data_1csq_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 1csq _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' ' ' MET . . . . . . . . . . . . . 18.9 mmt . . . . . 0 N--CA 1.472 0.659 0 CA-C-O 113.802 -2.999 . . . . 40.42 110.106 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 78.2 mt -149.69 158.44 44.17 Favored 'General case' 0 C--O 1.211 -0.935 1 CA-C-N 126.48 4.218 . . . . 25.68 108.849 176.473 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . . . -102.5 149.94 23.88 Favored 'General case' 0 N--CA 1.474 0.744 1 CA-C-N 127.852 4.842 . . . . 36.9 105.53 -177.031 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.95 166.12 39.39 Favored Glycine 0 N--CA 1.442 -0.907 0 CA-C-O 123.095 1.386 . . . . 29.55 109.947 175.164 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -123.7 154.96 38.69 Favored 'General case' 0 N--CA 1.419 -2.018 0 N-CA-C 101.754 -3.425 . . . . 54.8 101.754 172.1 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 p -88.92 119.32 35.86 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.198 0 C-N-CA 117.815 -1.554 . . . . 34.64 108.922 -173.06 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.2 tttp -54.41 -56.81 14.9 Favored 'General case' 0 C--N 1.347 0.462 0 C-N-CA 125.844 1.658 . . . . 36.06 111.809 -179.512 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 32.3 p-90 -163.76 164.05 23.83 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 103.172 -2.899 . . . . 34.18 103.172 175.464 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -145.51 142.82 29.55 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 107.848 -1.167 . . . . 34.07 107.848 -179.548 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -99.72 89.72 4.21 Favored 'General case' 0 CA--C 1.501 -0.924 0 O-C-N 116.86 -3.65 . . . . 32.9 102.658 -179.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 95.9 p -50.93 -36.14 36.96 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 122.059 2.209 . . . . 38.77 115.435 -170.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -60.89 -68.29 0.32 Allowed 'General case' 0 N--CA 1.431 -1.389 1 CA-C-N 106.68 -4.782 . . . . 44.65 107.316 177.904 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.6 tptm -84.54 -1.56 56.03 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 117.394 -3.316 . . . . 57.84 112.466 -177.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 60.81 42.06 99.38 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 120.306 2.882 . . . . 36.22 120.306 176.972 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 27.4 p90 -146.28 165.08 30.33 Favored 'General case' 0 CA--C 1.503 -0.858 0 CA-C-N 124.156 3.978 . . . . 32.38 104.645 169.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -177.24 -154.8 12.52 Favored Glycine 0 CA--C 1.486 -1.74 0 N-CA-C 105.457 -3.057 . . . . 20.63 105.457 -172.689 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -147.97 141.09 25.0 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-N 121.015 2.408 . . . . 19.98 110.368 -175.032 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 63.9 mt -108.96 118.42 56.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 127.524 2.33 . . . . 30.69 106.43 179.125 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -92.74 147.76 22.6 Favored 'General case' 0 C--O 1.247 0.936 0 N-CA-C 102.781 -3.044 . . . . 46.59 102.781 179.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.0 t -125.37 144.49 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.102 0 CA-C-N 108.827 -3.806 . . . . 49.85 103.741 -178.793 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . . . -70.12 100.66 1.68 Allowed 'General case' 0 C--N 1.351 0.664 0 CA-C-N 112.509 -2.132 . . . . 61.62 109.964 179.734 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.54 -41.23 2.23 Favored Glycine 0 C--O 1.243 0.688 0 CA-C-N 112.996 -1.911 . . . . 55.0 115.18 172.645 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -93.8 -173.58 3.19 Favored 'General case' 0 CA--C 1.561 1.384 0 CA-C-N 112.391 -1.905 . . . . 67.18 107.075 179.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . 0.318 0.1 OUTLIER -96.79 161.69 13.75 Favored 'General case' 0 C--N 1.356 0.854 0 O-C-N 120.01 -1.681 . . . . 54.85 108.519 176.259 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -46.8 140.03 4.94 Favored 'General case' 0 N--CA 1.434 -1.24 0 CA-C-N 112.899 -1.955 . . . . 31.82 114.15 176.524 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.08 140.57 29.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 N-CA-C 108.845 -0.798 . . . . 24.11 108.845 176.785 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -83.13 122.47 28.41 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 115.639 -2.124 . . . . 19.26 112.631 -178.566 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . 0.32 2.9 m -103.21 158.53 4.84 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.616 0 CA-C-N 124.702 3.41 . . . . 23.99 106.05 172.464 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -125.93 149.71 48.53 Favored 'General case' 0 N--CA 1.438 -1.037 0 N-CA-C 103.281 -2.859 . . . . 24.64 103.281 175.086 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -49.51 -36.62 23.75 Favored 'General case' 0 C--O 1.214 -0.796 0 CA-C-N 122.004 2.184 . . . . 21.39 110.961 -177.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 70.1 p -69.15 2.05 3.13 Favored 'General case' 0 CA--C 1.499 -1.007 0 O-C-N 117.155 -3.466 . . . . 18.33 116.356 -179.68 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.21 -6.1 35.44 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 102.128 -3.286 . . . . 16.44 102.128 177.769 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 72.7 mt -81.32 117.19 26.91 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.207 0 CA-C-N 121.554 1.979 . . . . 21.78 111.322 -172.264 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.59 148.46 22.66 Favored 'General case' 0 N--CA 1.432 -1.341 0 CA-C-O 125.409 2.528 . . . . 41.43 105.821 178.077 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 148.85 -154.68 25.97 Favored Glycine 0 CA--C 1.471 -2.681 1 N-CA-C 100.79 -4.924 . . . . 30.92 100.79 173.624 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . . . -144.95 137.99 26.55 Favored 'General case' 0 C--O 1.236 0.393 0 O-C-N 128.99 3.406 . . . . 47.36 105.765 170.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 121.25 169.72 13.8 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 103.248 -3.941 . . . . 31.75 103.248 -173.731 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -67.02 138.16 57.0 Favored 'General case' 0 CA--C 1.489 -1.381 0 N-CA-C 103.756 -2.683 . . . . 25.77 103.756 -174.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -84.73 89.86 7.6 Favored 'General case' 0 CA--C 1.497 -1.075 1 O-C-N 129.104 4.003 . . . . 23.51 114.646 -173.385 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -151.46 151.35 31.53 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 128.315 2.646 . . . . 30.83 109.754 177.874 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 34.8 mt -118.96 137.17 53.68 Favored 'General case' 0 CA--C 1.489 -1.398 0 N-CA-C 105.008 -2.219 . . . . 28.77 105.008 -178.75 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -78.11 146.99 34.84 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 103.557 -2.757 . . . . 54.91 103.557 174.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -64.16 150.32 45.93 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-N 124.962 3.528 . . . . 55.45 109.334 176.093 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.9 -18.99 44.44 Favored Glycine 0 C--N 1.308 -0.973 0 O-C-N 117.347 -3.346 . . . . 43.77 116.117 -176.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -68.47 152.71 45.02 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 123.926 3.863 . . . . 46.53 113.168 176.989 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -103.15 95.72 6.31 Favored 'General case' 0 N--CA 1.419 -1.98 0 CA-C-N 108.756 -3.838 . . . . 35.08 112.117 -170.531 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.9 m -98.0 152.13 4.25 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.494 0 CA-C-N 113.043 -1.89 . . . . 28.18 111.168 -173.65 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 77.2 p -109.08 142.52 39.68 Favored 'General case' 0 N--CA 1.436 -1.169 0 N-CA-C 105.736 -1.95 . . . . 22.2 105.736 161.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -146.59 -165.02 2.12 Favored 'General case' 0 C--O 1.246 0.888 0 O-C-N 118.219 -2.801 . . . . 22.71 110.485 -178.321 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -138.69 156.15 47.65 Favored 'General case' 0 N--CA 1.426 -1.649 0 N-CA-C 104.793 -2.299 . . . . 27.55 104.793 178.314 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 27.8 mt -117.15 138.33 48.18 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.363 0 N-CA-C 102.43 -3.174 . . . . 16.83 102.43 179.86 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -125.85 136.09 61.9 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.017 1 O-C-N 129.261 4.101 . . . . 22.25 107.184 -177.097 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -148.64 150.28 32.97 Favored 'General case' 0 CA--C 1.48 -1.733 0 C-N-CA 117.348 -1.741 . . . . 26.69 108.933 172.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -145.46 -151.17 5.36 Favored Glycine 0 CA--C 1.527 0.83 1 O-C-N 130.241 4.713 . . . . 22.2 105.787 176.927 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.3 p-10 -61.78 -34.84 76.59 Favored 'General case' 0 CA--C 1.499 -1.001 0 CA-C-O 114.727 -2.559 . . . . 40.5 113.024 177.123 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -71.46 0.49 8.21 Favored 'General case' 0 C--N 1.315 -0.901 2 CA-C-N 129.032 5.378 . . . . 26.37 116.548 172.881 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 99.19 169.62 30.63 Favored Glycine 0 C--O 1.224 -0.529 0 O-C-N 118.955 -2.341 . . . . 17.16 115.523 179.633 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -64.9 140.38 66.37 Favored 'Trans proline' 0 CA--C 1.483 -2.053 0 C-N-CA 124.151 3.234 . . . . 19.84 108.59 -178.197 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -155.01 143.85 20.78 Favored 'General case' 0 C--N 1.315 -0.893 0 O-C-N 125.934 2.021 . . . . 23.48 106.209 -178.0 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.84 148.75 42.11 Favored 'General case' 0 N--CA 1.426 -1.653 0 N-CA-C 114.054 1.131 . . . . 26.47 114.054 -175.121 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -140.4 165.11 28.32 Favored 'General case' 0 C--O 1.243 0.718 0 N-CA-C 106.135 -1.802 . . . . 29.17 106.135 179.053 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 54.28 34.63 20.92 Favored 'General case' 0 CA--C 1.481 -1.678 0 CA-C-N 112.132 -2.304 . . . . 34.1 114.692 175.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.4 t -66.94 105.53 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.499 -1.001 0 O-C-N 127.412 2.945 . . . . 28.64 104.286 -174.166 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 89.9 m -97.89 106.6 18.93 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 105.947 -1.872 . . . . 36.51 105.947 176.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -53.51 -46.81 70.23 Favored 'General case' 0 C--O 1.203 -1.355 0 N-CA-C 105.005 -2.22 . . . . 54.08 105.005 -179.548 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . . . 147.64 77.28 0.0 OUTLIER 'General case' 0 C--O 1.245 0.845 0 C-N-CA 130.038 3.335 . . . . 67.99 107.216 166.043 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 0.35 2 CA-C-N 104.284 -5.871 . . . . 70.9 99.298 179.137 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.9 mmt . . . . . 0 N--CA 1.472 0.659 0 CA-C-O 113.802 -2.999 . . . . 40.42 110.106 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' LEU . . . . . 0.49 ' O ' ' HA ' ' A' ' 48' ' ' SER . 78.2 mt -149.69 158.44 44.17 Favored 'General case' 0 C--O 1.211 -0.935 1 CA-C-N 126.48 4.218 . . . . 25.68 108.849 176.473 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . . . -102.5 149.94 23.88 Favored 'General case' 0 N--CA 1.474 0.744 1 CA-C-N 127.852 4.842 . . . . 36.9 105.53 -177.031 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLY . . . . . 0.415 ' O ' ' HA ' ' A' ' 46' ' ' ALA . . . -169.95 166.12 39.39 Favored Glycine 0 N--CA 1.442 -0.907 0 CA-C-O 123.095 1.386 . . . . 29.55 109.947 175.164 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LYS . . . . . 0.503 ' HA ' ' O ' ' A' ' 45' ' ' GLN . 77.7 mttt -123.7 154.96 38.69 Favored 'General case' 0 N--CA 1.419 -2.018 0 N-CA-C 101.754 -3.425 . . . . 54.8 101.754 172.1 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' VAL . . . . . 0.403 HG12 ' O ' ' A' ' 45' ' ' GLN . 2.1 p -88.92 119.32 35.86 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.198 0 C-N-CA 117.815 -1.554 . . . . 34.64 108.922 -173.06 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LYS . . . . . 0.407 ' HG2' ' HD1' ' A' ' 8' ' ' TRP . 20.2 tttp -54.41 -56.81 14.9 Favored 'General case' 0 C--N 1.347 0.462 0 C-N-CA 125.844 1.658 . . . . 36.06 111.809 -179.512 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' TRP . . . . . 0.407 ' HD1' ' HG2' ' A' ' 7' ' ' LYS . 32.3 p-90 -163.76 164.05 23.83 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 103.172 -2.899 . . . . 34.18 103.172 175.464 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' PHE . . . . . 0.537 ' HA ' ' HA3' ' A' ' 16' ' ' GLY . 14.5 t80 -145.51 142.82 29.55 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 107.848 -1.167 . . . . 34.07 107.848 -179.548 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -99.72 89.72 4.21 Favored 'General case' 0 CA--C 1.501 -0.924 0 O-C-N 116.86 -3.65 . . . . 32.9 102.658 -179.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 95.9 p -50.93 -36.14 36.96 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 122.059 2.209 . . . . 38.77 115.435 -170.908 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -60.89 -68.29 0.32 Allowed 'General case' 0 N--CA 1.431 -1.389 1 CA-C-N 106.68 -4.782 . . . . 44.65 107.316 177.904 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.6 tptm -84.54 -1.56 56.03 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 117.394 -3.316 . . . . 57.84 112.466 -177.391 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 60.81 42.06 99.38 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 120.306 2.882 . . . . 36.22 120.306 176.972 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 27.4 p90 -146.28 165.08 30.33 Favored 'General case' 0 CA--C 1.503 -0.858 0 CA-C-N 124.156 3.978 . . . . 32.38 104.645 169.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLY . . . . . 0.537 ' HA3' ' HA ' ' A' ' 9' ' ' PHE . . . -177.24 -154.8 12.52 Favored Glycine 0 CA--C 1.486 -1.74 0 N-CA-C 105.457 -3.057 . . . . 20.63 105.457 -172.689 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -147.97 141.09 25.0 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-N 121.015 2.408 . . . . 19.98 110.368 -175.032 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ILE . . . . . 0.451 HD13 HG21 ' A' ' 47' ' ' VAL . 63.9 mt -108.96 118.42 56.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 127.524 2.33 . . . . 30.69 106.43 179.125 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -92.74 147.76 22.6 Favored 'General case' 0 C--O 1.247 0.936 0 N-CA-C 102.781 -3.044 . . . . 46.59 102.781 179.593 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.0 t -125.37 144.49 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.102 0 CA-C-N 108.827 -3.806 . . . . 49.85 103.741 -178.793 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . . . -70.12 100.66 1.68 Allowed 'General case' 0 C--N 1.351 0.664 0 CA-C-N 112.509 -2.132 . . . . 61.62 109.964 179.734 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.54 -41.23 2.23 Favored Glycine 0 C--O 1.243 0.688 0 CA-C-N 112.996 -1.911 . . . . 55.0 115.18 172.645 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -93.8 -173.58 3.19 Favored 'General case' 0 CA--C 1.561 1.384 0 CA-C-N 112.391 -1.905 . . . . 67.18 107.075 179.741 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . 0.318 0.1 OUTLIER -96.79 161.69 13.75 Favored 'General case' 0 C--N 1.356 0.854 0 O-C-N 120.01 -1.681 . . . . 54.85 108.519 176.259 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -46.8 140.03 4.94 Favored 'General case' 0 N--CA 1.434 -1.24 0 CA-C-N 112.899 -1.955 . . . . 31.82 114.15 176.524 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' VAL . . . . . 0.615 HG11 HG12 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -111.08 140.57 29.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 N-CA-C 108.845 -0.798 . . . . 24.11 108.845 176.785 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -83.13 122.47 28.41 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 115.639 -2.124 . . . . 19.26 112.631 -178.566 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' VAL . . . . . 0.477 HG12 ' HB3' ' A' ' 60' ' ' ALA 0.32 2.9 m -103.21 158.53 4.84 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.616 0 CA-C-N 124.702 3.41 . . . . 23.99 106.05 172.464 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -125.93 149.71 48.53 Favored 'General case' 0 N--CA 1.438 -1.037 0 N-CA-C 103.281 -2.859 . . . . 24.64 103.281 175.086 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -49.51 -36.62 23.75 Favored 'General case' 0 C--O 1.214 -0.796 0 CA-C-N 122.004 2.184 . . . . 21.39 110.961 -177.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 70.1 p -69.15 2.05 3.13 Favored 'General case' 0 CA--C 1.499 -1.007 0 O-C-N 117.155 -3.466 . . . . 18.33 116.356 -179.68 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.21 -6.1 35.44 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 102.128 -3.286 . . . . 16.44 102.128 177.769 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 72.7 mt -81.32 117.19 26.91 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.207 0 CA-C-N 121.554 1.979 . . . . 21.78 111.322 -172.264 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.59 148.46 22.66 Favored 'General case' 0 N--CA 1.432 -1.341 0 CA-C-O 125.409 2.528 . . . . 41.43 105.821 178.077 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 148.85 -154.68 25.97 Favored Glycine 0 CA--C 1.471 -2.681 1 N-CA-C 100.79 -4.924 . . . . 30.92 100.79 173.624 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . . . -144.95 137.99 26.55 Favored 'General case' 0 C--O 1.236 0.393 0 O-C-N 128.99 3.406 . . . . 47.36 105.765 170.593 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 121.25 169.72 13.8 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 103.248 -3.941 . . . . 31.75 103.248 -173.731 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -67.02 138.16 57.0 Favored 'General case' 0 CA--C 1.489 -1.381 0 N-CA-C 103.756 -2.683 . . . . 25.77 103.756 -174.638 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -84.73 89.86 7.6 Favored 'General case' 0 CA--C 1.497 -1.075 1 O-C-N 129.104 4.003 . . . . 23.51 114.646 -173.385 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' THR . . . . . 0.415 ' HA ' ' HE2' ' A' ' 9' ' ' PHE . 0.6 OUTLIER -151.46 151.35 31.53 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 128.315 2.646 . . . . 30.83 109.754 177.874 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LEU . . . . . 0.718 HD23 ' HZ2' ' A' ' 65' ' ' LYS . 34.8 mt -118.96 137.17 53.68 Favored 'General case' 0 CA--C 1.489 -1.398 0 N-CA-C 105.008 -2.219 . . . . 28.77 105.008 -178.75 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -78.11 146.99 34.84 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 103.557 -2.757 . . . . 54.91 103.557 174.265 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -64.16 150.32 45.93 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-N 124.962 3.528 . . . . 55.45 109.334 176.093 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.9 -18.99 44.44 Favored Glycine 0 C--N 1.308 -0.973 0 O-C-N 117.347 -3.346 . . . . 43.77 116.117 -176.988 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLN . . . . . 0.503 ' O ' ' HA ' ' A' ' 5' ' ' LYS . 4.2 mt-30 -68.47 152.71 45.02 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 123.926 3.863 . . . . 46.53 113.168 176.989 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' ' 4' ' ' GLY . . . -103.15 95.72 6.31 Favored 'General case' 0 N--CA 1.419 -1.98 0 CA-C-N 108.756 -3.838 . . . . 35.08 112.117 -170.531 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 47' ' ' VAL . . . . . 0.451 HG21 HD13 ' A' ' 18' ' ' ILE . 28.9 m -98.0 152.13 4.25 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.494 0 CA-C-N 113.043 -1.89 . . . . 28.18 111.168 -173.65 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 48' ' ' SER . . . . . 0.49 ' HA ' ' O ' ' A' ' 2' ' ' LEU . 77.2 p -109.08 142.52 39.68 Favored 'General case' 0 N--CA 1.436 -1.169 0 N-CA-C 105.736 -1.95 . . . . 22.2 105.736 161.701 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -146.59 -165.02 2.12 Favored 'General case' 0 C--O 1.246 0.888 0 O-C-N 118.219 -2.801 . . . . 22.71 110.485 -178.321 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -138.69 156.15 47.65 Favored 'General case' 0 N--CA 1.426 -1.649 0 N-CA-C 104.793 -2.299 . . . . 27.55 104.793 178.314 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ILE . . . . . 0.615 HG12 HG11 ' A' ' 26' ' ' VAL . 27.8 mt -117.15 138.33 48.18 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.363 0 N-CA-C 102.43 -3.174 . . . . 16.83 102.43 179.86 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' VAL . . . . . 0.454 ' CG2' ' HB2' ' A' ' 61' ' ' ALA . 0.4 OUTLIER -125.85 136.09 61.9 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.017 1 O-C-N 129.261 4.101 . . . . 22.25 107.184 -177.097 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLU . . . . . 0.555 ' HB3' ' HA ' ' A' ' 58' ' ' PRO . 8.5 pt-20 -148.64 150.28 32.97 Favored 'General case' 0 CA--C 1.48 -1.733 0 C-N-CA 117.348 -1.741 . . . . 26.69 108.933 172.681 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -145.46 -151.17 5.36 Favored Glycine 0 CA--C 1.527 0.83 1 O-C-N 130.241 4.713 . . . . 22.2 105.787 176.927 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.3 p-10 -61.78 -34.84 76.59 Favored 'General case' 0 CA--C 1.499 -1.001 0 CA-C-O 114.727 -2.559 . . . . 40.5 113.024 177.123 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -71.46 0.49 8.21 Favored 'General case' 0 C--N 1.315 -0.901 2 CA-C-N 129.032 5.378 . . . . 26.37 116.548 172.881 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 99.19 169.62 30.63 Favored Glycine 0 C--O 1.224 -0.529 0 O-C-N 118.955 -2.341 . . . . 17.16 115.523 179.633 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' PRO . . . . . 0.555 ' HA ' ' HB3' ' A' ' 53' ' ' GLU . 62.9 Cg_endo -64.9 140.38 66.37 Favored 'Trans proline' 0 CA--C 1.483 -2.053 0 C-N-CA 124.151 3.234 . . . . 19.84 108.59 -178.197 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -155.01 143.85 20.78 Favored 'General case' 0 C--N 1.315 -0.893 0 O-C-N 125.934 2.021 . . . . 23.48 106.209 -178.0 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ALA . . . . . 0.477 ' HB3' HG12 ' A' ' 28' ' ' VAL . . . -73.84 148.75 42.11 Favored 'General case' 0 N--CA 1.426 -1.653 0 N-CA-C 114.054 1.131 . . . . 26.47 114.054 -175.121 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ALA . . . . . 0.454 ' HB2' ' CG2' ' A' ' 52' ' ' VAL . . . -140.4 165.11 28.32 Favored 'General case' 0 C--O 1.243 0.718 0 N-CA-C 106.135 -1.802 . . . . 29.17 106.135 179.053 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 54.28 34.63 20.92 Favored 'General case' 0 CA--C 1.481 -1.678 0 CA-C-N 112.132 -2.304 . . . . 34.1 114.692 175.937 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.4 t -66.94 105.53 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.499 -1.001 0 O-C-N 127.412 2.945 . . . . 28.64 104.286 -174.166 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' THR . . . . . 0.424 HG23 ' OXT' ' A' ' 67' ' ' ALA . 89.9 m -97.89 106.6 18.93 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 105.947 -1.872 . . . . 36.51 105.947 176.64 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 65' ' ' LYS . . . . . 0.718 ' HZ2' HD23 ' A' ' 41' ' ' LEU . 1.5 ttmp? -53.51 -46.81 70.23 Favored 'General case' 0 C--O 1.203 -1.355 0 N-CA-C 105.005 -2.22 . . . . 54.08 105.005 -179.548 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . . . 147.64 77.28 0.0 OUTLIER 'General case' 0 C--O 1.245 0.845 0 C-N-CA 130.038 3.335 . . . . 67.99 107.216 166.043 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ALA . . . . . 0.424 ' OXT' HG23 ' A' ' 64' ' ' THR . . . . . . . . 0 C--N 1.344 0.35 2 CA-C-N 104.284 -5.871 . . . . 70.9 99.298 179.137 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.9 mmt . . . . . 0 N--CA 1.472 0.659 0 CA-C-O 113.802 -2.999 . . . . 40.42 110.106 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.49 ' O ' ' HA ' ' A' ' 48' ' ' SER . 78.2 mt -149.69 158.44 44.17 Favored 'General case' 0 C--O 1.211 -0.935 1 CA-C-N 126.48 4.218 . . . . 25.68 108.849 176.473 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . . . -102.5 149.94 23.88 Favored 'General case' 0 N--CA 1.474 0.744 1 CA-C-N 127.852 4.842 . . . . 36.9 105.53 -177.031 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.415 ' O ' ' HA ' ' A' ' 46' ' ' ALA . . . -169.95 166.12 39.39 Favored Glycine 0 N--CA 1.442 -0.907 0 CA-C-O 123.095 1.386 . . . . 29.55 109.947 175.164 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.503 ' HA ' ' O ' ' A' ' 45' ' ' GLN . 77.7 mttt -123.7 154.96 38.69 Favored 'General case' 0 N--CA 1.419 -2.018 0 N-CA-C 101.754 -3.425 . . . . 54.8 101.754 172.1 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.403 HG12 ' O ' ' A' ' 45' ' ' GLN . 2.1 p -88.92 119.32 35.86 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.198 0 C-N-CA 117.815 -1.554 . . . . 34.64 108.922 -173.06 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.407 ' HG2' ' HD1' ' A' ' 8' ' ' TRP . 20.2 tttp -54.41 -56.81 14.9 Favored 'General case' 0 C--N 1.347 0.462 0 C-N-CA 125.844 1.658 . . . . 36.06 111.809 -179.512 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.407 ' HD1' ' HG2' ' A' ' 7' ' ' LYS . 32.3 p-90 -163.76 164.05 23.83 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 103.172 -2.899 . . . . 34.18 103.172 175.464 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.537 ' HA ' ' HA3' ' A' ' 16' ' ' GLY . 14.5 t80 -145.51 142.82 29.55 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 107.848 -1.167 . . . . 34.07 107.848 -179.548 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -99.72 89.72 4.21 Favored 'General case' 0 CA--C 1.501 -0.924 0 O-C-N 116.86 -3.65 . . . . 32.9 102.658 -179.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 95.9 p -50.93 -36.14 36.96 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 122.059 2.209 . . . . 38.77 115.435 -170.908 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -60.89 -68.29 0.32 Allowed 'General case' 0 N--CA 1.431 -1.389 1 CA-C-N 106.68 -4.782 . . . . 44.65 107.316 177.904 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.6 tptm -84.54 -1.56 56.03 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 117.394 -3.316 . . . . 57.84 112.466 -177.391 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 60.81 42.06 99.38 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 120.306 2.882 . . . . 36.22 120.306 176.972 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 27.4 p90 -146.28 165.08 30.33 Favored 'General case' 0 CA--C 1.503 -0.858 0 CA-C-N 124.156 3.978 . . . . 32.38 104.645 169.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.537 ' HA3' ' HA ' ' A' ' 9' ' ' PHE . . . -177.24 -154.8 12.52 Favored Glycine 0 CA--C 1.486 -1.74 0 N-CA-C 105.457 -3.057 . . . . 20.63 105.457 -172.689 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -147.97 141.09 25.0 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-N 121.015 2.408 . . . . 19.98 110.368 -175.032 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.451 HD13 HG21 ' A' ' 47' ' ' VAL . 63.9 mt -108.96 118.42 56.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 127.524 2.33 . . . . 30.69 106.43 179.125 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -92.74 147.76 22.6 Favored 'General case' 0 C--O 1.247 0.936 0 N-CA-C 102.781 -3.044 . . . . 46.59 102.781 179.593 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.0 t -125.37 144.49 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.102 0 CA-C-N 108.827 -3.806 . . . . 49.85 103.741 -178.793 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . . . -70.12 100.66 1.68 Allowed 'General case' 0 C--N 1.351 0.664 0 CA-C-N 112.509 -2.132 . . . . 61.62 109.964 179.734 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.54 -41.23 2.23 Favored Glycine 0 C--O 1.243 0.688 0 CA-C-N 112.996 -1.911 . . . . 55.0 115.18 172.645 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -93.8 -173.58 3.19 Favored 'General case' 0 CA--C 1.561 1.384 0 CA-C-N 112.391 -1.905 . . . . 67.18 107.075 179.741 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . 0.318 0.1 OUTLIER -96.79 161.69 13.75 Favored 'General case' 0 C--N 1.356 0.854 0 O-C-N 120.01 -1.681 . . . . 54.85 108.519 176.259 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -46.8 140.03 4.94 Favored 'General case' 0 N--CA 1.434 -1.24 0 CA-C-N 112.899 -1.955 . . . . 31.82 114.15 176.524 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.615 HG11 HG12 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -111.08 140.57 29.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 N-CA-C 108.845 -0.798 . . . . 24.11 108.845 176.785 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -83.13 122.47 28.41 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 115.639 -2.124 . . . . 19.26 112.631 -178.566 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.477 HG12 ' HB3' ' A' ' 60' ' ' ALA 0.32 2.9 m -103.21 158.53 4.84 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.616 0 CA-C-N 124.702 3.41 . . . . 23.99 106.05 172.464 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -125.93 149.71 48.53 Favored 'General case' 0 N--CA 1.438 -1.037 0 N-CA-C 103.281 -2.859 . . . . 24.64 103.281 175.086 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -49.51 -36.62 23.75 Favored 'General case' 0 C--O 1.214 -0.796 0 CA-C-N 122.004 2.184 . . . . 21.39 110.961 -177.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 70.1 p -69.15 2.05 3.13 Favored 'General case' 0 CA--C 1.499 -1.007 0 O-C-N 117.155 -3.466 . . . . 18.33 116.356 -179.68 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.21 -6.1 35.44 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 102.128 -3.286 . . . . 16.44 102.128 177.769 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 72.7 mt -81.32 117.19 26.91 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.207 0 CA-C-N 121.554 1.979 . . . . 21.78 111.322 -172.264 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.444 HE21 ' HA ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -90.59 148.46 22.66 Favored 'General case' 0 N--CA 1.432 -1.341 0 CA-C-O 125.409 2.528 . . . . 41.43 105.821 178.077 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 148.85 -154.68 25.97 Favored Glycine 0 CA--C 1.471 -2.681 1 N-CA-C 100.79 -4.924 . . . . 30.92 100.79 173.624 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . . . -144.95 137.99 26.55 Favored 'General case' 0 C--O 1.236 0.393 0 O-C-N 128.99 3.406 . . . . 47.36 105.765 170.593 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 121.25 169.72 13.8 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 103.248 -3.941 . . . . 31.75 103.248 -173.731 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -67.02 138.16 57.0 Favored 'General case' 0 CA--C 1.489 -1.381 0 N-CA-C 103.756 -2.683 . . . . 25.77 103.756 -174.638 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -84.73 89.86 7.6 Favored 'General case' 0 CA--C 1.497 -1.075 1 O-C-N 129.104 4.003 . . . . 23.51 114.646 -173.385 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' THR . . . . . 0.415 ' HA ' ' HE2' ' A' ' 9' ' ' PHE . 0.6 OUTLIER -151.46 151.35 31.53 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 128.315 2.646 . . . . 30.83 109.754 177.874 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.718 HD23 ' HZ2' ' A' ' 65' ' ' LYS . 34.8 mt -118.96 137.17 53.68 Favored 'General case' 0 CA--C 1.489 -1.398 0 N-CA-C 105.008 -2.219 . . . . 28.77 105.008 -178.75 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -78.11 146.99 34.84 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 103.557 -2.757 . . . . 54.91 103.557 174.265 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -64.16 150.32 45.93 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-N 124.962 3.528 . . . . 55.45 109.334 176.093 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.9 -18.99 44.44 Favored Glycine 0 C--N 1.308 -0.973 0 O-C-N 117.347 -3.346 . . . . 43.77 116.117 -176.988 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.503 ' O ' ' HA ' ' A' ' 5' ' ' LYS . 4.2 mt-30 -68.47 152.71 45.02 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 123.926 3.863 . . . . 46.53 113.168 176.989 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' ' 4' ' ' GLY . . . -103.15 95.72 6.31 Favored 'General case' 0 N--CA 1.419 -1.98 0 CA-C-N 108.756 -3.838 . . . . 35.08 112.117 -170.531 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.451 HG21 HD13 ' A' ' 18' ' ' ILE . 28.9 m -98.0 152.13 4.25 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.494 0 CA-C-N 113.043 -1.89 . . . . 28.18 111.168 -173.65 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' SER . . . . . 0.49 ' HA ' ' O ' ' A' ' 2' ' ' LEU . 77.2 p -109.08 142.52 39.68 Favored 'General case' 0 N--CA 1.436 -1.169 0 N-CA-C 105.736 -1.95 . . . . 22.2 105.736 161.701 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -146.59 -165.02 2.12 Favored 'General case' 0 C--O 1.246 0.888 0 O-C-N 118.219 -2.801 . . . . 22.71 110.485 -178.321 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -138.69 156.15 47.65 Favored 'General case' 0 N--CA 1.426 -1.649 0 N-CA-C 104.793 -2.299 . . . . 27.55 104.793 178.314 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.615 HG12 HG11 ' A' ' 26' ' ' VAL . 27.8 mt -117.15 138.33 48.18 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.363 0 N-CA-C 102.43 -3.174 . . . . 16.83 102.43 179.86 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.454 ' CG2' ' HB2' ' A' ' 61' ' ' ALA . 0.4 OUTLIER -125.85 136.09 61.9 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.017 1 O-C-N 129.261 4.101 . . . . 22.25 107.184 -177.097 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.555 ' HB3' ' HA ' ' A' ' 58' ' ' PRO . 8.5 pt-20 -148.64 150.28 32.97 Favored 'General case' 0 CA--C 1.48 -1.733 0 C-N-CA 117.348 -1.741 . . . . 26.69 108.933 172.681 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -145.46 -151.17 5.36 Favored Glycine 0 CA--C 1.527 0.83 1 O-C-N 130.241 4.713 . . . . 22.2 105.787 176.927 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.3 p-10 -61.78 -34.84 76.59 Favored 'General case' 0 CA--C 1.499 -1.001 0 CA-C-O 114.727 -2.559 . . . . 40.5 113.024 177.123 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -71.46 0.49 8.21 Favored 'General case' 0 C--N 1.315 -0.901 2 CA-C-N 129.032 5.378 . . . . 26.37 116.548 172.881 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 99.19 169.62 30.63 Favored Glycine 0 C--O 1.224 -0.529 0 O-C-N 118.955 -2.341 . . . . 17.16 115.523 179.633 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.555 ' HA ' ' HB3' ' A' ' 53' ' ' GLU . 62.9 Cg_endo -64.9 140.38 66.37 Favored 'Trans proline' 0 CA--C 1.483 -2.053 0 C-N-CA 124.151 3.234 . . . . 19.84 108.59 -178.197 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -155.01 143.85 20.78 Favored 'General case' 0 C--N 1.315 -0.893 0 O-C-N 125.934 2.021 . . . . 23.48 106.209 -178.0 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.477 ' HB3' HG12 ' A' ' 28' ' ' VAL . . . -73.84 148.75 42.11 Favored 'General case' 0 N--CA 1.426 -1.653 0 N-CA-C 114.054 1.131 . . . . 26.47 114.054 -175.121 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.454 ' HB2' ' CG2' ' A' ' 52' ' ' VAL . . . -140.4 165.11 28.32 Favored 'General case' 0 C--O 1.243 0.718 0 N-CA-C 106.135 -1.802 . . . . 29.17 106.135 179.053 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 54.28 34.63 20.92 Favored 'General case' 0 CA--C 1.481 -1.678 0 CA-C-N 112.132 -2.304 . . . . 34.1 114.692 175.937 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.4 t -66.94 105.53 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.499 -1.001 0 O-C-N 127.412 2.945 . . . . 28.64 104.286 -174.166 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' THR . . . . . 0.424 HG23 ' OXT' ' A' ' 67' ' ' ALA . 89.9 m -97.89 106.6 18.93 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 105.947 -1.872 . . . . 36.51 105.947 176.64 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.718 ' HZ2' HD23 ' A' ' 41' ' ' LEU . 1.5 ttmp? -53.51 -46.81 70.23 Favored 'General case' 0 C--O 1.203 -1.355 0 N-CA-C 105.005 -2.22 . . . . 54.08 105.005 -179.548 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . . . 147.64 77.28 0.0 OUTLIER 'General case' 0 C--O 1.245 0.845 0 C-N-CA 130.038 3.335 . . . . 67.99 107.216 166.043 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.424 ' OXT' HG23 ' A' ' 64' ' ' THR . . . . . . . . 0 C--N 1.344 0.35 2 CA-C-N 104.284 -5.871 . . . . 70.9 99.298 179.137 . . . . . . . . 2 2 . 1 stop_ save_