05 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 119.828 -1.795 . . . . 16.45 108.297 -177.136 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 78.1 m -63.84 -45.96 87.18 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-O 122.542 1.163 . . . . 14.51 109.238 174.392 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 90.61 176.34 44.37 Favored Glycine 0 N--CA 1.436 -1.305 0 N-CA-C 109.074 -1.611 . . . . 11.91 109.074 -172.915 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -93.87 -9.97 1.69 Allowed 'Trans proline' 0 C--N 1.317 -1.118 0 C-N-CA 123.357 2.705 . . . . 10.12 115.054 -171.059 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.9 m -78.52 164.6 24.57 Favored 'General case' 0 N--CA 1.423 -1.805 0 N-CA-C 105.181 -2.155 . . . . 9.97 105.181 179.007 -77.473 101.146 96.761 101.644 2.0 103.391 -114.735 64.875 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -117.92 29.44 7.81 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 114.348 1.24 . . . . 25.85 114.348 -166.785 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.69 166.77 20.73 Favored 'General case' 0 C--N 1.318 -0.785 0 O-C-N 119.774 -1.829 . . . . 9.49 107.12 173.053 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.4 mtm180 -120.51 79.13 1.44 Allowed 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 105.798 -1.927 . . . . 10.74 105.798 176.399 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ILE . . . . . 0.664 HD11 ' NE ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -114.5 134.18 58.28 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.905 0 C-N-CA 115.151 -2.62 . . . . 11.09 111.683 176.308 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.0 mm -88.54 127.23 41.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 106.181 -1.785 . . . . 9.66 106.181 -168.006 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ARG . . . . . 0.664 ' NE ' HD11 ' A' ' 18' ' ' ILE . 27.5 mmt85 -135.32 175.74 9.31 Favored 'General case' 0 CA--C 1.498 -1.055 0 N-CA-C 102.458 -3.164 . . . . 6.78 102.458 -179.319 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -107.4 145.58 32.76 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 114.858 -1.064 . . . . 5.08 113.652 173.934 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -139.42 147.63 41.68 Favored 'General case' 0 N--CA 1.425 -1.709 0 C-N-CA 118.807 -1.157 . . . . 4.39 109.044 170.815 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -68.54 138.04 54.82 Favored 'General case' 0 C--O 1.248 1.006 0 CA-C-N 120.514 1.507 . . . . 8.86 108.846 178.828 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 31.2 t-20 -114.61 101.7 9.35 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 104.302 -2.481 . . . . 11.59 104.302 -179.734 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.3 -27.7 62.39 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 120.421 -1.424 . . . . 7.98 113.224 -178.27 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.5 mttm -76.7 -31.71 57.4 Favored 'General case' 0 C--N 1.364 1.231 0 CA-C-N 120.686 1.585 . . . . 20.87 114.277 179.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.12 -29.47 21.81 Favored 'General case' 0 C--O 1.245 0.837 0 CA-C-O 124.632 2.158 . . . . 5.63 112.013 176.642 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.98 23.67 61.2 Favored Glycine 0 N--CA 1.435 -1.398 0 CA-C-N 113.579 -1.646 . . . . 4.79 111.285 -174.833 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 tp -142.97 164.36 30.29 Favored 'General case' 0 CA--C 1.503 -0.845 0 N-CA-C 103.271 -2.862 . . . . 8.82 103.271 -174.018 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.6 m -88.44 138.12 31.71 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 119.652 1.115 . . . . 4.42 113.31 174.718 -64.494 -129.692 -82.845 103.009 1.967 103.585 -101.869 -176.439 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -129.51 163.23 26.38 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 106.578 -1.638 . . . . 12.74 106.578 -178.24 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.5 p -82.79 163.55 21.17 Favored 'General case' 0 C--O 1.245 0.82 0 CA-C-O 123.15 1.452 . . . . 7.28 108.104 -174.032 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' PHE . . . . . 0.418 ' CD2' ' HB2' ' A' ' 9' ' ' PRO . 14.3 p90 -158.08 170.55 22.05 Favored 'General case' 0 N--CA 1.437 -1.09 0 N-CA-C 102.399 -3.186 . . . . 5.47 102.399 174.498 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.7 t -104.66 113.46 41.72 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.587 0 O-C-N 124.942 1.402 . . . . 5.12 108.688 -178.335 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -86.36 133.39 33.8 Favored 'General case' 0 C--N 1.31 -1.11 0 C-N-CA 125.33 1.452 . . . . 6.57 108.547 173.142 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -79.21 -8.92 87.5 Favored Glycine 0 CA--C 1.497 -1.066 0 O-C-N 120.378 -1.451 . . . . 4.9 109.881 -176.223 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.89 -15.61 33.86 Favored Glycine 0 N--CA 1.434 -1.442 0 O-C-N 117.754 -3.203 . . . . 3.87 111.271 173.415 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.7 p -141.02 159.52 42.04 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 122.713 3.256 . . . . 7.44 108.251 171.645 64.875 -114.735 96.761 103.391 2.0 101.644 101.146 -77.473 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 45.34 66.76 0.84 Allowed 'General case' 0 C--O 1.22 -0.483 0 CA-C-O 126.829 3.204 . . . . 17.73 116.069 -177.148 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.11 128.26 36.32 Favored 'General case' 0 C--O 1.238 0.466 1 CA-C-N 104.823 -5.626 . . . . 9.67 109.649 174.16 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.04 -177.26 5.7 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 106.075 -1.824 . . . . 14.64 106.075 169.048 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 72.1 mtm180 -73.87 -31.23 63.05 Favored 'General case' 0 C--N 1.315 -0.912 0 O-C-N 117.313 -3.367 . . . . 19.18 117.545 -174.74 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -84.91 70.96 10.95 Favored 'General case' 0 N--CA 1.436 -1.135 0 N-CA-C 104.612 -2.366 . . . . 5.06 104.612 -178.769 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -157.28 109.79 2.46 Favored 'General case' 0 N--CA 1.41 -2.471 0 N-CA-C 101.148 -3.649 . . . . 9.38 101.148 -173.326 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -131.98 153.26 50.51 Favored 'General case' 0 C--N 1.369 1.425 0 CA-C-O 125.346 2.498 . . . . 8.43 109.834 -174.255 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 44.4 mttp -99.73 11.46 39.17 Favored 'General case' 0 C--N 1.289 -2.063 0 O-C-N 118.869 -2.394 . . . . 21.49 116.315 -178.141 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 96.3 p -157.18 160.32 38.63 Favored 'General case' 0 C--O 1.244 0.776 0 CA-C-N 120.218 1.372 . . . . 11.74 107.52 168.995 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.22 -38.74 78.7 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 121.396 1.907 . . . . 5.71 111.156 -177.344 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -72.49 -33.95 67.33 Favored 'General case' 0 N--CA 1.428 -1.571 0 CA-C-O 114.232 -2.794 . . . . 28.23 114.435 177.794 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ASP . . . . . 0.556 ' HA ' ' CZ ' ' A' ' 53' ' ' ARG . 43.7 t0 -60.24 -42.07 94.49 Favored 'General case' 0 CA--C 1.503 -0.829 0 CA-C-N 125.823 3.919 . . . . 26.45 104.4 176.121 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 41.8 t -58.92 -54.0 52.09 Favored 'General case' 0 C--O 1.248 1.019 0 CA-C-O 121.571 0.701 . . . . 7.69 111.37 -178.573 -176.439 -101.869 -82.845 103.585 1.967 103.009 -129.692 -64.494 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 82.1 mmm -66.89 -37.47 84.45 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-O 115.157 -2.354 . . . . 8.91 114.433 178.765 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ARG . . . . . 0.556 ' CZ ' ' HA ' ' A' ' 50' ' ' ASP . 3.8 mtp180 -59.08 -25.93 64.21 Favored 'General case' 0 C--N 1.344 0.352 0 CA-C-N 125.64 3.836 . . . . 12.06 111.91 173.912 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 52.2 m -91.61 -53.43 4.31 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-N 118.76 0.709 . . . . 14.66 110.552 -178.519 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 91.5 m -93.92 -1.38 54.79 Favored 'General case' 0 N--CA 1.439 -0.982 0 N-CA-C 117.401 2.371 . . . . 10.83 117.401 -176.787 -70.146 -53.494 -82.484 105.399 1.986 99.656 -82.368 -62.436 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -81.46 174.34 54.3 Favored Glycine 0 CA--C 1.539 1.538 0 CA-C-O 124.371 2.095 . . . . 19.56 115.26 178.144 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -98.61 -134.81 8.58 Favored Glycine 0 CA--C 1.532 1.112 0 O-C-N 119.855 -1.968 . . . . 25.14 112.328 -177.365 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.209 -1.055 0 CA-C-O 115.244 -2.313 . . . . 30.18 110.514 179.133 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 400' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 401' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 402' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 403' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 404' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 405' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 406' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 407' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 408' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 409' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 410' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 411' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 412' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 413' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 414' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 415' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 416' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 417' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 418' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 419' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 420' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 421' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 422' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 423' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 424' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 425' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 426' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 427' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 428' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 429' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.246 0.882 0 N-CA-C 101.71 -3.441 . . . . 30.1 101.71 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.523 ' HD2' ' SG ' ' A' ' 5' ' ' CYS . 4.5 Cg_exo -73.76 142.59 32.29 Favored 'Trans proline' 0 N--CA 1.445 -1.361 0 C-N-CA 122.655 2.237 . . . . 28.55 114.693 179.268 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -27.26 -44.91 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 129.149 2.979 . . . . 24.46 117.121 173.921 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.466 ' CE1' ' HB2' ' A' ' 2' ' ' PRO . 37.6 p90 -72.42 -14.92 61.81 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 117.795 -3.066 . . . . 13.08 113.186 -177.736 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.523 ' SG ' ' HD2' ' A' ' 2' ' ' PRO . 70.9 m -64.05 -21.75 66.65 Favored 'General case' 0 C--N 1.343 0.303 0 O-C-N 125.065 1.478 . . . . 7.48 109.758 173.402 -62.436 -82.368 -82.484 99.656 1.986 105.399 -53.494 -70.146 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 16.2 mt -91.24 -1.88 57.58 Favored 'General case' 0 CA--C 1.509 -0.618 0 O-C-N 119.708 -1.87 . . . . 13.26 113.525 178.238 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -96.05 142.19 24.22 Favored Pre-proline 0 C--O 1.243 0.734 0 O-C-N 118.762 -2.462 . . . . 22.23 108.263 -172.465 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -62.81 156.78 51.57 Favored 'Trans proline' 0 C--O 1.268 1.986 0 CA-C-N 123.544 2.301 . . . . 15.11 109.247 -169.72 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.418 ' HB2' ' CD2' ' A' ' 33' ' ' PHE . 20.3 Cg_endo -68.31 134.76 32.11 Favored 'Trans proline' 0 CA--C 1.509 -0.733 0 C-N-CA 121.822 1.681 . . . . 9.75 109.222 -177.947 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -103.57 117.71 35.05 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 119.828 -1.795 . . . . 16.45 108.297 -177.136 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 78.1 m -63.84 -45.96 87.18 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-O 122.542 1.163 . . . . 14.51 109.238 174.392 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 90.61 176.34 44.37 Favored Glycine 0 N--CA 1.436 -1.305 0 N-CA-C 109.074 -1.611 . . . . 11.91 109.074 -172.915 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -93.87 -9.97 1.69 Allowed 'Trans proline' 0 C--N 1.317 -1.118 0 C-N-CA 123.357 2.705 . . . . 10.12 115.054 -171.059 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.9 m -78.52 164.6 24.57 Favored 'General case' 0 N--CA 1.423 -1.805 0 N-CA-C 105.181 -2.155 . . . . 9.97 105.181 179.007 -77.473 101.146 96.761 101.644 2.0 103.391 -114.735 64.875 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -117.92 29.44 7.81 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 114.348 1.24 . . . . 25.85 114.348 -166.785 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.69 166.77 20.73 Favored 'General case' 0 C--N 1.318 -0.785 0 O-C-N 119.774 -1.829 . . . . 9.49 107.12 173.053 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.4 mtm180 -120.51 79.13 1.44 Allowed 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 105.798 -1.927 . . . . 10.74 105.798 176.399 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.664 HD11 ' NE ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -114.5 134.18 58.28 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.905 0 C-N-CA 115.151 -2.62 . . . . 11.09 111.683 176.308 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.0 mm -88.54 127.23 41.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 106.181 -1.785 . . . . 9.66 106.181 -168.006 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.664 ' NE ' HD11 ' A' ' 18' ' ' ILE . 27.5 mmt85 -135.32 175.74 9.31 Favored 'General case' 0 CA--C 1.498 -1.055 0 N-CA-C 102.458 -3.164 . . . . 6.78 102.458 -179.319 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -107.4 145.58 32.76 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 114.858 -1.064 . . . . 5.08 113.652 173.934 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -139.42 147.63 41.68 Favored 'General case' 0 N--CA 1.425 -1.709 0 C-N-CA 118.807 -1.157 . . . . 4.39 109.044 170.815 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -68.54 138.04 54.82 Favored 'General case' 0 C--O 1.248 1.006 0 CA-C-N 120.514 1.507 . . . . 8.86 108.846 178.828 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 31.2 t-20 -114.61 101.7 9.35 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 104.302 -2.481 . . . . 11.59 104.302 -179.734 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.3 -27.7 62.39 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 120.421 -1.424 . . . . 7.98 113.224 -178.27 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.5 mttm -76.7 -31.71 57.4 Favored 'General case' 0 C--N 1.364 1.231 0 CA-C-N 120.686 1.585 . . . . 20.87 114.277 179.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.12 -29.47 21.81 Favored 'General case' 0 C--O 1.245 0.837 0 CA-C-O 124.632 2.158 . . . . 5.63 112.013 176.642 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.98 23.67 61.2 Favored Glycine 0 N--CA 1.435 -1.398 0 CA-C-N 113.579 -1.646 . . . . 4.79 111.285 -174.833 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 tp -142.97 164.36 30.29 Favored 'General case' 0 CA--C 1.503 -0.845 0 N-CA-C 103.271 -2.862 . . . . 8.82 103.271 -174.018 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.6 m -88.44 138.12 31.71 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 119.652 1.115 . . . . 4.42 113.31 174.718 -64.494 -129.692 -82.845 103.009 1.967 103.585 -101.869 -176.439 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -129.51 163.23 26.38 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 106.578 -1.638 . . . . 12.74 106.578 -178.24 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.5 p -82.79 163.55 21.17 Favored 'General case' 0 C--O 1.245 0.82 0 CA-C-O 123.15 1.452 . . . . 7.28 108.104 -174.032 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.418 ' CD2' ' HB2' ' A' ' 9' ' ' PRO . 14.3 p90 -158.08 170.55 22.05 Favored 'General case' 0 N--CA 1.437 -1.09 0 N-CA-C 102.399 -3.186 . . . . 5.47 102.399 174.498 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.7 t -104.66 113.46 41.72 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.587 0 O-C-N 124.942 1.402 . . . . 5.12 108.688 -178.335 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -86.36 133.39 33.8 Favored 'General case' 0 C--N 1.31 -1.11 0 C-N-CA 125.33 1.452 . . . . 6.57 108.547 173.142 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -79.21 -8.92 87.5 Favored Glycine 0 CA--C 1.497 -1.066 0 O-C-N 120.378 -1.451 . . . . 4.9 109.881 -176.223 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.89 -15.61 33.86 Favored Glycine 0 N--CA 1.434 -1.442 0 O-C-N 117.754 -3.203 . . . . 3.87 111.271 173.415 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.7 p -141.02 159.52 42.04 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 122.713 3.256 . . . . 7.44 108.251 171.645 64.875 -114.735 96.761 103.391 2.0 101.644 101.146 -77.473 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 45.34 66.76 0.84 Allowed 'General case' 0 C--O 1.22 -0.483 0 CA-C-O 126.829 3.204 . . . . 17.73 116.069 -177.148 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.11 128.26 36.32 Favored 'General case' 0 C--O 1.238 0.466 1 CA-C-N 104.823 -5.626 . . . . 9.67 109.649 174.16 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.04 -177.26 5.7 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 106.075 -1.824 . . . . 14.64 106.075 169.048 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 72.1 mtm180 -73.87 -31.23 63.05 Favored 'General case' 0 C--N 1.315 -0.912 0 O-C-N 117.313 -3.367 . . . . 19.18 117.545 -174.74 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -84.91 70.96 10.95 Favored 'General case' 0 N--CA 1.436 -1.135 0 N-CA-C 104.612 -2.366 . . . . 5.06 104.612 -178.769 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -157.28 109.79 2.46 Favored 'General case' 0 N--CA 1.41 -2.471 0 N-CA-C 101.148 -3.649 . . . . 9.38 101.148 -173.326 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -131.98 153.26 50.51 Favored 'General case' 0 C--N 1.369 1.425 0 CA-C-O 125.346 2.498 . . . . 8.43 109.834 -174.255 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 44.4 mttp -99.73 11.46 39.17 Favored 'General case' 0 C--N 1.289 -2.063 0 O-C-N 118.869 -2.394 . . . . 21.49 116.315 -178.141 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 96.3 p -157.18 160.32 38.63 Favored 'General case' 0 C--O 1.244 0.776 0 CA-C-N 120.218 1.372 . . . . 11.74 107.52 168.995 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.22 -38.74 78.7 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 121.396 1.907 . . . . 5.71 111.156 -177.344 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -72.49 -33.95 67.33 Favored 'General case' 0 N--CA 1.428 -1.571 0 CA-C-O 114.232 -2.794 . . . . 28.23 114.435 177.794 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.556 ' HA ' ' CZ ' ' A' ' 53' ' ' ARG . 43.7 t0 -60.24 -42.07 94.49 Favored 'General case' 0 CA--C 1.503 -0.829 0 CA-C-N 125.823 3.919 . . . . 26.45 104.4 176.121 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 41.8 t -58.92 -54.0 52.09 Favored 'General case' 0 C--O 1.248 1.019 0 CA-C-O 121.571 0.701 . . . . 7.69 111.37 -178.573 -176.439 -101.869 -82.845 103.585 1.967 103.009 -129.692 -64.494 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 82.1 mmm -66.89 -37.47 84.45 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-O 115.157 -2.354 . . . . 8.91 114.433 178.765 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.556 ' CZ ' ' HA ' ' A' ' 50' ' ' ASP . 3.8 mtp180 -59.08 -25.93 64.21 Favored 'General case' 0 C--N 1.344 0.352 0 CA-C-N 125.64 3.836 . . . . 12.06 111.91 173.912 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 52.2 m -91.61 -53.43 4.31 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-N 118.76 0.709 . . . . 14.66 110.552 -178.519 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 91.5 m -93.92 -1.38 54.79 Favored 'General case' 0 N--CA 1.439 -0.982 0 N-CA-C 117.401 2.371 . . . . 10.83 117.401 -176.787 -70.146 -53.494 -82.484 105.399 1.986 99.656 -82.368 -62.436 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -81.46 174.34 54.3 Favored Glycine 0 CA--C 1.539 1.538 0 CA-C-O 124.371 2.095 . . . . 19.56 115.26 178.144 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -98.61 -134.81 8.58 Favored Glycine 0 CA--C 1.532 1.112 0 O-C-N 119.855 -1.968 . . . . 25.14 112.328 -177.365 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.209 -1.055 0 CA-C-O 115.244 -2.313 . . . . 30.18 110.514 179.133 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 400' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 401' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 402' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 403' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 404' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 405' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 406' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 407' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 408' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 409' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 410' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 411' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 412' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 413' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 414' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 415' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 416' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 417' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 418' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 419' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 420' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 421' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 422' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 423' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 424' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 425' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 426' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 427' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 428' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 429' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_