data_6tgn_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6tgn _Structure_validation_residue.Date_analyzed 2020-02-07 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 ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 2.138 0 CA-C-O 119.631 -0.224 . . . . 268.33 110.634 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 31.9 p30 -127.17 166.21 18.12 Favored 'General case' 0 C--O 1.21 -0.995 0 CA-C-N 117.791 0.269 . . . . 413.63 111.19 -159.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -109.24 163.88 12.96 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 121.901 0.857 . . . . 158.13 110.422 -173.103 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 44.4 tp -99.47 125.83 45.28 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 114.244 -1.343 . . . . 176.08 110.399 170.416 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 57.9 t -82.17 122.03 36.29 Favored 'Isoleucine or valine' 0 C--O 1.242 0.693 0 N-CA-C 106.378 -1.712 . . . . 101.12 106.378 178.056 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 54.7 t -110.84 128.79 66.99 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.937 0 O-C-N 125.102 1.501 . . . . 91.51 107.711 178.614 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -111.32 124.42 52.21 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-O 116.14 -1.886 . . . . 79.25 108.378 172.337 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.5 m -112.45 161.89 10.89 Favored 'Isoleucine or valine' 0 C--N 1.346 0.456 0 O-C-N 124.385 1.053 . . . . 54.96 112.475 169.401 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 86.9 p -155.99 113.8 3.31 Favored 'General case' 0 C--N 1.349 0.559 0 C-N-CA 120.706 -0.398 . . . . 97.68 110.641 -173.557 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -135.94 135.21 39.42 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 107.781 -1.192 . . . . 130.68 107.781 179.052 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 63.29 35.25 91.81 Favored Glycine 0 C--N 1.334 0.454 0 O-C-N 125.852 1.97 . . . . 123.85 110.521 -175.201 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 62.91 25.23 67.58 Favored Glycine 0 C--N 1.344 0.978 0 O-C-N 126.539 1.964 . . . . 166.99 112.666 170.234 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.2 t -117.78 112.14 37.42 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.493 0 N-CA-C 109.316 -0.624 . . . . 129.24 109.316 168.467 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 53.2 tp -76.64 146.63 38.06 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 107.873 -1.158 . . . . 198.46 107.873 178.55 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -132.58 -174.85 3.57 Favored 'General case' 0 C--O 1.215 -0.724 0 N-CA-C 108.118 -1.068 . . . . 112.84 108.118 174.621 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.03 140.56 5.39 Favored 'General case' 0 C--O 1.244 0.806 0 C-N-CA 116.376 -2.129 . . . . 106.5 108.016 175.061 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -149.66 167.05 27.48 Favored 'General case' 0 C--O 1.223 -0.342 0 O-C-N 126.115 2.135 . . . . 126.33 108.927 173.669 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.7 mtp-105 -116.64 155.49 28.69 Favored 'General case' 0 N--CA 1.451 -0.397 0 O-C-N 124.243 0.964 . . . . 213.88 109.944 -173.032 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.5 t -135.09 124.51 16.48 Favored Pre-proline 0 C--O 1.24 0.558 0 N-CA-C 107.133 -1.432 . . . . 117.95 107.133 -177.014 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -78.11 165.74 25.61 Favored 'Trans proline' 0 C--N 1.351 0.675 0 CA-C-N 119.038 0.692 . . . . 102.24 112.625 -176.782 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.1 m -120.84 160.37 21.73 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 N-CA-C 108.736 -0.838 . . . . 147.25 108.736 171.728 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 47.7 mttt -71.81 -178.07 2.17 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 125.521 1.763 . . . . 320.0 110.257 177.563 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.03 -27.97 60.28 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.06 -1.427 . . . . 174.14 108.907 168.897 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -70.36 -48.88 54.29 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 109.625 -0.509 . . . . 165.61 109.625 -174.974 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 139.77 -2.58 2.47 Favored Glycine 0 C--N 1.347 1.169 0 CA-C-O 119.19 -0.783 . . . . 110.05 114.329 169.043 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -93.06 159.47 15.29 Favored 'General case' 0 C--O 1.217 -0.656 0 C-N-CA 119.09 -1.044 . . . . 282.91 111.175 179.271 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 66.1 mt -67.64 143.84 55.81 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 122.885 0.474 . . . . 238.9 109.956 -179.169 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -98.28 44.46 1.04 Allowed 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 118.833 -1.147 . . . . 200.14 111.658 -172.327 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.5 pp -156.76 171.86 19.63 Favored 'General case' 0 C--O 1.22 -0.497 0 C-N-CA 123.118 0.567 . . . . 252.08 111.265 165.259 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.0 pm0 -131.97 177.95 7.15 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.83 -0.623 . . . . 292.22 109.575 178.515 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 78.3 mmm -63.71 -40.63 97.24 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.381 0.61 . . . . 160.86 112.085 -168.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.37 -26.8 63.88 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 117.812 -1.555 . . . . 180.52 108.91 -179.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.89 -17.84 77.94 Favored Glycine 0 C--N 1.346 1.105 0 C-N-CA 124.323 0.963 . . . . 115.12 111.593 172.12 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 58.4 tp -97.18 -43.34 7.41 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 119.661 -0.816 . . . . 213.1 110.699 -176.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 42.1 mtpt -72.48 -26.35 61.77 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 119.475 -0.89 . . . . 217.05 110.214 -171.69 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -84.21 -14.5 49.85 Favored 'General case' 0 N--CA 1.454 -0.266 0 O-C-N 121.382 -0.824 . . . . 363.26 109.552 175.522 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 44.0 tptt -78.68 -36.84 43.1 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 112.076 0.399 . . . . 248.61 112.076 171.899 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 89.7 mt -65.79 -35.32 74.89 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.685 0 C-N-CA 123.327 0.651 . . . . 173.51 110.128 174.696 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.68 -14.36 62.01 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-O 120.715 0.293 . . . . 120.45 111.076 -179.358 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.42 -34.46 47.92 Favored 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 122.023 -0.423 . . . . 159.81 110.905 174.553 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.9 mt -75.18 -38.64 60.75 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 119.624 -0.83 . . . . 156.53 109.706 -172.919 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -103.11 -0.51 30.53 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 114.575 1.324 . . . . 109.55 114.575 -165.829 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 53.05 42.19 32.21 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 124.391 1.076 . . . . 342.52 111.815 -173.373 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 84.2 mt -86.44 149.49 24.96 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 108.369 -0.975 . . . . 238.83 108.369 174.856 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 67.0 m -69.16 127.99 35.06 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.274 -0.875 . . . . 345.59 109.132 169.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.8 -18.87 62.73 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 116.105 -0.498 . . . . 384.27 111.634 -167.612 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 41.2 p-10 -76.41 -15.61 59.89 Favored 'General case' 0 N--CA 1.453 -0.279 0 O-C-N 123.062 0.226 . . . . 440.0 110.941 -178.427 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.24 153.85 42.91 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 121.537 0.685 . . . . 255.36 110.179 178.881 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -79.99 139.5 36.98 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 114.87 -1.059 . . . . 440.0 110.415 178.024 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.6 mt -115.25 135.36 54.24 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 109.284 -0.635 . . . . 145.43 109.284 173.722 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 33.4 t -116.36 98.52 6.63 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.894 1.371 . . . . 232.85 109.179 174.048 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 82.8 mt -103.38 125.69 50.13 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 107.863 -1.162 . . . . 119.35 107.863 -167.406 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 80.8 p -133.79 120.46 20.53 Favored 'General case' 0 N--CA 1.447 -0.608 0 O-C-N 123.314 0.384 . . . . 90.65 111.587 179.731 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 35.5 p90 -91.03 -169.03 2.22 Favored 'General case' 0 C--O 1.197 -1.686 0 CA-C-N 115.968 -0.56 . . . . 82.65 110.137 -177.107 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.4 m -116.64 133.64 55.78 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.316 1.047 . . . . 109.8 111.858 176.764 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ASP . . . . . 0.774 ' OD1' ' N ' ' A' ' 61' ' ' GLU . 63.0 t0 -78.91 -176.78 5.19 Favored 'General case' 0 N--CA 1.439 -1.016 0 N-CA-C 106.869 -1.53 . . . . 195.03 106.869 -176.067 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLU . . . . . 0.774 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 19.8 pt-20 -71.87 -41.86 67.53 Favored 'General case' 0 C--N 1.347 0.494 0 O-C-N 123.786 0.679 . . . . 307.36 109.641 175.085 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 55.2 p-10 -107.19 30.05 6.56 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 122.754 0.422 . . . . 271.04 111.068 -175.292 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 91.47 13.21 58.73 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 124.585 1.088 . . . . 205.05 115.617 152.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -77.19 163.07 26.89 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 118.327 1.063 . . . . 286.93 110.7 175.392 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 86.2 t -103.16 87.63 1.18 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-O 121.932 0.872 . . . . 177.15 109.953 173.632 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.5 t -81.33 158.24 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 108.984 -0.747 . . . . 72.09 108.984 -171.448 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -96.33 152.06 18.94 Favored 'General case' 0 C--O 1.212 -0.869 0 N-CA-C 113.721 1.008 . . . . 70.87 113.721 171.327 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 48.9 mt -111.3 129.95 55.82 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 124.679 1.192 . . . . 98.99 110.089 170.083 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.4 m -137.87 -25.57 0.41 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.292 0 CA-C-N 115.736 -0.665 . . . . 288.45 110.211 -173.419 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 28.9 p-10 -154.32 172.91 16.92 Favored 'General case' 0 CA--C 1.514 -0.441 0 C-N-CA 119.037 -1.065 . . . . 311.43 109.822 -163.245 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -85.07 3.0 40.85 Favored 'General case' 0 N--CA 1.454 -0.257 0 O-C-N 125.075 1.484 . . . . 240.79 110.829 178.838 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -79.91 -35.42 37.89 Favored 'General case' 0 N--CA 1.452 -0.328 0 O-C-N 123.924 0.765 . . . . 300.62 110.771 173.449 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -88.61 -12.62 42.11 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-O 121.008 0.433 . . . . 188.23 112.113 -178.864 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.9 mp -76.09 -23.34 54.96 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 119.656 -0.818 . . . . 191.79 110.779 170.194 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -68.61 -32.28 72.04 Favored 'General case' 0 N--CA 1.44 -0.969 0 C-N-CA 119.62 -0.832 . . . . 373.06 110.106 172.807 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -72.96 -22.07 60.76 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 116.289 -0.414 . . . . 135.75 112.045 -172.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 40.7 t -67.91 -28.84 42.81 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.396 0 CA-C-O 118.744 -0.645 . . . . 104.5 112.398 -178.677 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 81.4 p -70.64 -46.42 63.33 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 123.601 0.563 . . . . 138.06 110.822 176.0 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -76.54 -14.91 59.98 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 123.429 0.456 . . . . 184.6 112.09 -177.636 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 61.4 tp60 -70.9 -26.78 63.37 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.135 -0.691 . . . . 148.87 109.135 -177.807 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 36.9 ttm105 60.25 66.53 0.95 Allowed 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.024 1.33 . . . . 440.0 111.639 178.091 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.6 tp -106.38 147.85 28.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.26 -1.337 . . . . 198.55 108.514 -178.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.61 -38.63 58.86 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.788 0.662 . . . . 440.0 112.788 -172.368 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -156.27 135.74 12.33 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 107.58 -1.267 . . . . 128.5 107.58 166.989 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 35.9 tp -81.81 145.78 30.25 Favored 'General case' 0 C--O 1.249 1.034 0 N-CA-C 109.675 -0.491 . . . . 137.66 109.675 -175.259 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -127.67 120.01 27.12 Favored 'General case' 0 C--N 1.349 0.574 0 C-N-CA 118.723 -1.191 . . . . 366.82 112.421 173.96 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 70.4 mt -115.72 122.83 70.28 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.795 0 N-CA-C 113.411 0.893 . . . . 132.88 113.411 -174.236 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -94.87 142.44 27.47 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.262 0.553 . . . . 131.37 110.842 -177.544 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 63.9 t -103.46 132.21 50.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 107.221 -1.4 . . . . 110.34 107.221 -179.38 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 -129.11 118.24 22.14 Favored 'General case' 0 N--CA 1.448 -0.55 0 O-C-N 125.176 1.548 . . . . 143.04 110.266 163.226 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -116.83 164.97 13.86 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 126.389 2.306 . . . . 289.45 110.606 -177.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.957 0 CA-C-O 117.597 -1.669 . . . . 424.25 112.952 175.132 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 2.138 0 CA-C-O 119.631 -0.224 . . . . 268.32999999999998 110.634 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 31.9 p30 -127.17 166.21 18.12 Favored 'General case' 0 C--O 1.21 -0.995 0 CA-C-N 117.791 0.269 . . . . 413.63 111.19 -159.939 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -109.24 163.88 12.96 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 121.901 0.857 . . . . 158.13 110.422 -173.103 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 44.4 tp -99.47 125.83 45.28 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 114.244 -1.343 . . . . 176.08000000000001 110.399 170.416 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 57.9 t -82.17 122.03 36.29 Favored 'Isoleucine or valine' 0 C--O 1.242 0.693 0 N-CA-C 106.378 -1.712 . . . . 101.12 106.378 178.056 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 54.7 t -110.84 128.79 66.99 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.937 0 O-C-N 125.102 1.501 . . . . 91.510000000000005 107.711 178.614 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LYS . . . . . 0.532 ' HG3' ' HD2' ' A' ' 84' ' ' PHE . 21.0 mttt -111.32 124.42 52.21 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-O 116.14 -1.886 . . . . 79.25 108.378 172.337 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' VAL . . . . . 0.485 HG12 ' HB ' ' A' ' 87' ' ' ILE . 35.5 m -112.45 161.89 10.89 Favored 'Isoleucine or valine' 0 C--N 1.346 0.456 0 O-C-N 124.385 1.053 . . . . 54.960000000000001 112.475 169.401 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 86.9 p -155.99 113.8 3.31 Favored 'General case' 0 C--N 1.349 0.559 0 C-N-CA 120.706 -0.398 . . . . 97.680000000000007 110.641 -173.557 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -135.94 135.21 39.42 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 107.781 -1.192 . . . . 130.68000000000001 107.781 179.052 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 63.29 35.25 91.81 Favored Glycine 0 C--N 1.334 0.454 0 O-C-N 125.852 1.97 . . . . 123.84999999999999 110.521 -175.201 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 62.91 25.23 67.58 Favored Glycine 0 C--N 1.344 0.978 0 O-C-N 126.539 1.964 . . . . 166.99000000000001 112.666 170.234 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.2 t -117.78 112.14 37.42 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.493 0 N-CA-C 109.316 -0.624 . . . . 129.24000000000001 109.316 168.467 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 53.2 tp -76.64 146.63 38.06 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 107.873 -1.158 . . . . 198.46000000000001 107.873 178.55 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -132.58 -174.85 3.57 Favored 'General case' 0 C--O 1.215 -0.724 0 N-CA-C 108.118 -1.068 . . . . 112.84 108.118 174.621 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.03 140.56 5.39 Favored 'General case' 0 C--O 1.244 0.806 0 C-N-CA 116.376 -2.129 . . . . 106.5 108.016 175.061 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -149.66 167.05 27.48 Favored 'General case' 0 C--O 1.223 -0.342 0 O-C-N 126.115 2.135 . . . . 126.33 108.927 173.669 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.7 mtp-105 -116.64 155.49 28.69 Favored 'General case' 0 N--CA 1.451 -0.397 0 O-C-N 124.243 0.964 . . . . 213.88 109.944 -173.032 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.5 t -135.09 124.51 16.48 Favored Pre-proline 0 C--O 1.24 0.558 0 N-CA-C 107.133 -1.432 . . . . 117.95 107.133 -177.014 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -78.11 165.74 25.61 Favored 'Trans proline' 0 C--N 1.351 0.675 0 CA-C-N 119.038 0.692 . . . . 102.23999999999999 112.625 -176.782 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' VAL . . . . . 0.401 HG12 HD23 ' A' ' 31' ' ' LEU . 5.1 m -120.84 160.37 21.73 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 N-CA-C 108.736 -0.838 . . . . 147.25 108.736 171.728 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 47.7 mttt -71.81 -178.07 2.17 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 125.521 1.763 . . . . 320.0 110.257 177.563 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.03 -27.97 60.28 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.06 -1.427 . . . . 174.13999999999999 108.907 168.897 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -70.36 -48.88 54.29 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 109.625 -0.509 . . . . 165.61000000000001 109.625 -174.974 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 139.77 -2.58 2.47 Favored Glycine 0 C--N 1.347 1.169 0 CA-C-O 119.19 -0.783 . . . . 110.05 114.329 169.043 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -93.06 159.47 15.29 Favored 'General case' 0 C--O 1.217 -0.656 0 C-N-CA 119.09 -1.044 . . . . 282.91000000000003 111.175 179.271 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LEU . . . . . 0.401 HD23 HG12 ' A' ' 25' ' ' VAL . 66.1 mt -67.64 143.84 55.81 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 122.885 0.474 . . . . 238.90000000000001 109.956 -179.169 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -98.28 44.46 1.04 Allowed 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 118.833 -1.147 . . . . 200.13999999999999 111.658 -172.327 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.5 pp -156.76 171.86 19.63 Favored 'General case' 0 C--O 1.22 -0.497 0 C-N-CA 123.118 0.567 . . . . 252.08000000000001 111.265 165.259 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.0 pm0 -131.97 177.95 7.15 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.83 -0.623 . . . . 292.22000000000003 109.575 178.515 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 78.3 mmm -63.71 -40.63 97.24 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.381 0.61 . . . . 160.86000000000001 112.085 -168.535 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.37 -26.8 63.88 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 117.812 -1.555 . . . . 180.52000000000001 108.91 -179.765 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.89 -17.84 77.94 Favored Glycine 0 C--N 1.346 1.105 0 C-N-CA 124.323 0.963 . . . . 115.12 111.593 172.12 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 58.4 tp -97.18 -43.34 7.41 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 119.661 -0.816 . . . . 213.09999999999999 110.699 -176.593 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 42.1 mtpt -72.48 -26.35 61.77 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 119.475 -0.89 . . . . 217.05000000000001 110.214 -171.69 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -84.21 -14.5 49.85 Favored 'General case' 0 N--CA 1.454 -0.266 0 O-C-N 121.382 -0.824 . . . . 363.25999999999999 109.552 175.522 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 44.0 tptt -78.68 -36.84 43.1 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 112.076 0.399 . . . . 248.61000000000001 112.076 171.899 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 89.7 mt -65.79 -35.32 74.89 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.685 0 C-N-CA 123.327 0.651 . . . . 173.50999999999999 110.128 174.696 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.68 -14.36 62.01 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-O 120.715 0.293 . . . . 120.45 111.076 -179.358 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.42 -34.46 47.92 Favored 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 122.023 -0.423 . . . . 159.81 110.905 174.553 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.9 mt -75.18 -38.64 60.75 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 119.624 -0.83 . . . . 156.53 109.706 -172.919 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -103.11 -0.51 30.53 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 114.575 1.324 . . . . 109.55 114.575 -165.829 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 53.05 42.19 32.21 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 124.391 1.076 . . . . 342.51999999999998 111.815 -173.373 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 84.2 mt -86.44 149.49 24.96 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 108.369 -0.975 . . . . 238.83000000000001 108.369 174.856 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 67.0 m -69.16 127.99 35.06 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.274 -0.875 . . . . 345.58999999999997 109.132 169.771 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.8 -18.87 62.73 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 116.105 -0.498 . . . . 384.26999999999998 111.634 -167.612 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 41.2 p-10 -76.41 -15.61 59.89 Favored 'General case' 0 N--CA 1.453 -0.279 0 O-C-N 123.062 0.226 . . . . 440.0 110.941 -178.427 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.24 153.85 42.91 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 121.537 0.685 . . . . 255.36000000000001 110.179 178.881 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -79.99 139.5 36.98 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 114.87 -1.059 . . . . 440.0 110.415 178.024 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.6 mt -115.25 135.36 54.24 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 109.284 -0.635 . . . . 145.43000000000001 109.284 173.722 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 33.4 t -116.36 98.52 6.63 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.894 1.371 . . . . 232.84999999999999 109.179 174.048 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 82.8 mt -103.38 125.69 50.13 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 107.863 -1.162 . . . . 119.34999999999999 107.863 -167.406 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 80.8 p -133.79 120.46 20.53 Favored 'General case' 0 N--CA 1.447 -0.608 0 O-C-N 123.314 0.384 . . . . 90.650000000000006 111.587 179.731 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 35.5 p90 -91.03 -169.03 2.22 Favored 'General case' 0 C--O 1.197 -1.686 0 CA-C-N 115.968 -0.56 . . . . 82.650000000000006 110.137 -177.107 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.4 m -116.64 133.64 55.78 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.316 1.047 . . . . 109.8 111.858 176.764 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ASP . . . . . 0.761 ' OD1' ' N ' ' A' ' 61' ' ' GLU . 63.0 t0 -78.91 -176.78 5.19 Favored 'General case' 0 N--CA 1.439 -1.016 0 N-CA-C 106.869 -1.53 . . . . 195.03 106.869 -176.067 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLU . . . . . 0.761 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 19.8 pt-20 -71.87 -41.86 67.53 Favored 'General case' 0 C--N 1.347 0.494 0 O-C-N 123.786 0.679 . . . . 307.36000000000001 109.641 175.085 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 55.2 p-10 -107.19 30.05 6.56 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 122.754 0.422 . . . . 271.04000000000002 111.068 -175.292 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 91.47 13.21 58.73 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 124.585 1.088 . . . . 205.05000000000001 115.617 152.988 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -77.19 163.07 26.89 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 118.327 1.063 . . . . 286.93000000000001 110.7 175.392 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 86.2 t -103.16 87.63 1.18 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-O 121.932 0.872 . . . . 177.15000000000001 109.953 173.632 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.5 t -81.33 158.24 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 108.984 -0.747 . . . . 72.090000000000003 108.984 -171.448 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -96.33 152.06 18.94 Favored 'General case' 0 C--O 1.212 -0.869 0 N-CA-C 113.721 1.008 . . . . 70.870000000000005 113.721 171.327 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 48.9 mt -111.3 129.95 55.82 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 124.679 1.192 . . . . 98.989999999999995 110.089 170.083 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.4 m -137.87 -25.57 0.41 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.292 0 CA-C-N 115.736 -0.665 . . . . 288.44999999999999 110.211 -173.419 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 28.9 p-10 -154.32 172.91 16.92 Favored 'General case' 0 CA--C 1.514 -0.441 0 C-N-CA 119.037 -1.065 . . . . 311.43000000000001 109.822 -163.245 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -85.07 3.0 40.85 Favored 'General case' 0 N--CA 1.454 -0.257 0 O-C-N 125.075 1.484 . . . . 240.78999999999999 110.829 178.838 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -79.91 -35.42 37.89 Favored 'General case' 0 N--CA 1.452 -0.328 0 O-C-N 123.924 0.765 . . . . 300.62 110.771 173.449 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -88.61 -12.62 42.11 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-O 121.008 0.433 . . . . 188.22999999999999 112.113 -178.864 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.9 mp -76.09 -23.34 54.96 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 119.656 -0.818 . . . . 191.78999999999999 110.779 170.194 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -68.61 -32.28 72.04 Favored 'General case' 0 N--CA 1.44 -0.969 0 C-N-CA 119.62 -0.832 . . . . 373.06 110.106 172.807 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -72.96 -22.07 60.76 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 116.289 -0.414 . . . . 135.75 112.045 -172.64 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 40.7 t -67.91 -28.84 42.81 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.396 0 CA-C-O 118.744 -0.645 . . . . 104.5 112.398 -178.677 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 81.4 p -70.64 -46.42 63.33 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 123.601 0.563 . . . . 138.06 110.822 176.0 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -76.54 -14.91 59.98 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 123.429 0.456 . . . . 184.59999999999999 112.09 -177.636 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -70.9 -26.78 63.37 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.135 -0.691 . . . . 148.87 109.135 -177.807 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 36.9 ttm105 60.25 66.53 0.95 Allowed 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.024 1.33 . . . . 440.0 111.639 178.091 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.6 tp -106.38 147.85 28.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.26 -1.337 . . . . 198.55000000000001 108.514 -178.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.61 -38.63 58.86 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.788 0.662 . . . . 440.0 112.788 -172.368 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 84' ' ' PHE . . . . . 0.532 ' HD2' ' HG3' ' A' ' 11' ' ' LYS . 16.2 p90 -156.27 135.74 12.33 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 107.58 -1.267 . . . . 128.5 107.58 166.989 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 35.9 tp -81.81 145.78 30.25 Favored 'General case' 0 C--O 1.249 1.034 0 N-CA-C 109.675 -0.491 . . . . 137.66 109.675 -175.259 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -127.67 120.01 27.12 Favored 'General case' 0 C--N 1.349 0.574 0 C-N-CA 118.723 -1.191 . . . . 366.81999999999999 112.421 173.96 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ILE . . . . . 0.485 ' HB ' HG12 ' A' ' 12' ' ' VAL . 70.4 mt -115.72 122.83 70.28 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.795 0 N-CA-C 113.411 0.893 . . . . 132.88 113.411 -174.236 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -94.87 142.44 27.47 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.262 0.553 . . . . 131.37 110.842 -177.544 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 63.9 t -103.46 132.21 50.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 107.221 -1.4 . . . . 110.34 107.221 -179.38 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 -129.11 118.24 22.14 Favored 'General case' 0 N--CA 1.448 -0.55 0 O-C-N 125.176 1.548 . . . . 143.03999999999999 110.266 163.226 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -116.83 164.97 13.86 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 126.389 2.306 . . . . 289.44999999999999 110.606 -177.657 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.957 0 CA-C-O 117.597 -1.669 . . . . 424.25 112.952 175.132 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 2.138 0 CA-C-O 119.631 -0.224 . . . . 268.33 110.634 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 31.9 p30 -127.17 166.21 18.12 Favored 'General case' 0 C--O 1.21 -0.995 0 CA-C-N 117.791 0.269 . . . . 413.63 111.19 -159.939 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -109.24 163.88 12.96 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 121.901 0.857 . . . . 158.13 110.422 -173.103 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 44.4 tp -99.47 125.83 45.28 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 114.244 -1.343 . . . . 176.08 110.399 170.416 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 57.9 t -82.17 122.03 36.29 Favored 'Isoleucine or valine' 0 C--O 1.242 0.693 0 N-CA-C 106.378 -1.712 . . . . 101.12 106.378 178.056 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 54.7 t -110.84 128.79 66.99 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.937 0 O-C-N 125.102 1.501 . . . . 91.51 107.711 178.614 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.532 ' HG3' ' HD2' ' A' ' 84' ' ' PHE . 21.0 mttt -111.32 124.42 52.21 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-O 116.14 -1.886 . . . . 79.25 108.378 172.337 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.485 HG12 ' HB ' ' A' ' 87' ' ' ILE . 35.5 m -112.45 161.89 10.89 Favored 'Isoleucine or valine' 0 C--N 1.346 0.456 0 O-C-N 124.385 1.053 . . . . 54.96 112.475 169.401 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 86.9 p -155.99 113.8 3.31 Favored 'General case' 0 C--N 1.349 0.559 0 C-N-CA 120.706 -0.398 . . . . 97.68 110.641 -173.557 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -135.94 135.21 39.42 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 107.781 -1.192 . . . . 130.68 107.781 179.052 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 63.29 35.25 91.81 Favored Glycine 0 C--N 1.334 0.454 0 O-C-N 125.852 1.97 . . . . 123.85 110.521 -175.201 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 62.91 25.23 67.58 Favored Glycine 0 C--N 1.344 0.978 0 O-C-N 126.539 1.964 . . . . 166.99 112.666 170.234 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.2 t -117.78 112.14 37.42 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.493 0 N-CA-C 109.316 -0.624 . . . . 129.24 109.316 168.467 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 53.2 tp -76.64 146.63 38.06 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 107.873 -1.158 . . . . 198.46 107.873 178.55 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -132.58 -174.85 3.57 Favored 'General case' 0 C--O 1.215 -0.724 0 N-CA-C 108.118 -1.068 . . . . 112.84 108.118 174.621 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.03 140.56 5.39 Favored 'General case' 0 C--O 1.244 0.806 0 C-N-CA 116.376 -2.129 . . . . 106.5 108.016 175.061 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -149.66 167.05 27.48 Favored 'General case' 0 C--O 1.223 -0.342 0 O-C-N 126.115 2.135 . . . . 126.33 108.927 173.669 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.7 mtp-105 -116.64 155.49 28.69 Favored 'General case' 0 N--CA 1.451 -0.397 0 O-C-N 124.243 0.964 . . . . 213.88 109.944 -173.032 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.5 t -135.09 124.51 16.48 Favored Pre-proline 0 C--O 1.24 0.558 0 N-CA-C 107.133 -1.432 . . . . 117.95 107.133 -177.014 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -78.11 165.74 25.61 Favored 'Trans proline' 0 C--N 1.351 0.675 0 CA-C-N 119.038 0.692 . . . . 102.24 112.625 -176.782 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.401 HG12 HD23 ' A' ' 31' ' ' LEU . 5.1 m -120.84 160.37 21.73 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 N-CA-C 108.736 -0.838 . . . . 147.25 108.736 171.728 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 47.7 mttt -71.81 -178.07 2.17 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 125.521 1.763 . . . . 320.0 110.257 177.563 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.03 -27.97 60.28 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.06 -1.427 . . . . 174.14 108.907 168.897 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -70.36 -48.88 54.29 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 109.625 -0.509 . . . . 165.61 109.625 -174.974 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 139.77 -2.58 2.47 Favored Glycine 0 C--N 1.347 1.169 0 CA-C-O 119.19 -0.783 . . . . 110.05 114.329 169.043 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -93.06 159.47 15.29 Favored 'General case' 0 C--O 1.217 -0.656 0 C-N-CA 119.09 -1.044 . . . . 282.91 111.175 179.271 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.401 HD23 HG12 ' A' ' 25' ' ' VAL . 66.1 mt -67.64 143.84 55.81 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 122.885 0.474 . . . . 238.9 109.956 -179.169 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -98.28 44.46 1.04 Allowed 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 118.833 -1.147 . . . . 200.14 111.658 -172.327 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.5 pp -156.76 171.86 19.63 Favored 'General case' 0 C--O 1.22 -0.497 0 C-N-CA 123.118 0.567 . . . . 252.08 111.265 165.259 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.0 pm0 -131.97 177.95 7.15 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.83 -0.623 . . . . 292.22 109.575 178.515 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 78.3 mmm -63.71 -40.63 97.24 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.381 0.61 . . . . 160.86 112.085 -168.535 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.37 -26.8 63.88 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 117.812 -1.555 . . . . 180.52 108.91 -179.765 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.89 -17.84 77.94 Favored Glycine 0 C--N 1.346 1.105 0 C-N-CA 124.323 0.963 . . . . 115.12 111.593 172.12 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 58.4 tp -97.18 -43.34 7.41 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 119.661 -0.816 . . . . 213.1 110.699 -176.593 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 42.1 mtpt -72.48 -26.35 61.77 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 119.475 -0.89 . . . . 217.05 110.214 -171.69 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -84.21 -14.5 49.85 Favored 'General case' 0 N--CA 1.454 -0.266 0 O-C-N 121.382 -0.824 . . . . 363.26 109.552 175.522 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 44.0 tptt -78.68 -36.84 43.1 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 112.076 0.399 . . . . 248.61 112.076 171.899 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 89.7 mt -65.79 -35.32 74.89 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.685 0 C-N-CA 123.327 0.651 . . . . 173.51 110.128 174.696 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.68 -14.36 62.01 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-O 120.715 0.293 . . . . 120.45 111.076 -179.358 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.42 -34.46 47.92 Favored 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 122.023 -0.423 . . . . 159.81 110.905 174.553 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.9 mt -75.18 -38.64 60.75 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 119.624 -0.83 . . . . 156.53 109.706 -172.919 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -103.11 -0.51 30.53 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 114.575 1.324 . . . . 109.55 114.575 -165.829 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 53.05 42.19 32.21 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 124.391 1.076 . . . . 342.52 111.815 -173.373 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 84.2 mt -86.44 149.49 24.96 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 108.369 -0.975 . . . . 238.83 108.369 174.856 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 67.0 m -69.16 127.99 35.06 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.274 -0.875 . . . . 345.59 109.132 169.771 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.8 -18.87 62.73 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 116.105 -0.498 . . . . 384.27 111.634 -167.612 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 41.2 p-10 -76.41 -15.61 59.89 Favored 'General case' 0 N--CA 1.453 -0.279 0 O-C-N 123.062 0.226 . . . . 440.0 110.941 -178.427 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.24 153.85 42.91 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 121.537 0.685 . . . . 255.36 110.179 178.881 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -79.99 139.5 36.98 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 114.87 -1.059 . . . . 440.0 110.415 178.024 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.6 mt -115.25 135.36 54.24 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 109.284 -0.635 . . . . 145.43 109.284 173.722 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 33.4 t -116.36 98.52 6.63 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.894 1.371 . . . . 232.85 109.179 174.048 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 82.8 mt -103.38 125.69 50.13 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 107.863 -1.162 . . . . 119.35 107.863 -167.406 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 80.8 p -133.79 120.46 20.53 Favored 'General case' 0 N--CA 1.447 -0.608 0 O-C-N 123.314 0.384 . . . . 90.65 111.587 179.731 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 35.5 p90 -91.03 -169.03 2.22 Favored 'General case' 0 C--O 1.197 -1.686 0 CA-C-N 115.968 -0.56 . . . . 82.65 110.137 -177.107 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.4 m -116.64 133.64 55.78 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.316 1.047 . . . . 109.8 111.858 176.764 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.761 ' OD1' ' N ' ' A' ' 61' ' ' GLU . 63.0 t0 -78.91 -176.78 5.19 Favored 'General case' 0 N--CA 1.439 -1.016 0 N-CA-C 106.869 -1.53 . . . . 195.03 106.869 -176.067 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.761 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 19.8 pt-20 -71.87 -41.86 67.53 Favored 'General case' 0 C--N 1.347 0.494 0 O-C-N 123.786 0.679 . . . . 307.36 109.641 175.085 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 55.2 p-10 -107.19 30.05 6.56 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 122.754 0.422 . . . . 271.04 111.068 -175.292 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 91.47 13.21 58.73 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 124.585 1.088 . . . . 205.05 115.617 152.988 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -77.19 163.07 26.89 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 118.327 1.063 . . . . 286.93 110.7 175.392 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 86.2 t -103.16 87.63 1.18 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-O 121.932 0.872 . . . . 177.15 109.953 173.632 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.5 t -81.33 158.24 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 108.984 -0.747 . . . . 72.09 108.984 -171.448 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -96.33 152.06 18.94 Favored 'General case' 0 C--O 1.212 -0.869 0 N-CA-C 113.721 1.008 . . . . 70.87 113.721 171.327 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 48.9 mt -111.3 129.95 55.82 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 124.679 1.192 . . . . 98.99 110.089 170.083 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.4 m -137.87 -25.57 0.41 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.292 0 CA-C-N 115.736 -0.665 . . . . 288.45 110.211 -173.419 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 28.9 p-10 -154.32 172.91 16.92 Favored 'General case' 0 CA--C 1.514 -0.441 0 C-N-CA 119.037 -1.065 . . . . 311.43 109.822 -163.245 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -85.07 3.0 40.85 Favored 'General case' 0 N--CA 1.454 -0.257 0 O-C-N 125.075 1.484 . . . . 240.79 110.829 178.838 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -79.91 -35.42 37.89 Favored 'General case' 0 N--CA 1.452 -0.328 0 O-C-N 123.924 0.765 . . . . 300.62 110.771 173.449 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -88.61 -12.62 42.11 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-O 121.008 0.433 . . . . 188.23 112.113 -178.864 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.9 mp -76.09 -23.34 54.96 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 119.656 -0.818 . . . . 191.79 110.779 170.194 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -68.61 -32.28 72.04 Favored 'General case' 0 N--CA 1.44 -0.969 0 C-N-CA 119.62 -0.832 . . . . 373.06 110.106 172.807 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -72.96 -22.07 60.76 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 116.289 -0.414 . . . . 135.75 112.045 -172.64 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 40.7 t -67.91 -28.84 42.81 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.396 0 CA-C-O 118.744 -0.645 . . . . 104.5 112.398 -178.677 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 81.4 p -70.64 -46.42 63.33 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 123.601 0.563 . . . . 138.06 110.822 176.0 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -76.54 -14.91 59.98 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 123.429 0.456 . . . . 184.6 112.09 -177.636 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.424 HE21 ' CG ' ' A' ' 61' ' ' GLU . 61.4 tp60 -70.9 -26.78 63.37 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.135 -0.691 . . . . 148.87 109.135 -177.807 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 36.9 ttm105 60.25 66.53 0.95 Allowed 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.024 1.33 . . . . 440.0 111.639 178.091 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.6 tp -106.38 147.85 28.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.26 -1.337 . . . . 198.55 108.514 -178.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.61 -38.63 58.86 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.788 0.662 . . . . 440.0 112.788 -172.368 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.532 ' HD2' ' HG3' ' A' ' 11' ' ' LYS . 16.2 p90 -156.27 135.74 12.33 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 107.58 -1.267 . . . . 128.5 107.58 166.989 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 35.9 tp -81.81 145.78 30.25 Favored 'General case' 0 C--O 1.249 1.034 0 N-CA-C 109.675 -0.491 . . . . 137.66 109.675 -175.259 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -127.67 120.01 27.12 Favored 'General case' 0 C--N 1.349 0.574 0 C-N-CA 118.723 -1.191 . . . . 366.82 112.421 173.96 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.485 ' HB ' HG12 ' A' ' 12' ' ' VAL . 70.4 mt -115.72 122.83 70.28 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.795 0 N-CA-C 113.411 0.893 . . . . 132.88 113.411 -174.236 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -94.87 142.44 27.47 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.262 0.553 . . . . 131.37 110.842 -177.544 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 63.9 t -103.46 132.21 50.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 107.221 -1.4 . . . . 110.34 107.221 -179.38 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 -129.11 118.24 22.14 Favored 'General case' 0 N--CA 1.448 -0.55 0 O-C-N 125.176 1.548 . . . . 143.04 110.266 163.226 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -116.83 164.97 13.86 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 126.389 2.306 . . . . 289.45 110.606 -177.657 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.957 0 CA-C-O 117.597 -1.669 . . . . 424.25 112.952 175.132 . . . . . . . . 0 0 . 1 stop_ save_