data_6vit_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 6vit _Structure_validation_residue.Date_analyzed 2020-08-14 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' ' ' THR . . . . . . . . . . . . . 11.7 t . . . . . 0 CA--C 1.547 0.835 0 N-CA-C 112.342 0.497 . . . . 72.37 112.342 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ARG . . . . . 0.627 ' NH2' ' O ' ' B' ' 90' ' ' GLY . 14.2 mtt180 -97.1 -1.02 46.09 Favored 'General case' 0 C--N 1.342 0.279 0 C-N-CA 123.621 0.769 . . . . 60.28 112.538 178.399 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -88.79 103.1 15.66 Favored 'General case' 0 C--O 1.241 0.63 0 N-CA-C 106.806 -1.553 . . . . 79.67 106.806 -177.524 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -110.45 14.5 22.54 Favored 'General case' 0 C--N 1.343 0.311 0 C-N-CA 124.666 1.186 . . . . 64.41 112.677 -174.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -63.2 158.14 20.77 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 119.527 -0.869 . . . . 58.85 109.367 175.381 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 117.28 173.73 16.64 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-O 122.134 0.852 . . . . 62.77 112.791 174.654 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.99 120.18 40.0 Favored 'General case' 0 C--O 1.24 0.598 0 C-N-CA 125.054 1.342 . . . . 63.61 109.914 179.601 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -117.1 114.89 24.37 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 123.185 0.594 . . . . 66.92 109.659 -176.369 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -98.84 128.98 45.2 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 119.41 -0.916 . . . . 85.13 109.241 179.564 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 35.6 ttm -60.95 137.24 58.24 Favored 'General case' 0 CA--C 1.514 -0.419 0 O-C-N 123.501 0.501 . . . . 66.37 109.85 -176.211 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -122.2 -19.93 6.37 Favored 'General case' 0 C--O 1.243 0.754 0 N-CA-C 114.144 1.165 . . . . 64.3 114.144 179.376 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.9 p -153.56 136.54 15.47 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 124.421 1.088 . . . . 62.86 108.614 174.943 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ASN . . . . . 0.447 ' ND2' ' SG ' ' B' ' 126' ' ' CYS . 3.7 t-20 -147.36 123.6 10.88 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 108.677 -0.861 . . . . 67.91 108.677 178.868 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.28 143.77 51.17 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 123.595 0.559 . . . . 86.92 111.023 -170.155 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 41.5 t-20 57.6 27.57 14.37 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 124.986 1.315 . . . . 76.15 112.603 -174.495 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -59.94 -37.41 79.43 Favored 'General case' 0 CA--C 1.514 -0.41 0 C-N-CA 119.849 -0.74 . . . . 63.79 110.454 172.427 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -57.61 -46.63 83.84 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.34 -0.391 . . . . 69.79 110.797 -179.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -66.78 -48.75 59.66 Favored Glycine 0 C--N 1.334 0.444 0 C-N-CA 120.351 -0.928 . . . . 70.97 113.67 179.784 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -53.35 -36.75 61.67 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 122.117 -0.637 . . . . 67.93 110.981 177.776 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 70.2 mtm -72.61 -32.47 65.97 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 122.474 0.31 . . . . 63.25 111.821 175.201 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 24' ' ' ASP . 27.7 mttm -63.86 -56.09 17.96 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 118.499 -1.28 . . . . 77.12 110.556 175.898 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.93 -14.98 10.65 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 113.267 0.84 . . . . 67.15 113.267 -178.85 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.6 mt -89.33 -4.41 58.1 Favored 'General case' 0 C--O 1.238 0.463 0 N-CA-C 113.152 0.797 . . . . 68.74 113.152 169.597 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 21' ' ' LYS . 45.7 m-20 69.79 34.01 2.74 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.322 0.649 . . . . 73.36 112.717 175.655 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.4 mm -70.17 143.75 14.41 Favored 'Isoleucine or valine' 0 C--O 1.24 0.553 0 O-C-N 121.673 -0.642 . . . . 66.14 109.636 166.545 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -69.14 157.18 37.39 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 117.485 -1.686 . . . . 64.79 109.912 177.85 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -62.92 -35.88 81.54 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-N 114.854 -1.066 . . . . 66.52 111.809 -175.184 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.5 -48.2 82.56 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 119.997 -0.681 . . . . 69.53 110.478 -178.665 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 35.5 m -64.4 -35.91 82.42 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 116.006 -0.543 . . . . 65.52 111.587 179.703 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 57.7 mtm-85 -63.39 -49.09 75.16 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.624 -0.43 . . . . 71.92 111.327 -177.479 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.7 mmtm -68.8 -7.89 38.29 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 112.682 0.623 . . . . 65.9 112.682 -177.398 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 35' ' ' ARG . 2.5 m -88.51 -60.31 2.0 Allowed 'General case' 0 C--O 1.235 0.314 0 C-N-CA 124.559 1.144 . . . . 102.91 110.96 170.295 -88.306 -89.911 -173.6 105.249 2.039 102.203 69.535 -147.976 2 2 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.08 -24.87 7.5 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 112.788 0.662 . . . . 62.62 112.788 -171.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.2 p -80.65 -3.53 6.57 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.459 0 C-N-CA 120.254 -0.578 . . . . 63.42 112.434 177.052 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 32' ' ' CYS . 10.5 mtt180 -95.73 -16.62 21.83 Favored 'General case' 0 C--O 1.24 0.565 0 N-CA-C 113.456 0.91 . . . . 73.83 113.456 172.807 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -78.33 140.15 38.79 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 120.977 0.418 . . . . 61.11 110.529 -179.085 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.7 m -76.28 152.79 36.37 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.427 -0.953 . . . . 64.72 108.427 163.98 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -121.09 145.64 47.58 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 109.404 -0.591 . . . . 60.17 109.404 177.137 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.3 m -137.74 121.66 17.71 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.724 -0.671 . . . . 65.58 109.947 177.673 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.1 mttp -107.78 136.13 48.03 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 123.239 0.615 . . . . 59.56 110.017 -176.361 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.1 t -126.36 111.85 27.8 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.626 0 N-CA-C 106.955 -1.498 . . . . 62.92 106.955 178.044 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 25.1 mt -110.13 132.12 59.29 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 N-CA-C 107.8 -1.185 . . . . 63.6 107.8 -175.483 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -121.1 118.26 29.29 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 107.344 -1.354 . . . . 75.2 107.344 176.499 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -123.0 143.89 49.63 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-O 121.444 0.64 . . . . 64.24 109.784 -166.996 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -136.16 64.59 1.55 Allowed 'General case' 0 N--CA 1.439 -1.001 0 N-CA-C 104.756 -2.313 . . . . 62.43 104.756 -172.874 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 72.46 -93.14 0.61 Allowed Glycine 0 N--CA 1.438 -1.185 0 C-N-CA 117.275 -2.393 . . . . 59.34 108.137 -170.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -116.91 10.48 14.1 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 114.0 1.111 . . . . 62.9 114.0 177.383 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -102.84 117.91 35.66 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 108.18 -1.045 . . . . 61.16 108.18 177.55 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -112.02 146.65 37.52 Favored 'General case' 0 C--N 1.344 0.363 0 C-N-CA 124.646 1.178 . . . . 68.16 110.968 -172.961 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -140.63 87.73 2.14 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 105.012 -2.218 . . . . 73.34 105.012 172.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -115.8 136.44 53.05 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 119.536 -0.866 . . . . 73.1 111.459 -178.983 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.7 mttp -128.42 116.97 20.56 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 115.213 -0.903 . . . . 81.32 108.928 -175.967 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.7 m -94.62 154.69 17.23 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.94 0.896 . . . . 66.38 109.4 177.595 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -147.46 121.19 9.23 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.084 -0.71 . . . . 67.65 109.084 -177.308 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.44 112.47 24.38 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.841 -0.429 . . . . 59.84 109.841 177.032 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.14 113.44 21.58 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 120.874 0.368 . . . . 59.95 110.097 -173.247 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -55.63 -92.06 0.0 OUTLIER 'General case' 0 C--O 1.234 0.264 0 C-N-CA 127.055 2.142 . . . . 76.24 115.581 179.406 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -138.83 169.48 17.71 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 107.782 -1.192 . . . . 83.58 107.782 172.709 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 23.5 p30 -153.43 148.61 26.87 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 119.991 -0.684 . . . . 85.17 109.573 -177.759 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -120.08 134.74 55.17 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 108.536 -0.913 . . . . 92.59 108.536 -177.296 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -112.93 117.02 30.92 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 106.121 -1.807 . . . . 81.74 106.121 172.198 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -123.04 122.86 66.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 107.298 -1.371 . . . . 86.86 107.298 172.916 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -126.38 119.69 27.92 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 106.413 -1.699 . . . . 92.42 106.413 -175.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -147.22 -164.33 1.97 Allowed 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 119.482 -0.887 . . . . 83.61 109.329 -167.215 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 64.0 m -143.73 138.25 28.7 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 124.739 1.216 . . . . 85.87 108.553 174.176 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.5 t -65.33 154.89 7.09 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.236 0 CA-C-O 121.421 0.629 . . . . 84.1 109.893 179.836 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 76.2 -26.22 1.54 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 121.104 -0.569 . . . . 94.21 113.368 -177.632 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -87.02 144.75 8.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-O 122.528 1.156 . . . . 99.0 109.121 175.881 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.12 134.32 41.35 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 106.544 -1.651 . . . . 106.96 106.544 169.588 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -142.81 173.11 11.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.539 0.685 . . . . 95.11 110.591 -172.04 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ASP . . . . . 0.428 ' OD1' ' CE1' ' A' ' 81' ' ' HIS . 31.0 t0 -92.36 121.86 34.26 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 115.499 -0.773 . . . . 112.47 110.921 -176.327 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -118.49 112.36 19.83 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 107.997 -1.112 . . . . 100.6 107.997 177.548 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' TYR . . . . . 0.534 ' O ' ' N ' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -96.82 99.2 10.79 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 108.186 -1.042 . . . . 116.89 108.186 172.035 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.6 p -72.15 51.6 0.24 Allowed 'General case' 0 C--O 1.235 0.293 0 C-N-CA 119.776 -0.769 . . . . 90.27 110.756 -171.609 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' LYS . . . . . 0.534 ' N ' ' O ' ' A' ' 73' ' ' TYR . 0.6 OUTLIER -53.32 156.33 2.41 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 106.984 -1.488 . . . . 90.26 106.984 167.051 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 10.0 p 73.62 -0.37 3.39 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 123.333 0.653 . . . . 92.74 112.425 -177.259 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -127.52 -80.69 0.6 Allowed 'General case' 0 C--O 1.236 0.377 0 CA-C-N 119.073 0.851 . . . . 86.54 110.947 173.461 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ASP . . . . . 0.468 ' OD2' ' NH1' ' A' ' 80' ' ' ARG . 8.3 p30 -136.21 14.21 3.28 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.677 -0.692 . . . . 89.34 110.593 175.806 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 45.11 33.11 1.02 Allowed 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 123.945 0.898 . . . . 97.68 111.191 179.691 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ARG . . . . . 0.506 ' NH1' ' O ' ' B' ' 23' ' ' LEU . 60.9 mtt85 -84.79 173.29 10.77 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 117.471 -1.691 . . . . 91.23 109.366 179.114 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' HIS . . . . . 0.428 ' CE1' ' OD1' ' A' ' 71' ' ' ASP . 0.3 OUTLIER -120.78 126.01 49.04 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.312 -0.858 . . . . 113.24 108.87 -175.738 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.08 156.33 39.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-O 121.765 0.793 . . . . 97.9 109.811 179.171 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 35.9 tttm -96.84 114.68 26.32 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 114.734 -1.121 . . . . 97.42 108.213 165.35 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -104.57 121.51 43.66 Favored 'General case' 0 C--O 1.238 0.475 0 N-CA-C 109.716 -0.476 . . . . 95.77 109.716 -174.116 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.0 tp -118.71 124.65 47.83 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 107.69 -1.226 . . . . 93.39 107.69 177.488 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.8 t -114.29 133.2 61.1 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 N-CA-C 108.963 -0.755 . . . . 89.24 108.963 -173.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.33 152.07 40.22 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 123.591 0.757 . . . . 86.2 109.455 -177.662 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -87.72 138.77 31.18 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.415 -0.357 . . . . 79.98 111.073 176.686 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -127.6 83.59 2.18 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 108.992 -0.744 . . . . 92.1 108.992 170.73 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' GLY . . . . . 0.552 ' O ' ' NH2' ' B' ' 2' ' ' ARG . . . 84.99 -119.29 4.98 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 108.846 -1.701 . . . . 81.89 108.846 -169.733 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -104.5 8.1 35.47 Favored 'General case' 0 C--O 1.241 0.645 0 C-N-CA 123.37 0.668 . . . . 79.31 112.0 174.258 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 53.7 t -104.1 123.77 58.09 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 C-N-CA 124.28 1.032 . . . . 77.96 109.499 -170.377 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.1 tp -83.87 117.33 23.25 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 123.902 0.881 . . . . 78.45 110.283 -178.589 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 10.1 t -123.12 128.93 75.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 C-N-CA 123.605 0.762 . . . . 87.81 110.003 -170.392 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 9.2 t -124.41 146.79 48.68 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 106.869 -1.53 . . . . 84.54 106.869 175.901 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 27.5 m -126.63 133.68 68.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 106.537 -1.653 . . . . 83.24 106.537 170.576 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 104' ' ' ARG . 47.6 mt-30 -103.16 101.55 11.51 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.37 -0.604 . . . . 95.59 109.37 -179.638 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -75.76 114.53 14.46 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.196 -0.911 . . . . 98.29 108.996 177.216 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 176.5 -148.92 9.37 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 119.78 -1.2 . . . . 91.39 111.497 -176.068 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -55.69 -48.2 75.5 Favored 'General case' 0 C--O 1.235 0.316 0 O-C-N 123.97 0.453 . . . . 98.3 111.296 -171.059 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -94.93 145.18 25.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.581 0.705 . . . . 93.75 110.817 -176.26 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.76 151.08 22.63 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.765 -0.828 . . . . 110.21 108.765 173.34 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 49.9 m-20 63.94 25.38 13.92 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.428 0.691 . . . . 102.98 112.085 -178.639 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 97' ' ' GLN . 37.7 ttt180 -86.45 107.03 17.88 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 106.662 -1.606 . . . . 88.3 106.662 174.674 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -166.2 179.79 40.08 Favored Glycine 0 N--CA 1.449 -0.495 0 N-CA-C 108.426 -1.87 . . . . 86.77 108.426 178.39 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 58.5 p-90 -152.79 159.52 43.08 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.92 -0.77 . . . . 75.77 108.92 178.193 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -129.26 135.1 48.35 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 123.737 0.815 . . . . 74.73 109.806 176.458 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -135.99 136.55 40.43 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.382 -0.527 . . . . 74.21 110.12 179.404 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 11.4 p90 -159.14 161.42 36.29 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 121.711 0.767 . . . . 70.73 112.202 -178.714 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 6.6 mm -105.42 128.4 59.46 Favored 'Isoleucine or valine' 0 C--O 1.239 0.501 0 CA-C-N 115.602 -0.726 . . . . 76.85 109.221 -177.84 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -131.98 90.45 2.82 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 125.246 1.419 . . . . 77.21 108.417 176.105 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 78.65 -114.34 3.9 Favored Glycine 0 N--CA 1.443 -0.869 0 N-CA-C 108.89 -1.684 . . . . 83.45 108.89 179.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -116.06 16.61 16.02 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 119.365 -0.934 . . . . 91.4 112.687 -179.565 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 73.2 mttt -120.91 138.18 54.23 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 107.393 -1.336 . . . . 78.45 107.393 177.618 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.0 tt -101.94 126.62 48.89 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 108.866 -0.79 . . . . 67.63 108.866 177.213 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -104.13 123.87 48.05 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.633 -0.506 . . . . 68.12 109.633 -174.023 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 39.3 tp -123.23 122.88 39.49 Favored 'General case' 0 C--O 1.239 0.539 0 N-CA-C 106.534 -1.654 . . . . 69.85 106.534 176.165 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -107.84 131.98 53.91 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 105.502 -2.036 . . . . 81.59 105.502 174.606 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 126' ' ' CYS . 9.7 mt -122.24 125.46 46.11 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 106.9 -1.518 . . . . 72.01 106.9 178.989 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.35 132.81 45.99 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.473 -0.566 . . . . 84.76 109.473 -174.48 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 18.5 t -142.93 128.33 18.91 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 109.295 -0.631 . . . . 78.58 109.295 167.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 65.94 -125.06 27.12 Favored Glycine 0 CA--C 1.522 0.5 0 CA-C-O 121.732 0.629 . . . . 85.88 112.209 -176.604 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 23.6 p-10 -101.07 17.22 22.97 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 122.992 0.517 . . . . 99.44 111.799 175.698 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 41.6 mm-40 -106.89 131.21 54.23 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 124.595 1.158 . . . . 87.33 109.127 -176.373 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 27.4 t -119.96 122.77 69.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 N-CA-C 107.586 -1.264 . . . . 86.55 107.586 177.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' CYS . . . . . 0.461 ' N ' ' O ' ' A' ' 119' ' ' LEU . 44.8 t -106.09 131.59 53.18 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 109.611 -0.515 . . . . 73.09 109.611 178.187 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 5.9 mtm-85 -113.08 113.94 26.13 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.283 -0.636 . . . . 91.6 109.283 -176.658 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . . . -112.62 138.77 48.92 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 108.647 -0.871 . . . . 67.83 108.647 179.611 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 79.8 t -136.24 126.41 40.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 C-N-CA 123.132 0.573 . . . . 72.33 109.862 -174.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -127.98 132.89 49.15 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 109.449 -0.575 . . . . 71.4 109.449 -174.463 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 5.6 pttm -99.17 151.2 21.26 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.574 -0.898 . . . . 85.35 108.574 169.866 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -62.82 178.14 0.49 Allowed 'General case' 0 C--O 1.233 0.236 0 C-N-CA 119.641 -0.824 . . . . 79.12 111.58 -176.745 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 2.6 mttm . . . . . 0 C--N 1.324 -0.512 0 O-C-N 121.905 -0.497 . . . . 83.95 111.768 -172.9 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 CA--C 1.537 0.47 0 CA-C-O 122.235 1.017 . . . . 75.17 113.344 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' ARG . . . . . 0.552 ' NH2' ' O ' ' A' ' 90' ' ' GLY . 16.8 mtt180 -94.75 3.46 55.0 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 125.365 1.466 . . . . 78.05 112.588 178.768 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -85.12 107.09 17.04 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 109.2 -0.667 . . . . 90.62 109.2 -175.76 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -113.37 11.83 18.65 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 114.149 1.166 . . . . 76.96 114.149 -173.644 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -64.74 162.11 16.61 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 119.226 0.921 . . . . 78.85 110.874 177.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 117.34 173.31 16.42 Favored Glycine 0 CA--C 1.525 0.67 0 CA-C-O 121.721 0.623 . . . . 73.7 112.071 175.328 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 55.1 m -101.24 121.95 42.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.622 -0.789 . . . . 68.34 109.39 179.471 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' TRP . . . . . . . . . . . . . 39.4 m95 -113.02 120.06 40.04 Favored 'General case' 0 CA--C 1.507 -0.696 0 C-N-CA 123.295 0.638 . . . . 66.62 110.312 -173.472 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -98.76 124.48 43.65 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.876 -0.787 . . . . 82.05 108.876 174.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 36.3 ttm -64.97 138.58 58.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.853 0.359 . . . . 68.91 110.72 178.341 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -122.16 -18.2 6.95 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 114.089 1.144 . . . . 81.04 114.089 178.28 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 4.7 p -152.22 137.83 17.81 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 107.354 -1.351 . . . . 69.9 107.354 173.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -148.66 118.15 6.96 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 107.112 -1.44 . . . . 79.16 107.112 -178.846 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -126.75 149.94 49.36 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 120.896 0.379 . . . . 87.3 110.591 -168.159 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 56.02 26.95 10.59 Favored 'General case' 0 CA--C 1.516 -0.347 0 C-N-CA 123.911 0.884 . . . . 82.95 111.166 -175.823 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -61.95 -41.73 98.31 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 118.775 -1.17 . . . . 73.33 109.646 173.3 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -59.59 -44.08 93.48 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 120.903 -0.319 . . . . 74.05 111.061 179.667 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.07 -49.92 63.87 Favored Glycine 0 C--N 1.336 0.547 0 C-N-CA 120.046 -1.073 . . . . 73.97 112.495 179.578 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -54.16 -40.63 67.64 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 117.052 0.426 . . . . 69.56 111.316 177.298 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 54.7 mtm -72.94 -34.75 66.74 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 120.924 -0.31 . . . . 75.75 111.256 179.653 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.97 -52.98 62.72 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 121.266 0.555 . . . . 72.97 110.934 178.263 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.02 -15.99 27.17 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 112.222 0.453 . . . . 75.94 112.222 176.091 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' LEU . . . . . 0.506 ' O ' ' NH1' ' A' ' 80' ' ' ARG . 12.8 mt -86.71 -5.05 59.23 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 118.743 0.701 . . . . 74.7 111.772 172.525 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 66.5 27.25 9.79 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 124.384 1.073 . . . . 82.93 111.977 179.626 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -66.42 141.64 17.76 Favored 'Isoleucine or valine' 0 C--O 1.243 0.715 0 N-CA-C 106.227 -1.768 . . . . 77.38 106.227 169.265 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -66.94 159.31 28.74 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 121.989 0.9 . . . . 75.53 111.555 -175.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -61.62 -38.09 86.35 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 114.646 -1.161 . . . . 77.75 111.747 -172.339 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.27 -50.35 72.07 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 120.028 -0.669 . . . . 78.65 110.704 179.863 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 33.4 m -62.07 -35.54 78.95 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 120.922 -0.311 . . . . 62.7 111.169 -179.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 48.7 mtm-85 -65.05 -48.88 72.24 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 119.439 -0.904 . . . . 72.97 111.277 -178.194 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 mmtm -66.82 -5.3 11.76 Favored 'General case' 0 C--O 1.238 0.485 0 O-C-N 122.098 -0.376 . . . . 74.37 111.79 -175.373 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' CYS . . . . . 0.4 ' O ' ' N ' ' B' ' 35' ' ' ARG . 1.4 t -89.06 -70.34 0.66 Allowed 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 122.572 0.349 . . . . 82.47 110.938 174.076 -147.976 69.535 -173.6 102.203 2.039 105.249 -89.911 -88.306 2 2 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.7 -15.84 1.4 Allowed 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 113.786 1.032 . . . . 64.49 113.786 -171.597 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 3.3 m -75.86 -2.09 3.87 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 O-C-N 121.354 -0.841 . . . . 73.21 111.153 174.342 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' B' ' 32' ' ' CYS . 10.7 mtt180 -97.71 -18.16 19.0 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 112.037 0.384 . . . . 77.07 112.037 169.817 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 36.5 mt -73.35 134.12 44.02 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 109.081 -0.711 . . . . 57.54 109.081 -173.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' THR . . . . . 0.437 ' O ' ' N ' ' B' ' 56' ' ' THR . 19.6 m -82.68 148.28 28.01 Favored 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 107.848 -1.167 . . . . 63.81 107.848 163.167 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -123.34 143.49 50.06 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 119.277 -0.969 . . . . 57.05 111.799 -177.8 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 16.7 m -133.48 121.58 22.4 Favored 'General case' 0 CA--C 1.519 -0.234 0 C-N-CA 124.023 0.929 . . . . 59.27 108.942 -175.37 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 10.6 tttp -109.9 137.5 47.6 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.813 -0.44 . . . . 67.38 109.813 -174.105 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 4.0 t -127.83 115.29 38.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 108.416 -0.957 . . . . 68.41 108.416 176.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 53.0 mt -107.83 132.55 55.17 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 C-N-CA 124.22 1.008 . . . . 72.21 109.621 -169.675 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -122.74 113.62 19.43 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 108.878 -0.786 . . . . 90.37 108.878 178.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -124.75 140.86 52.55 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 122.965 0.506 . . . . 79.92 111.376 -169.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -142.51 69.62 1.32 Allowed 'General case' 0 C--N 1.347 0.474 0 CA-C-O 123.088 1.423 . . . . 92.82 108.651 -178.375 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.85 -97.01 1.34 Allowed Glycine 0 N--CA 1.449 -0.462 0 O-C-N 120.911 -1.118 . . . . 80.58 113.522 -172.679 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -110.03 8.32 24.0 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 117.697 0.749 . . . . 89.64 111.843 178.194 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -109.22 122.77 48.03 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.421 -0.585 . . . . 93.7 109.421 -175.029 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -115.8 148.93 39.32 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.608 0.718 . . . . 71.65 112.435 -175.869 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -139.02 94.43 2.81 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 106.086 -1.82 . . . . 91.61 106.086 178.603 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -109.65 136.65 48.67 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 117.924 0.329 . . . . 75.88 111.274 -175.754 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 21.3 mttp -134.8 112.26 10.57 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 108.845 -0.798 . . . . 81.53 108.845 -177.941 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.8 m -97.21 168.84 10.19 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 126.259 1.824 . . . . 66.62 110.294 -178.099 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -141.15 -48.8 0.41 Allowed 'General case' 0 C--N 1.345 0.407 0 N-CA-C 120.351 3.463 . . . . 66.28 120.351 -175.88 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 67.52 107.51 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 120.986 1.721 . . . . 51.65 114.139 179.93 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' THR . . . . . 0.437 ' N ' ' O ' ' B' ' 37' ' ' THR . 53.6 m -125.04 107.6 10.98 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.494 -0.928 . . . . 57.3 108.494 -173.199 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -85.18 110.64 19.16 Favored 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 107.581 -1.266 . . . . 73.73 107.581 168.071 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 64.66 160.98 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 122.141 0.972 . . . . 81.1 112.931 172.881 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -164.0 142.62 7.52 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 105.203 -2.147 . . . . 76.23 105.203 -178.439 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -131.05 138.1 49.45 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 118.958 -1.097 . . . . 79.9 111.017 179.174 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -115.73 115.29 26.08 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 125.388 1.475 . . . . 77.51 108.048 170.096 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 1.6 p -126.0 117.36 48.67 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 N-CA-C 108.131 -1.063 . . . . 73.29 108.131 168.779 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -128.56 120.99 27.74 Favored 'General case' 0 CA--C 1.518 -0.252 0 C-N-CA 124.306 1.043 . . . . 84.92 108.461 -175.607 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -145.28 -164.3 1.91 Allowed 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.994 -0.743 . . . . 72.48 108.994 -166.139 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 52.6 m -142.33 138.91 31.59 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 125.521 1.528 . . . . 75.53 109.161 172.026 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 42.5 t -64.4 153.08 7.95 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 CA-C-O 121.501 0.667 . . . . 75.94 109.569 178.962 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' B' ' 86' ' ' VAL . . . 73.54 -28.96 0.87 Allowed Glycine 0 C--N 1.334 0.468 0 CA-C-N 115.83 -0.623 . . . . 76.45 113.313 -179.045 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 1.1 t -86.01 141.62 14.22 Favored 'Isoleucine or valine' 0 C--O 1.244 0.767 0 CA-C-O 122.159 0.98 . . . . 84.66 109.422 176.248 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -97.18 138.75 34.19 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.824 -1.08 . . . . 96.55 109.278 174.495 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -142.51 169.51 17.45 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 108.296 -1.002 . . . . 94.1 108.296 178.944 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.27 125.54 38.97 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.317 -0.856 . . . . 109.19 109.145 -178.711 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -114.32 119.19 36.12 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 108.092 -1.077 . . . . 91.66 108.092 179.299 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' TYR . . . . . 0.51 ' O ' ' N ' ' B' ' 75' ' ' LYS . 29.8 t80 -94.53 100.12 12.15 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 124.19 0.996 . . . . 91.06 108.878 172.506 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' THR . . . . . 0.478 ' OG1' ' OD1' ' B' ' 78' ' ' ASP . 19.9 p -69.81 53.67 0.12 Allowed 'General case' 0 C--O 1.235 0.298 0 N-CA-C 113.068 0.766 . . . . 81.79 113.068 -168.471 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' LYS . . . . . 0.51 ' N ' ' O ' ' B' ' 73' ' ' TYR . 16.5 ttpt -52.53 155.45 2.17 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 108.312 -0.995 . . . . 89.31 108.312 167.999 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 4.3 p 71.34 -2.09 2.53 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 124.697 1.199 . . . . 77.41 111.968 -177.031 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -129.28 -76.1 0.55 Allowed 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 118.786 -1.166 . . . . 77.28 109.749 173.559 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' ASP . . . . . 0.478 ' OD1' ' OG1' ' B' ' 74' ' ' THR . 5.1 p30 -133.31 11.28 4.16 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 113.62 0.971 . . . . 87.03 113.62 175.29 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 4.7 m120 47.94 36.63 6.38 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.746 0.818 . . . . 82.33 112.627 175.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -89.73 -177.86 5.37 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 126.828 2.051 . . . . 90.16 110.596 178.024 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -121.6 126.67 49.65 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 123.68 0.792 . . . . 97.53 110.83 179.941 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.18 155.19 34.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 N-CA-C 109.004 -0.739 . . . . 91.02 109.004 171.168 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -98.59 114.79 27.37 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 107.515 -1.291 . . . . 93.19 107.515 162.962 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -104.46 126.18 51.32 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 122.474 0.31 . . . . 86.59 111.094 -172.915 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 8.3 tp -116.57 122.81 45.74 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 108.064 -1.087 . . . . 80.96 108.064 178.17 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' VAL . . . . . 0.461 ' O ' ' N ' ' B' ' 67' ' ' GLY . 3.3 t -113.03 131.57 64.29 Favored 'Isoleucine or valine' 0 C--O 1.239 0.507 0 N-CA-C 108.792 -0.818 . . . . 75.17 108.792 -176.467 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 16.0 p -142.49 151.27 41.51 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.077 0.551 . . . . 64.4 110.089 -176.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' TRP . . . . . . . . . . . . . 90.3 m95 -84.3 144.34 28.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.338 0.589 . . . . 65.94 110.287 174.475 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -127.4 80.2 1.94 Allowed 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 104.388 -2.449 . . . . 77.35 104.388 163.519 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' GLY . . . . . 0.627 ' O ' ' NH2' ' A' ' 2' ' ' ARG . . . 82.88 -117.64 4.45 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 119.575 -1.298 . . . . 65.69 111.506 -174.401 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -101.44 7.18 42.64 Favored 'General case' 0 CA--C 1.515 -0.396 0 C-N-CA 123.685 0.794 . . . . 72.18 111.831 175.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 29.5 t -104.23 119.5 53.13 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.48 0 N-CA-C 107.844 -1.169 . . . . 64.01 107.844 -175.318 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 8.8 tp -83.6 121.15 26.86 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 107.81 -1.182 . . . . 62.03 107.81 178.589 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 4.6 t -121.02 127.44 75.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 110.294 -0.261 . . . . 67.6 110.294 -167.686 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' CYS . . . . . 0.51 ' SG ' ' N ' ' B' ' 96' ' ' VAL . 8.5 t -126.41 148.48 49.61 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 121.602 0.715 . . . . 69.02 110.909 175.573 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' VAL . . . . . 0.51 ' N ' ' SG ' ' B' ' 95' ' ' CYS . 20.7 m -127.9 132.46 68.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 N-CA-C 106.532 -1.655 . . . . 74.42 106.532 170.157 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' GLN . . . . . 0.562 ' N ' ' O ' ' B' ' 104' ' ' ARG . 51.1 mt-30 -106.19 94.19 5.03 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 105.198 -2.149 . . . . 82.3 105.198 176.308 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -78.09 119.14 21.08 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 107.195 -1.409 . . . . 91.68 107.195 178.415 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -178.46 -149.07 7.88 Favored Glycine 0 N--CA 1.443 -0.895 0 N-CA-C 109.55 -1.42 . . . . 90.82 109.55 -173.632 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -54.46 -49.14 70.76 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 120.977 0.418 . . . . 99.33 111.93 -167.081 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -93.99 156.6 16.52 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 122.254 1.026 . . . . 85.46 111.68 -169.715 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.13 148.85 29.4 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.723 -1.126 . . . . 108.13 109.792 174.706 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 37.4 m-20 62.61 25.01 14.9 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.448 1.099 . . . . 86.22 113.265 175.784 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' ARG . . . . . 0.562 ' O ' ' N ' ' B' ' 97' ' ' GLN . 39.2 ttt180 -82.33 104.17 12.44 Favored 'General case' 0 C--N 1.331 -0.225 0 O-C-N 120.339 -1.476 . . . . 84.77 109.99 -176.723 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . -168.4 -176.97 39.15 Favored Glycine 0 C--N 1.333 0.367 0 N-CA-C 110.4 -1.08 . . . . 73.61 110.4 -179.865 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' TRP . . . . . . . . . . . . . 42.4 p-90 -152.76 161.46 42.53 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 122.411 1.1 . . . . 64.48 112.03 178.281 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 75.9 mttt -124.18 136.3 54.09 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 113.985 -1.461 . . . . 61.25 108.589 177.857 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -133.13 133.65 43.17 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 107.831 -1.174 . . . . 60.51 107.831 177.573 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' TRP . . . . . . . . . . . . . 9.7 p90 -158.13 154.52 27.6 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 119.208 -0.997 . . . . 68.47 108.677 176.336 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 4.9 mm -106.44 137.0 39.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 108.244 -1.021 . . . . 71.06 108.244 -176.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -123.73 79.3 1.69 Allowed 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 107.235 -1.395 . . . . 87.1 107.235 170.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . 78.96 -105.67 2.26 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 118.888 -1.625 . . . . 66.99 116.74 177.563 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -100.08 3.89 44.28 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 125.788 1.635 . . . . 78.37 111.854 -175.198 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -133.74 140.9 47.27 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 122.582 0.353 . . . . 66.73 111.177 179.754 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 13.3 tp -100.38 128.52 46.43 Favored 'General case' 0 CA--C 1.514 -0.421 0 C-N-CA 124.341 1.057 . . . . 59.66 109.027 174.023 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -104.14 131.51 51.36 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 124.039 0.936 . . . . 65.25 109.032 -179.667 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 27.2 tp -123.12 128.63 50.35 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 108.522 -0.918 . . . . 55.32 108.522 174.915 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -115.07 127.45 55.63 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 108.373 -0.973 . . . . 81.93 108.373 171.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 119' ' ' LEU . . . . . 0.557 ' O ' ' N ' ' B' ' 126' ' ' CYS . 7.4 mt -120.39 127.15 52.02 Favored 'General case' 0 CA--C 1.513 -0.452 0 C-N-CA 123.896 0.879 . . . . 60.6 109.875 -177.046 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 120' ' ' THR . . . . . . . . . . . . . 12.7 p -131.52 135.59 47.18 Favored 'General case' 0 CA--C 1.515 -0.398 0 O-C-N 123.686 0.616 . . . . 68.78 110.083 -177.67 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 37.5 t -139.16 131.91 29.08 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 107.877 -1.157 . . . . 80.21 107.877 165.228 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 62.05 -122.3 28.17 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 118.662 -1.733 . . . . 84.12 109.872 -179.693 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 -101.35 6.35 42.66 Favored 'General case' 0 C--O 1.24 0.556 0 C-N-CA 124.184 0.994 . . . . 89.03 113.286 178.32 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 124' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -107.85 132.77 53.09 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 118.308 0.504 . . . . 87.52 111.366 -169.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -117.06 122.11 69.29 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 C-N-CA 124.16 0.984 . . . . 69.82 108.599 -176.215 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 126' ' ' CYS . . . . . 0.557 ' N ' ' O ' ' B' ' 119' ' ' LEU . 29.7 t -107.4 127.99 54.07 Favored 'General case' 0 C--O 1.239 0.537 0 N-CA-C 109.474 -0.565 . . . . 61.67 109.474 172.952 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 38.5 mtt-85 -115.28 112.99 23.26 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 108.964 -0.754 . . . . 86.07 108.964 -177.105 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -112.84 144.66 42.01 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 123.79 0.836 . . . . 62.15 109.011 -179.336 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 129' ' ' VAL . . . . . . . . . . . . . 82.8 t -134.52 126.63 48.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 109.445 -0.576 . . . . 60.61 109.445 -176.723 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -124.09 139.52 53.86 Favored 'General case' 0 CA--C 1.518 -0.272 0 C-N-CA 125.052 1.341 . . . . 62.71 110.551 -172.251 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -104.53 147.55 27.47 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 123.268 0.627 . . . . 70.95 110.857 170.162 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -177.38 0.46 Allowed 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.305 1.042 . . . . 82.23 110.495 -178.748 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.547 0 C-N-CA 119.366 -0.934 . . . . 81.86 112.804 -176.724 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 11.7 t . . . . . 0 CA--C 1.547 0.835 0 N-CA-C 112.342 0.497 . . . . 72.37 112.342 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ARG . . . . . 0.602 ' NH2' ' O ' ' B' ' 90' ' ' GLY . 14.2 mtt180 -97.1 -1.02 46.09 Favored 'General case' 0 C--N 1.342 0.279 0 C-N-CA 123.621 0.769 . . . . 60.28 112.538 178.399 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -88.79 103.1 15.66 Favored 'General case' 0 C--O 1.241 0.63 0 N-CA-C 106.806 -1.553 . . . . 79.67 106.806 -177.524 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLN . . . . . 0.437 ' HG2' HD11 ' B' ' 110' ' ' ILE . 53.3 mt-30 -110.45 14.5 22.54 Favored 'General case' 0 C--N 1.343 0.311 0 C-N-CA 124.666 1.186 . . . . 64.41 112.677 -174.657 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ASN . . . . . 0.441 ' OD1' ' HB3' ' A' ' 44' ' ' GLN . 4.6 m120 -63.2 158.14 20.77 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 119.527 -0.869 . . . . 58.85 109.367 175.381 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 117.28 173.73 16.64 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-O 122.134 0.852 . . . . 62.77 112.791 174.654 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' THR . . . . . 0.633 HG23 HG22 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -101.99 120.18 40.0 Favored 'General case' 0 C--O 1.24 0.598 0 C-N-CA 125.054 1.342 . . . . 63.61 109.914 179.601 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 8' ' ' TRP . . . . . 0.413 ' HB3' ' HB3' ' B' ' 130' ' ' PHE . 7.8 m95 -117.1 114.89 24.37 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 123.185 0.594 . . . . 66.92 109.659 -176.369 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -98.84 128.98 45.2 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 119.41 -0.916 . . . . 85.13 109.241 179.564 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' MET . . . . . 0.477 ' HE2' ' HB2' ' A' ' 13' ' ' ASN . 35.6 ttm -60.95 137.24 58.24 Favored 'General case' 0 CA--C 1.514 -0.419 0 O-C-N 123.501 0.501 . . . . 66.37 109.85 -176.211 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -122.2 -19.93 6.37 Favored 'General case' 0 C--O 1.243 0.754 0 N-CA-C 114.144 1.165 . . . . 64.3 114.144 179.376 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.9 p -153.56 136.54 15.47 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 124.421 1.088 . . . . 62.86 108.614 174.943 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ASN . . . . . 0.656 HD22 ' HG2' ' B' ' 128' ' ' GLN . 3.7 t-20 -147.36 123.6 10.88 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 108.677 -0.861 . . . . 67.91 108.677 178.868 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.28 143.77 51.17 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 123.595 0.559 . . . . 86.92 111.023 -170.155 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 41.5 t-20 57.6 27.57 14.37 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 124.986 1.315 . . . . 76.15 112.603 -174.495 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' PHE . . . . . 0.51 ' HB2' ' OD1' ' A' ' 13' ' ' ASN . 2.5 t80 -59.94 -37.41 79.43 Favored 'General case' 0 CA--C 1.514 -0.41 0 C-N-CA 119.849 -0.74 . . . . 63.79 110.454 172.427 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -57.61 -46.63 83.84 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.34 -0.391 . . . . 69.79 110.797 -179.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -66.78 -48.75 59.66 Favored Glycine 0 C--N 1.334 0.444 0 C-N-CA 120.351 -0.928 . . . . 70.97 113.67 179.784 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -53.35 -36.75 61.67 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 122.117 -0.637 . . . . 67.93 110.981 177.776 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 70.2 mtm -72.61 -32.47 65.97 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 122.474 0.31 . . . . 63.25 111.821 175.201 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.7 mttm -63.86 -56.09 17.96 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 118.499 -1.28 . . . . 77.12 110.556 175.898 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.93 -14.98 10.65 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 113.267 0.84 . . . . 67.15 113.267 -178.85 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.6 mt -89.33 -4.41 58.1 Favored 'General case' 0 C--O 1.238 0.463 0 N-CA-C 113.152 0.797 . . . . 68.74 113.152 169.597 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 69.79 34.01 2.74 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.322 0.649 . . . . 73.36 112.717 175.655 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ILE . . . . . 0.405 ' H ' HG12 ' A' ' 25' ' ' ILE . 2.4 mm -70.17 143.75 14.41 Favored 'Isoleucine or valine' 0 C--O 1.24 0.553 0 O-C-N 121.673 -0.642 . . . . 66.14 109.636 166.545 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -69.14 157.18 37.39 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 117.485 -1.686 . . . . 64.79 109.912 177.85 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -62.92 -35.88 81.54 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-N 114.854 -1.066 . . . . 66.52 111.809 -175.184 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.5 -48.2 82.56 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 119.997 -0.681 . . . . 69.53 110.478 -178.665 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 35.5 m -64.4 -35.91 82.42 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 116.006 -0.543 . . . . 65.52 111.587 179.703 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 57.7 mtm-85 -63.39 -49.09 75.16 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.624 -0.43 . . . . 71.92 111.327 -177.479 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.7 mmtm -68.8 -7.89 38.29 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 112.682 0.623 . . . . 65.9 112.682 -177.398 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.5 m -88.51 -60.31 2.0 Allowed 'General case' 0 C--O 1.235 0.314 0 C-N-CA 124.559 1.144 . . . . 102.91 110.96 170.295 -88.306 -89.911 -173.6 105.249 2.039 102.203 69.535 -147.976 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ALA . . . . . 0.814 ' HA ' HD23 ' A' ' 36' ' ' LEU . . . -52.08 -24.87 7.5 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 112.788 0.662 . . . . 62.62 112.788 -171.968 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.2 p -80.65 -3.53 6.57 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.459 0 C-N-CA 120.254 -0.578 . . . . 63.42 112.434 177.052 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.5 mtt180 -95.73 -16.62 21.83 Favored 'General case' 0 C--O 1.24 0.565 0 N-CA-C 113.456 0.91 . . . . 73.83 113.456 172.807 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LEU . . . . . 0.814 HD23 ' HA ' ' A' ' 33' ' ' ALA . 2.8 mm? -78.33 140.15 38.79 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 120.977 0.418 . . . . 61.11 110.529 -179.085 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' THR . . . . . 0.42 ' O ' ' HA ' ' A' ' 55' ' ' SER . 11.7 m -76.28 152.79 36.37 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.427 -0.953 . . . . 64.72 108.427 163.98 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' GLN . . . . . 0.448 ' HG3' ' SD ' ' A' ' 10' ' ' MET . 6.9 mt-30 -121.09 145.64 47.58 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 109.404 -0.591 . . . . 60.17 109.404 177.137 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.3 m -137.74 121.66 17.71 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.724 -0.671 . . . . 65.58 109.947 177.673 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LYS . . . . . 0.412 ' HE3' ' OG1' ' A' ' 53' ' ' THR . 23.1 mttp -107.78 136.13 48.03 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 123.239 0.615 . . . . 59.56 110.017 -176.361 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' VAL . . . . . 0.633 HG22 HG23 ' A' ' 7' ' ' THR . 4.1 t -126.36 111.85 27.8 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.626 0 N-CA-C 106.955 -1.498 . . . . 62.92 106.955 178.044 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 25.1 mt -110.13 132.12 59.29 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 N-CA-C 107.8 -1.185 . . . . 63.6 107.8 -175.483 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -121.1 118.26 29.29 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 107.344 -1.354 . . . . 75.2 107.344 176.499 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLN . . . . . 0.441 ' HB3' ' OD1' ' A' ' 5' ' ' ASN . 51.0 tt0 -123.0 143.89 49.63 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-O 121.444 0.64 . . . . 64.24 109.784 -166.996 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ASP . . . . . 0.473 ' HB3' ' HB2' ' A' ' 48' ' ' ASN . 2.9 t0 -136.16 64.59 1.55 Allowed 'General case' 0 N--CA 1.439 -1.001 0 N-CA-C 104.756 -2.313 . . . . 62.43 104.756 -172.874 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 72.46 -93.14 0.61 Allowed Glycine 0 N--CA 1.438 -1.185 0 C-N-CA 117.275 -2.393 . . . . 59.34 108.137 -170.265 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -116.91 10.48 14.1 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 114.0 1.111 . . . . 62.9 114.0 177.383 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ASN . . . . . 0.473 ' HB2' ' HB3' ' A' ' 45' ' ' ASP . 6.5 m-20 -102.84 117.91 35.66 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 108.18 -1.045 . . . . 61.16 108.18 177.55 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 49' ' ' PHE . . . . . 0.535 ' O ' ' HD3' ' A' ' 50' ' ' LYS . 90.5 m-85 -112.02 146.65 37.52 Favored 'General case' 0 C--N 1.344 0.363 0 C-N-CA 124.646 1.178 . . . . 68.16 110.968 -172.961 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' LYS . . . . . 0.535 ' HD3' ' O ' ' A' ' 49' ' ' PHE . 2.6 mppt? -140.63 87.73 2.14 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 105.012 -2.218 . . . . 73.34 105.012 172.852 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ASP . . . . . 0.514 ' HA ' ' O ' ' A' ' 41' ' ' VAL . 13.6 p-10 -115.8 136.44 53.05 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 119.536 -0.866 . . . . 73.1 111.459 -178.983 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.7 mttp -128.42 116.97 20.56 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 115.213 -0.903 . . . . 81.32 108.928 -175.967 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' THR . . . . . 0.412 ' OG1' ' HE3' ' A' ' 40' ' ' LYS . 3.7 m -94.62 154.69 17.23 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.94 0.896 . . . . 66.38 109.4 177.595 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -147.46 121.19 9.23 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.084 -0.71 . . . . 67.65 109.084 -177.308 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 55' ' ' SER . . . . . 0.42 ' HA ' ' O ' ' A' ' 37' ' ' THR . 0.7 OUTLIER -93.44 112.47 24.38 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.841 -0.429 . . . . 59.84 109.841 177.032 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.14 113.44 21.58 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 120.874 0.368 . . . . 59.95 110.097 -173.247 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -55.63 -92.06 0.0 OUTLIER 'General case' 0 C--O 1.234 0.264 0 C-N-CA 127.055 2.142 . . . . 76.24 115.581 179.406 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -138.83 169.48 17.71 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 107.782 -1.192 . . . . 83.58 107.782 172.709 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ASN . . . . . 0.627 ' HB2' ' O ' ' B' ' 53' ' ' THR . 23.5 p30 -153.43 148.61 26.87 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 119.991 -0.684 . . . . 85.17 109.573 -177.759 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -120.08 134.74 55.17 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 108.536 -0.913 . . . . 92.59 108.536 -177.296 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -112.93 117.02 30.92 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 106.121 -1.807 . . . . 81.74 106.121 172.198 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -123.04 122.86 66.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 107.298 -1.371 . . . . 86.86 107.298 172.916 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -126.38 119.69 27.92 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 106.413 -1.699 . . . . 92.42 106.413 -175.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -147.22 -164.33 1.97 Allowed 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 119.482 -0.887 . . . . 83.61 109.329 -167.215 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' THR . . . . . 0.506 ' O ' HG12 ' A' ' 68' ' ' VAL . 64.0 m -143.73 138.25 28.7 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 124.739 1.216 . . . . 85.87 108.553 174.176 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.5 t -65.33 154.89 7.09 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.236 0 CA-C-O 121.421 0.629 . . . . 84.1 109.893 179.836 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 76.2 -26.22 1.54 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 121.104 -0.569 . . . . 94.21 113.368 -177.632 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' VAL . . . . . 0.506 HG12 ' O ' ' A' ' 65' ' ' THR . 0.3 OUTLIER -87.02 144.75 8.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-O 122.528 1.156 . . . . 99.0 109.121 175.881 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 69' ' ' GLU . . . . . 0.403 ' HA ' ' O ' ' A' ' 84' ' ' ALA . 0.1 OUTLIER -98.12 134.32 41.35 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 106.544 -1.651 . . . . 106.96 106.544 169.588 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -142.81 173.11 11.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.539 0.685 . . . . 95.11 110.591 -172.04 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ASP . . . . . 0.428 ' OD1' ' CE1' ' A' ' 81' ' ' HIS . 31.0 t0 -92.36 121.86 34.26 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 115.499 -0.773 . . . . 112.47 110.921 -176.327 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -118.49 112.36 19.83 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 107.997 -1.112 . . . . 100.6 107.997 177.548 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' TYR . . . . . 0.462 ' O ' ' N ' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -96.82 99.2 10.79 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 108.186 -1.042 . . . . 116.89 108.186 172.035 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.6 p -72.15 51.6 0.24 Allowed 'General case' 0 C--O 1.235 0.293 0 C-N-CA 119.776 -0.769 . . . . 90.27 110.756 -171.609 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 73' ' ' TYR . 0.6 OUTLIER -53.32 156.33 2.41 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 106.984 -1.488 . . . . 90.26 106.984 167.051 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 10.0 p 73.62 -0.37 3.39 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 123.333 0.653 . . . . 92.74 112.425 -177.259 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 77' ' ' LEU . 0.7 OUTLIER -127.52 -80.69 0.6 Allowed 'General case' 0 C--O 1.236 0.377 0 CA-C-N 119.073 0.851 . . . . 86.54 110.947 173.461 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ASP . . . . . 0.468 ' OD2' ' NH1' ' A' ' 80' ' ' ARG . 8.3 p30 -136.21 14.21 3.28 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.677 -0.692 . . . . 89.34 110.593 175.806 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 45.11 33.11 1.02 Allowed 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 123.945 0.898 . . . . 97.68 111.191 179.691 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ARG . . . . . 0.468 ' NH1' ' OD2' ' A' ' 78' ' ' ASP . 60.9 mtt85 -84.79 173.29 10.77 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 117.471 -1.691 . . . . 91.23 109.366 179.114 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 81' ' ' HIS . . . . . 0.428 ' CE1' ' OD1' ' A' ' 71' ' ' ASP . 0.3 OUTLIER -120.78 126.01 49.04 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.312 -0.858 . . . . 113.24 108.87 -175.738 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 82' ' ' VAL . . . . . 0.416 HG11 ' HB3' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -135.08 156.33 39.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-O 121.765 0.793 . . . . 97.9 109.811 179.171 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 35.9 tttm -96.84 114.68 26.32 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 114.734 -1.121 . . . . 97.42 108.213 165.35 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' ALA . . . . . 0.403 ' O ' ' HA ' ' A' ' 69' ' ' GLU . . . -104.57 121.51 43.66 Favored 'General case' 0 C--O 1.238 0.475 0 N-CA-C 109.716 -0.476 . . . . 95.77 109.716 -174.116 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.0 tp -118.71 124.65 47.83 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 107.69 -1.226 . . . . 93.39 107.69 177.488 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.8 t -114.29 133.2 61.1 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 N-CA-C 108.963 -0.755 . . . . 89.24 108.963 -173.999 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.33 152.07 40.22 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 123.591 0.757 . . . . 86.2 109.455 -177.662 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 88' ' ' TRP . . . . . 0.537 ' CH2' ' HB3' ' B' ' 2' ' ' ARG . 94.1 m95 -87.72 138.77 31.18 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.415 -0.357 . . . . 79.98 111.073 176.686 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -127.6 83.59 2.18 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 108.992 -0.744 . . . . 92.1 108.992 170.73 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' GLY . . . . . 0.481 ' O ' ' NH2' ' B' ' 2' ' ' ARG . . . 84.99 -119.29 4.98 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 108.846 -1.701 . . . . 81.89 108.846 -169.733 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -104.5 8.1 35.47 Favored 'General case' 0 C--O 1.241 0.645 0 C-N-CA 123.37 0.668 . . . . 79.31 112.0 174.258 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 53.7 t -104.1 123.77 58.09 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 C-N-CA 124.28 1.032 . . . . 77.96 109.499 -170.377 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.1 tp -83.87 117.33 23.25 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 123.902 0.881 . . . . 78.45 110.283 -178.589 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' VAL . . . . . 0.766 HG22 ' HG2' ' A' ' 107' ' ' LYS . 10.1 t -123.12 128.93 75.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 C-N-CA 123.605 0.762 . . . . 87.81 110.003 -170.392 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 9.2 t -124.41 146.79 48.68 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 106.869 -1.53 . . . . 84.54 106.869 175.901 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 27.5 m -126.63 133.68 68.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 106.537 -1.653 . . . . 83.24 106.537 170.576 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' GLN . . . . . 0.416 ' HB3' HG11 ' A' ' 82' ' ' VAL . 47.6 mt-30 -103.16 101.55 11.51 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.37 -0.604 . . . . 95.59 109.37 -179.638 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -75.76 114.53 14.46 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.196 -0.911 . . . . 98.29 108.996 177.216 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 176.5 -148.92 9.37 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 119.78 -1.2 . . . . 91.39 111.497 -176.068 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -55.69 -48.2 75.5 Favored 'General case' 0 C--O 1.235 0.316 0 O-C-N 123.97 0.453 . . . . 98.3 111.296 -171.059 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -94.93 145.18 25.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.581 0.705 . . . . 93.75 110.817 -176.26 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.76 151.08 22.63 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.765 -0.828 . . . . 110.21 108.765 173.34 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 49.9 m-20 63.94 25.38 13.92 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.428 0.691 . . . . 102.98 112.085 -178.639 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -86.45 107.03 17.88 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 106.662 -1.606 . . . . 88.3 106.662 174.674 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -166.2 179.79 40.08 Favored Glycine 0 N--CA 1.449 -0.495 0 N-CA-C 108.426 -1.87 . . . . 86.77 108.426 178.39 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 58.5 p-90 -152.79 159.52 43.08 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.92 -0.77 . . . . 75.77 108.92 178.193 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' LYS . . . . . 0.766 ' HG2' HG22 ' A' ' 94' ' ' VAL . 75.1 mttt -129.26 135.1 48.35 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 123.737 0.815 . . . . 74.73 109.806 176.458 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 108' ' ' LYS . . . . . 0.451 ' HA ' ' O ' ' A' ' 116' ' ' TYR . 16.7 ttpt -135.99 136.55 40.43 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.382 -0.527 . . . . 74.21 110.12 179.404 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 109' ' ' TRP . . . . . 0.559 ' CD1' ' HG3' ' A' ' 111' ' ' GLU . 11.4 p90 -159.14 161.42 36.29 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 121.711 0.767 . . . . 70.73 112.202 -178.714 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 6.6 mm -105.42 128.4 59.46 Favored 'Isoleucine or valine' 0 C--O 1.239 0.501 0 CA-C-N 115.602 -0.726 . . . . 76.85 109.221 -177.84 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' GLU . . . . . 0.559 ' HG3' ' CD1' ' A' ' 109' ' ' TRP . 14.9 mt-10 -131.98 90.45 2.82 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 125.246 1.419 . . . . 77.21 108.417 176.105 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 78.65 -114.34 3.9 Favored Glycine 0 N--CA 1.443 -0.869 0 N-CA-C 108.89 -1.684 . . . . 83.45 108.89 179.744 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -116.06 16.61 16.02 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 119.365 -0.934 . . . . 91.4 112.687 -179.565 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 73.2 mttt -120.91 138.18 54.23 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 107.393 -1.336 . . . . 78.45 107.393 177.618 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.0 tt -101.94 126.62 48.89 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 108.866 -0.79 . . . . 67.63 108.866 177.213 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' TYR . . . . . 0.451 ' O ' ' HA ' ' A' ' 108' ' ' LYS . 42.6 m-85 -104.13 123.87 48.05 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.633 -0.506 . . . . 68.12 109.633 -174.023 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 39.3 tp -123.23 122.88 39.49 Favored 'General case' 0 C--O 1.239 0.539 0 N-CA-C 106.534 -1.654 . . . . 69.85 106.534 176.165 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -107.84 131.98 53.91 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 105.502 -2.036 . . . . 81.59 105.502 174.606 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' LEU . . . . . 0.489 ' HB2' ' HB3' ' A' ' 126' ' ' CYS . 9.7 mt -122.24 125.46 46.11 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 106.9 -1.518 . . . . 72.01 106.9 178.989 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.35 132.81 45.99 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.473 -0.566 . . . . 84.76 109.473 -174.48 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 18.5 t -142.93 128.33 18.91 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 109.295 -0.631 . . . . 78.58 109.295 167.789 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 65.94 -125.06 27.12 Favored Glycine 0 CA--C 1.522 0.5 0 CA-C-O 121.732 0.629 . . . . 85.88 112.209 -176.604 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 23.6 p-10 -101.07 17.22 22.97 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 122.992 0.517 . . . . 99.44 111.799 175.698 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 41.6 mm-40 -106.89 131.21 54.23 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 124.595 1.158 . . . . 87.33 109.127 -176.373 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' VAL . . . . . 0.421 ' HB ' HH12 ' A' ' 127' ' ' ARG . 27.4 t -119.96 122.77 69.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 N-CA-C 107.586 -1.264 . . . . 86.55 107.586 177.434 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 126' ' ' CYS . . . . . 0.489 ' HB3' ' HB2' ' A' ' 119' ' ' LEU . 44.8 t -106.09 131.59 53.18 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 109.611 -0.515 . . . . 73.09 109.611 178.187 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 127' ' ' ARG . . . . . 0.421 HH12 ' HB ' ' A' ' 125' ' ' VAL . 5.9 mtm-85 -113.08 113.94 26.13 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.283 -0.636 . . . . 91.6 109.283 -176.658 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . . . -112.62 138.77 48.92 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 108.647 -0.871 . . . . 67.83 108.647 179.611 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 79.8 t -136.24 126.41 40.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 C-N-CA 123.132 0.573 . . . . 72.33 109.862 -174.423 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' PHE . . . . . 0.468 ' HB3' ' HB3' ' B' ' 8' ' ' TRP . 5.2 m-85 -127.98 132.89 49.15 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 109.449 -0.575 . . . . 71.4 109.449 -174.463 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 5.6 pttm -99.17 151.2 21.26 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.574 -0.898 . . . . 85.35 108.574 169.866 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -62.82 178.14 0.49 Allowed 'General case' 0 C--O 1.233 0.236 0 C-N-CA 119.641 -0.824 . . . . 79.12 111.58 -176.745 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 133' ' ' LYS . . . . . 0.761 ' HD2' ' HB2' ' B' ' 9' ' ' GLU . 2.6 mttm . . . . . 0 C--N 1.324 -0.512 0 O-C-N 121.905 -0.497 . . . . 83.95 111.768 -172.9 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 CA--C 1.537 0.47 0 CA-C-O 122.235 1.017 . . . . 75.17 113.344 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' ARG . . . . . 0.537 ' HB3' ' CH2' ' A' ' 88' ' ' TRP . 16.8 mtt180 -94.75 3.46 55.0 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 125.365 1.466 . . . . 78.05 112.588 178.768 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -85.12 107.09 17.04 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 109.2 -0.667 . . . . 90.62 109.2 -175.76 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -113.37 11.83 18.65 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 114.149 1.166 . . . . 76.96 114.149 -173.644 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' ASN . . . . . 0.642 HD21 ' HB3' ' B' ' 44' ' ' GLN . 40.0 m-80 -64.74 162.11 16.61 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 119.226 0.921 . . . . 78.85 110.874 177.805 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 117.34 173.31 16.42 Favored Glycine 0 CA--C 1.525 0.67 0 CA-C-O 121.721 0.623 . . . . 73.7 112.071 175.328 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 55.1 m -101.24 121.95 42.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.622 -0.789 . . . . 68.34 109.39 179.471 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' TRP . . . . . 0.468 ' HB3' ' HB3' ' A' ' 130' ' ' PHE . 39.4 m95 -113.02 120.06 40.04 Favored 'General case' 0 CA--C 1.507 -0.696 0 C-N-CA 123.295 0.638 . . . . 66.62 110.312 -173.472 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 9' ' ' GLU . . . . . 0.761 ' HB2' ' HD2' ' A' ' 133' ' ' LYS . 7.4 tt0 -98.76 124.48 43.65 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.876 -0.787 . . . . 82.05 108.876 174.892 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 10' ' ' MET . . . . . 0.428 ' SD ' ' HB2' ' B' ' 13' ' ' ASN . 36.3 ttm -64.97 138.58 58.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.853 0.359 . . . . 68.91 110.72 178.341 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -122.16 -18.2 6.95 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 114.089 1.144 . . . . 81.04 114.089 178.28 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 4.7 p -152.22 137.83 17.81 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 107.354 -1.351 . . . . 69.9 107.354 173.283 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' ASN . . . . . 0.428 ' HB2' ' SD ' ' B' ' 10' ' ' MET . 19.1 t-20 -148.66 118.15 6.96 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 107.112 -1.44 . . . . 79.16 107.112 -178.846 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -126.75 149.94 49.36 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 120.896 0.379 . . . . 87.3 110.591 -168.159 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' ASN . . . . . 0.413 ' OD1' ' HA3' ' B' ' 18' ' ' GLY . 38.8 t-20 56.02 26.95 10.59 Favored 'General case' 0 CA--C 1.516 -0.347 0 C-N-CA 123.911 0.884 . . . . 82.95 111.166 -175.823 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -61.95 -41.73 98.31 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 118.775 -1.17 . . . . 73.33 109.646 173.3 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -59.59 -44.08 93.48 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 120.903 -0.319 . . . . 74.05 111.061 179.667 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' GLY . . . . . 0.413 ' HA3' ' OD1' ' B' ' 15' ' ' ASN . . . -64.07 -49.92 63.87 Favored Glycine 0 C--N 1.336 0.547 0 C-N-CA 120.046 -1.073 . . . . 73.97 112.495 179.578 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -54.16 -40.63 67.64 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 117.052 0.426 . . . . 69.56 111.316 177.298 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 54.7 mtm -72.94 -34.75 66.74 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 120.924 -0.31 . . . . 75.75 111.256 179.653 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.97 -52.98 62.72 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 121.266 0.555 . . . . 72.97 110.934 178.263 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.02 -15.99 27.17 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 112.222 0.453 . . . . 75.94 112.222 176.091 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' LEU . . . . . 0.436 ' O ' ' NH1' ' A' ' 80' ' ' ARG . 12.8 mt -86.71 -5.05 59.23 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 118.743 0.701 . . . . 74.7 111.772 172.525 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 66.5 27.25 9.79 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 124.384 1.073 . . . . 82.93 111.977 179.626 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -66.42 141.64 17.76 Favored 'Isoleucine or valine' 0 C--O 1.243 0.715 0 N-CA-C 106.227 -1.768 . . . . 77.38 106.227 169.265 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -66.94 159.31 28.74 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 121.989 0.9 . . . . 75.53 111.555 -175.657 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -61.62 -38.09 86.35 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 114.646 -1.161 . . . . 77.75 111.747 -172.339 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.27 -50.35 72.07 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 120.028 -0.669 . . . . 78.65 110.704 179.863 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 33.4 m -62.07 -35.54 78.95 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 120.922 -0.311 . . . . 62.7 111.169 -179.805 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' ARG . . . . . 0.513 ' O ' HG13 ' B' ' 34' ' ' VAL . 48.7 mtm-85 -65.05 -48.88 72.24 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 119.439 -0.904 . . . . 72.97 111.277 -178.194 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 mmtm -66.82 -5.3 11.76 Favored 'General case' 0 C--O 1.238 0.485 0 O-C-N 122.098 -0.376 . . . . 74.37 111.79 -175.373 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 1.4 t -89.06 -70.34 0.66 Allowed 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 122.572 0.349 . . . . 82.47 110.938 174.076 -147.976 69.535 -173.6 102.203 2.039 105.249 -89.911 -88.306 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' ALA . . . . . 0.648 ' HA ' ' HG ' ' B' ' 36' ' ' LEU . . . -53.7 -15.84 1.4 Allowed 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 113.786 1.032 . . . . 64.49 113.786 -171.597 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 34' ' ' VAL . . . . . 0.513 HG13 ' O ' ' B' ' 30' ' ' ARG . 3.3 m -75.86 -2.09 3.87 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 O-C-N 121.354 -0.841 . . . . 73.21 111.153 174.342 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -97.71 -18.16 19.0 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 112.037 0.384 . . . . 77.07 112.037 169.817 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' LEU . . . . . 0.648 ' HG ' ' HA ' ' B' ' 33' ' ' ALA . 36.5 mt -73.35 134.12 44.02 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 109.081 -0.711 . . . . 57.54 109.081 -173.765 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 37' ' ' THR . . . . . 0.512 ' O ' ' HA ' ' B' ' 55' ' ' SER . 19.6 m -82.68 148.28 28.01 Favored 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 107.848 -1.167 . . . . 63.81 107.848 163.167 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -123.34 143.49 50.06 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 119.277 -0.969 . . . . 57.05 111.799 -177.8 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 16.7 m -133.48 121.58 22.4 Favored 'General case' 0 CA--C 1.519 -0.234 0 C-N-CA 124.023 0.929 . . . . 59.27 108.942 -175.37 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 10.6 tttp -109.9 137.5 47.6 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.813 -0.44 . . . . 67.38 109.813 -174.105 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 4.0 t -127.83 115.29 38.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 108.416 -0.957 . . . . 68.41 108.416 176.657 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 53.0 mt -107.83 132.55 55.17 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 C-N-CA 124.22 1.008 . . . . 72.21 109.621 -169.675 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' ASP . . . . . 0.675 ' HB3' ' HB2' ' B' ' 50' ' ' LYS . 10.2 t0 -122.74 113.62 19.43 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 108.878 -0.786 . . . . 90.37 108.878 178.733 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 44' ' ' GLN . . . . . 0.642 ' HB3' HD21 ' B' ' 5' ' ' ASN . 63.5 tt0 -124.75 140.86 52.55 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 122.965 0.506 . . . . 79.92 111.376 -169.004 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -142.51 69.62 1.32 Allowed 'General case' 0 C--N 1.347 0.474 0 CA-C-O 123.088 1.423 . . . . 92.82 108.651 -178.375 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.85 -97.01 1.34 Allowed Glycine 0 N--CA 1.449 -0.462 0 O-C-N 120.911 -1.118 . . . . 80.58 113.522 -172.679 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -110.03 8.32 24.0 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 117.697 0.749 . . . . 89.64 111.843 178.194 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -109.22 122.77 48.03 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.421 -0.585 . . . . 93.7 109.421 -175.029 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -115.8 148.93 39.32 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.608 0.718 . . . . 71.65 112.435 -175.869 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' LYS . . . . . 0.675 ' HB2' ' HB3' ' B' ' 43' ' ' ASP . 2.8 mppt? -139.02 94.43 2.81 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 106.086 -1.82 . . . . 91.61 106.086 178.603 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -109.65 136.65 48.67 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 117.924 0.329 . . . . 75.88 111.274 -175.754 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 21.3 mttp -134.8 112.26 10.57 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 108.845 -0.798 . . . . 81.53 108.845 -177.941 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' THR . . . . . 0.627 ' O ' ' HB2' ' A' ' 59' ' ' ASN . 2.8 m -97.21 168.84 10.19 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 126.259 1.824 . . . . 66.62 110.294 -178.099 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -141.15 -48.8 0.41 Allowed 'General case' 0 C--N 1.345 0.407 0 N-CA-C 120.351 3.463 . . . . 66.28 120.351 -175.88 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 55' ' ' SER . . . . . 0.512 ' HA ' ' O ' ' B' ' 37' ' ' THR . 0.7 OUTLIER 67.52 107.51 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 120.986 1.721 . . . . 51.65 114.139 179.93 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 53.6 m -125.04 107.6 10.98 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.494 -0.928 . . . . 57.3 108.494 -173.199 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' PHE . . . . . 0.583 ' HB2' HD23 ' B' ' 36' ' ' LEU . 62.4 t80 -85.18 110.64 19.16 Favored 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 107.581 -1.266 . . . . 73.73 107.581 168.071 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 58' ' ' ARG . . . . . 0.792 ' HD2' ' HA ' ' B' ' 76' ' ' SER . 11.1 mmt180 64.66 160.98 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 122.141 0.972 . . . . 81.1 112.931 172.881 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -164.0 142.62 7.52 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 105.203 -2.147 . . . . 76.23 105.203 -178.439 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -131.05 138.1 49.45 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 118.958 -1.097 . . . . 79.9 111.017 179.174 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -115.73 115.29 26.08 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 125.388 1.475 . . . . 77.51 108.048 170.096 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 1.6 p -126.0 117.36 48.67 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 N-CA-C 108.131 -1.063 . . . . 73.29 108.131 168.779 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -128.56 120.99 27.74 Favored 'General case' 0 CA--C 1.518 -0.252 0 C-N-CA 124.306 1.043 . . . . 84.92 108.461 -175.607 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' PHE . . . . . 0.487 ' CE2' HG21 ' B' ' 86' ' ' VAL . 16.6 p90 -145.28 -164.3 1.91 Allowed 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.994 -0.743 . . . . 72.48 108.994 -166.139 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 52.6 m -142.33 138.91 31.59 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 125.521 1.528 . . . . 75.53 109.161 172.026 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 42.5 t -64.4 153.08 7.95 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 CA-C-O 121.501 0.667 . . . . 75.94 109.569 178.962 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.54 -28.96 0.87 Allowed Glycine 0 C--N 1.334 0.468 0 CA-C-N 115.83 -0.623 . . . . 76.45 113.313 -179.045 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 1.1 t -86.01 141.62 14.22 Favored 'Isoleucine or valine' 0 C--O 1.244 0.767 0 CA-C-O 122.159 0.98 . . . . 84.66 109.422 176.248 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -97.18 138.75 34.19 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.824 -1.08 . . . . 96.55 109.278 174.495 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -142.51 169.51 17.45 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 108.296 -1.002 . . . . 94.1 108.296 178.944 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.27 125.54 38.97 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.317 -0.856 . . . . 109.19 109.145 -178.711 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -114.32 119.19 36.12 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 108.092 -1.077 . . . . 91.66 108.092 179.299 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' TYR . . . . . 0.466 ' O ' ' N ' ' B' ' 75' ' ' LYS . 29.8 t80 -94.53 100.12 12.15 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 124.19 0.996 . . . . 91.06 108.878 172.506 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 19.9 p -69.81 53.67 0.12 Allowed 'General case' 0 C--O 1.235 0.298 0 N-CA-C 113.068 0.766 . . . . 81.79 113.068 -168.471 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' B' ' 73' ' ' TYR . 16.5 ttpt -52.53 155.45 2.17 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 108.312 -0.995 . . . . 89.31 108.312 167.999 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 76' ' ' SER . . . . . 0.792 ' HA ' ' HD2' ' B' ' 58' ' ' ARG . 4.3 p 71.34 -2.09 2.53 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 124.697 1.199 . . . . 77.41 111.968 -177.031 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 77' ' ' LEU . . . . . 0.439 ' HA ' HD23 ' B' ' 77' ' ' LEU . 0.8 OUTLIER -129.28 -76.1 0.55 Allowed 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 118.786 -1.166 . . . . 77.28 109.749 173.559 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 78' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' B' ' 78' ' ' ASP . 5.1 p30 -133.31 11.28 4.16 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 113.62 0.971 . . . . 87.03 113.62 175.29 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 4.7 m120 47.94 36.63 6.38 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.746 0.818 . . . . 82.33 112.627 175.999 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -89.73 -177.86 5.37 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 126.828 2.051 . . . . 90.16 110.596 178.024 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -121.6 126.67 49.65 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 123.68 0.792 . . . . 97.53 110.83 179.941 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 82' ' ' VAL . . . . . 0.611 HG11 ' HB3' ' B' ' 97' ' ' GLN . 0.0 OUTLIER -136.18 155.19 34.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 N-CA-C 109.004 -0.739 . . . . 91.02 109.004 171.168 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -98.59 114.79 27.37 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 107.515 -1.291 . . . . 93.19 107.515 162.962 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -104.46 126.18 51.32 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 122.474 0.31 . . . . 86.59 111.094 -172.915 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 8.3 tp -116.57 122.81 45.74 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 108.064 -1.087 . . . . 80.96 108.064 178.17 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 86' ' ' VAL . . . . . 0.487 HG21 ' CE2' ' B' ' 64' ' ' PHE . 3.3 t -113.03 131.57 64.29 Favored 'Isoleucine or valine' 0 C--O 1.239 0.507 0 N-CA-C 108.792 -0.818 . . . . 75.17 108.792 -176.467 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 16.0 p -142.49 151.27 41.51 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.077 0.551 . . . . 64.4 110.089 -176.852 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 88' ' ' TRP . . . . . . . . . . . . . 90.3 m95 -84.3 144.34 28.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.338 0.589 . . . . 65.94 110.287 174.475 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -127.4 80.2 1.94 Allowed 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 104.388 -2.449 . . . . 77.35 104.388 163.519 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 90' ' ' GLY . . . . . 0.602 ' O ' ' NH2' ' A' ' 2' ' ' ARG . . . 82.88 -117.64 4.45 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 119.575 -1.298 . . . . 65.69 111.506 -174.401 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 91' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -101.44 7.18 42.64 Favored 'General case' 0 CA--C 1.515 -0.396 0 C-N-CA 123.685 0.794 . . . . 72.18 111.831 175.886 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 92' ' ' VAL . . . . . 0.507 HG12 HG23 ' B' ' 94' ' ' VAL . 29.5 t -104.23 119.5 53.13 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.48 0 N-CA-C 107.844 -1.169 . . . . 64.01 107.844 -175.318 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 93' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' B' ' 93' ' ' LEU . 8.8 tp -83.6 121.15 26.86 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 107.81 -1.182 . . . . 62.03 107.81 178.589 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 94' ' ' VAL . . . . . 0.507 HG23 HG12 ' B' ' 92' ' ' VAL . 4.6 t -121.02 127.44 75.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 110.294 -0.261 . . . . 67.6 110.294 -167.686 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 95' ' ' CYS . . . . . 0.51 ' SG ' ' N ' ' B' ' 96' ' ' VAL . 8.5 t -126.41 148.48 49.61 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 121.602 0.715 . . . . 69.02 110.909 175.573 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 96' ' ' VAL . . . . . 0.626 HG21 ' HE2' ' B' ' 98' ' ' LYS . 20.7 m -127.9 132.46 68.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 N-CA-C 106.532 -1.655 . . . . 74.42 106.532 170.157 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 97' ' ' GLN . . . . . 0.611 ' HB3' HG11 ' B' ' 82' ' ' VAL . 51.1 mt-30 -106.19 94.19 5.03 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 105.198 -2.149 . . . . 82.3 105.198 176.308 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 98' ' ' LYS . . . . . 0.626 ' HE2' HG21 ' B' ' 96' ' ' VAL . 12.4 mmtt -78.09 119.14 21.08 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 107.195 -1.409 . . . . 91.68 107.195 178.415 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -178.46 -149.07 7.88 Favored Glycine 0 N--CA 1.443 -0.895 0 N-CA-C 109.55 -1.42 . . . . 90.82 109.55 -173.632 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -54.46 -49.14 70.76 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 120.977 0.418 . . . . 99.33 111.93 -167.081 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -93.99 156.6 16.52 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 122.254 1.026 . . . . 85.46 111.68 -169.715 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.13 148.85 29.4 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.723 -1.126 . . . . 108.13 109.792 174.706 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 37.4 m-20 62.61 25.01 14.9 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.448 1.099 . . . . 86.22 113.265 175.784 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 39.2 ttt180 -82.33 104.17 12.44 Favored 'General case' 0 C--N 1.331 -0.225 0 O-C-N 120.339 -1.476 . . . . 84.77 109.99 -176.723 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . -168.4 -176.97 39.15 Favored Glycine 0 C--N 1.333 0.367 0 N-CA-C 110.4 -1.08 . . . . 73.61 110.4 -179.865 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 106' ' ' TRP . . . . . . . . . . . . . 42.4 p-90 -152.76 161.46 42.53 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 122.411 1.1 . . . . 64.48 112.03 178.281 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 107' ' ' LYS . . . . . 0.419 ' O ' HD12 ' B' ' 117' ' ' LEU . 75.9 mttt -124.18 136.3 54.09 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 113.985 -1.461 . . . . 61.25 108.589 177.857 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 108' ' ' LYS . . . . . 0.548 ' HG2' HD11 ' B' ' 115' ' ' LEU . 3.5 ttpt -133.13 133.65 43.17 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 107.831 -1.174 . . . . 60.51 107.831 177.573 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 109' ' ' TRP . . . . . 0.457 ' HB3' HG22 ' B' ' 92' ' ' VAL . 9.7 p90 -158.13 154.52 27.6 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 119.208 -0.997 . . . . 68.47 108.677 176.336 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 110' ' ' ILE . . . . . 0.437 HD11 ' HG2' ' A' ' 4' ' ' GLN . 4.9 mm -106.44 137.0 39.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 108.244 -1.021 . . . . 71.06 108.244 -176.388 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -123.73 79.3 1.69 Allowed 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 107.235 -1.395 . . . . 87.1 107.235 170.19 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . 78.96 -105.67 2.26 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 118.888 -1.625 . . . . 66.99 116.74 177.563 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -100.08 3.89 44.28 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 125.788 1.635 . . . . 78.37 111.854 -175.198 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 114' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -133.74 140.9 47.27 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 122.582 0.353 . . . . 66.73 111.177 179.754 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 115' ' ' LEU . . . . . 0.548 HD11 ' HG2' ' B' ' 108' ' ' LYS . 13.3 tp -100.38 128.52 46.43 Favored 'General case' 0 CA--C 1.514 -0.421 0 C-N-CA 124.341 1.057 . . . . 59.66 109.027 174.023 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -104.14 131.51 51.36 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 124.039 0.936 . . . . 65.25 109.032 -179.667 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 117' ' ' LEU . . . . . 0.518 HD13 ' HG3' ' B' ' 108' ' ' LYS . 27.2 tp -123.12 128.63 50.35 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 108.522 -0.918 . . . . 55.32 108.522 174.915 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -115.07 127.45 55.63 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 108.373 -0.973 . . . . 81.93 108.373 171.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 119' ' ' LEU . . . . . 0.696 ' HB2' ' HB3' ' B' ' 126' ' ' CYS . 7.4 mt -120.39 127.15 52.02 Favored 'General case' 0 CA--C 1.513 -0.452 0 C-N-CA 123.896 0.879 . . . . 60.6 109.875 -177.046 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 120' ' ' THR . . . . . 0.584 HG22 HG22 ' B' ' 125' ' ' VAL . 12.7 p -131.52 135.59 47.18 Favored 'General case' 0 CA--C 1.515 -0.398 0 O-C-N 123.686 0.616 . . . . 68.78 110.083 -177.67 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 37.5 t -139.16 131.91 29.08 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 107.877 -1.157 . . . . 80.21 107.877 165.228 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 62.05 -122.3 28.17 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 118.662 -1.733 . . . . 84.12 109.872 -179.693 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 -101.35 6.35 42.66 Favored 'General case' 0 C--O 1.24 0.556 0 C-N-CA 124.184 0.994 . . . . 89.03 113.286 178.32 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 124' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -107.85 132.77 53.09 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 118.308 0.504 . . . . 87.52 111.366 -169.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 125' ' ' VAL . . . . . 0.584 HG22 HG22 ' B' ' 120' ' ' THR . 0.9 OUTLIER -117.06 122.11 69.29 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 C-N-CA 124.16 0.984 . . . . 69.82 108.599 -176.215 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 126' ' ' CYS . . . . . 0.696 ' HB3' ' HB2' ' B' ' 119' ' ' LEU . 29.7 t -107.4 127.99 54.07 Favored 'General case' 0 C--O 1.239 0.537 0 N-CA-C 109.474 -0.565 . . . . 61.67 109.474 172.952 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 38.5 mtt-85 -115.28 112.99 23.26 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 108.964 -0.754 . . . . 86.07 108.964 -177.105 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 128' ' ' GLN . . . . . 0.656 ' HG2' HD22 ' A' ' 13' ' ' ASN . 23.3 mt-30 -112.84 144.66 42.01 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 123.79 0.836 . . . . 62.15 109.011 -179.336 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 129' ' ' VAL . . . . . . . . . . . . . 82.8 t -134.52 126.63 48.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 109.445 -0.576 . . . . 60.61 109.445 -176.723 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 130' ' ' PHE . . . . . 0.413 ' HB3' ' HB3' ' A' ' 8' ' ' TRP . 4.1 m-85 -124.09 139.52 53.86 Favored 'General case' 0 CA--C 1.518 -0.272 0 C-N-CA 125.052 1.341 . . . . 62.71 110.551 -172.251 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -104.53 147.55 27.47 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 123.268 0.627 . . . . 70.95 110.857 170.162 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -177.38 0.46 Allowed 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.305 1.042 . . . . 82.23 110.495 -178.748 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.547 0 C-N-CA 119.366 -0.934 . . . . 81.86 112.804 -176.724 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 11.7 t . . . . . 0 CA--C 1.547 0.835 0 N-CA-C 112.342 0.497 . . . . 72.37 112.342 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.602 ' NH2' ' O ' ' B' ' 90' ' ' GLY . 14.2 mtt180 -97.1 -1.02 46.09 Favored 'General case' 0 C--N 1.342 0.279 0 C-N-CA 123.621 0.769 . . . . 60.28 112.538 178.399 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -88.79 103.1 15.66 Favored 'General case' 0 C--O 1.241 0.63 0 N-CA-C 106.806 -1.553 . . . . 79.67 106.806 -177.524 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.437 ' HG2' HD11 ' B' ' 110' ' ' ILE . 53.3 mt-30 -110.45 14.5 22.54 Favored 'General case' 0 C--N 1.343 0.311 0 C-N-CA 124.666 1.186 . . . . 64.41 112.677 -174.657 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.441 ' OD1' ' HB3' ' A' ' 44' ' ' GLN . 4.6 m120 -63.2 158.14 20.77 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 119.527 -0.869 . . . . 58.85 109.367 175.381 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 117.28 173.73 16.64 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-O 122.134 0.852 . . . . 62.77 112.791 174.654 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' THR . . . . . 0.633 HG23 HG22 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -101.99 120.18 40.0 Favored 'General case' 0 C--O 1.24 0.598 0 C-N-CA 125.054 1.342 . . . . 63.61 109.914 179.601 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.413 ' HB3' ' HB3' ' B' ' 130' ' ' PHE . 7.8 m95 -117.1 114.89 24.37 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 123.185 0.594 . . . . 66.92 109.659 -176.369 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -98.84 128.98 45.2 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 119.41 -0.916 . . . . 85.13 109.241 179.564 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' MET . . . . . 0.477 ' HE2' ' HB2' ' A' ' 13' ' ' ASN . 35.6 ttm -60.95 137.24 58.24 Favored 'General case' 0 CA--C 1.514 -0.419 0 O-C-N 123.501 0.501 . . . . 66.37 109.85 -176.211 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -122.2 -19.93 6.37 Favored 'General case' 0 C--O 1.243 0.754 0 N-CA-C 114.144 1.165 . . . . 64.3 114.144 179.376 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.9 p -153.56 136.54 15.47 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 124.421 1.088 . . . . 62.86 108.614 174.943 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.656 HD22 ' HG2' ' B' ' 128' ' ' GLN . 3.7 t-20 -147.36 123.6 10.88 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 108.677 -0.861 . . . . 67.91 108.677 178.868 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.28 143.77 51.17 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 123.595 0.559 . . . . 86.92 111.023 -170.155 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 41.5 t-20 57.6 27.57 14.37 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 124.986 1.315 . . . . 76.15 112.603 -174.495 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.51 ' HB2' ' OD1' ' A' ' 13' ' ' ASN . 2.5 t80 -59.94 -37.41 79.43 Favored 'General case' 0 CA--C 1.514 -0.41 0 C-N-CA 119.849 -0.74 . . . . 63.79 110.454 172.427 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -57.61 -46.63 83.84 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.34 -0.391 . . . . 69.79 110.797 -179.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -66.78 -48.75 59.66 Favored Glycine 0 C--N 1.334 0.444 0 C-N-CA 120.351 -0.928 . . . . 70.97 113.67 179.784 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -53.35 -36.75 61.67 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 122.117 -0.637 . . . . 67.93 110.981 177.776 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 70.2 mtm -72.61 -32.47 65.97 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 122.474 0.31 . . . . 63.25 111.821 175.201 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.7 mttm -63.86 -56.09 17.96 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 118.499 -1.28 . . . . 77.12 110.556 175.898 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.93 -14.98 10.65 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 113.267 0.84 . . . . 67.15 113.267 -178.85 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.6 mt -89.33 -4.41 58.1 Favored 'General case' 0 C--O 1.238 0.463 0 N-CA-C 113.152 0.797 . . . . 68.74 113.152 169.597 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 69.79 34.01 2.74 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.322 0.649 . . . . 73.36 112.717 175.655 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.405 ' H ' HG12 ' A' ' 25' ' ' ILE . 2.4 mm -70.17 143.75 14.41 Favored 'Isoleucine or valine' 0 C--O 1.24 0.553 0 O-C-N 121.673 -0.642 . . . . 66.14 109.636 166.545 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -69.14 157.18 37.39 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 117.485 -1.686 . . . . 64.79 109.912 177.85 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -62.92 -35.88 81.54 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-N 114.854 -1.066 . . . . 66.52 111.809 -175.184 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.5 -48.2 82.56 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 119.997 -0.681 . . . . 69.53 110.478 -178.665 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 35.5 m -64.4 -35.91 82.42 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 116.006 -0.543 . . . . 65.52 111.587 179.703 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 57.7 mtm-85 -63.39 -49.09 75.16 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.624 -0.43 . . . . 71.92 111.327 -177.479 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.7 mmtm -68.8 -7.89 38.29 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 112.682 0.623 . . . . 65.9 112.682 -177.398 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.5 m -88.51 -60.31 2.0 Allowed 'General case' 0 C--O 1.235 0.314 0 C-N-CA 124.559 1.144 . . . . 102.91 110.96 170.295 -88.306 -89.911 -173.6 105.249 2.039 102.203 69.535 -147.976 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.814 ' HA ' HD23 ' A' ' 36' ' ' LEU . . . -52.08 -24.87 7.5 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 112.788 0.662 . . . . 62.62 112.788 -171.968 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.2 p -80.65 -3.53 6.57 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.459 0 C-N-CA 120.254 -0.578 . . . . 63.42 112.434 177.052 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.5 mtt180 -95.73 -16.62 21.83 Favored 'General case' 0 C--O 1.24 0.565 0 N-CA-C 113.456 0.91 . . . . 73.83 113.456 172.807 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.814 HD23 ' HA ' ' A' ' 33' ' ' ALA . 2.8 mm? -78.33 140.15 38.79 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 120.977 0.418 . . . . 61.11 110.529 -179.085 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' THR . . . . . 0.42 ' O ' ' HA ' ' A' ' 55' ' ' SER . 11.7 m -76.28 152.79 36.37 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.427 -0.953 . . . . 64.72 108.427 163.98 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.448 ' HG3' ' SD ' ' A' ' 10' ' ' MET . 6.9 mt-30 -121.09 145.64 47.58 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 109.404 -0.591 . . . . 60.17 109.404 177.137 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.3 m -137.74 121.66 17.71 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.724 -0.671 . . . . 65.58 109.947 177.673 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.412 ' HE3' ' OG1' ' A' ' 53' ' ' THR . 23.1 mttp -107.78 136.13 48.03 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 123.239 0.615 . . . . 59.56 110.017 -176.361 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.633 HG22 HG23 ' A' ' 7' ' ' THR . 4.1 t -126.36 111.85 27.8 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.626 0 N-CA-C 106.955 -1.498 . . . . 62.92 106.955 178.044 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 25.1 mt -110.13 132.12 59.29 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 N-CA-C 107.8 -1.185 . . . . 63.6 107.8 -175.483 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -121.1 118.26 29.29 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 107.344 -1.354 . . . . 75.2 107.344 176.499 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.441 ' HB3' ' OD1' ' A' ' 5' ' ' ASN . 51.0 tt0 -123.0 143.89 49.63 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-O 121.444 0.64 . . . . 64.24 109.784 -166.996 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.473 ' HB3' ' HB2' ' A' ' 48' ' ' ASN . 2.9 t0 -136.16 64.59 1.55 Allowed 'General case' 0 N--CA 1.439 -1.001 0 N-CA-C 104.756 -2.313 . . . . 62.43 104.756 -172.874 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 72.46 -93.14 0.61 Allowed Glycine 0 N--CA 1.438 -1.185 0 C-N-CA 117.275 -2.393 . . . . 59.34 108.137 -170.265 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -116.91 10.48 14.1 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 114.0 1.111 . . . . 62.9 114.0 177.383 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.473 ' HB2' ' HB3' ' A' ' 45' ' ' ASP . 6.5 m-20 -102.84 117.91 35.66 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 108.18 -1.045 . . . . 61.16 108.18 177.55 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.535 ' O ' ' HD3' ' A' ' 50' ' ' LYS . 90.5 m-85 -112.02 146.65 37.52 Favored 'General case' 0 C--N 1.344 0.363 0 C-N-CA 124.646 1.178 . . . . 68.16 110.968 -172.961 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.535 ' HD3' ' O ' ' A' ' 49' ' ' PHE . 2.6 mppt? -140.63 87.73 2.14 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 105.012 -2.218 . . . . 73.34 105.012 172.852 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.514 ' HA ' ' O ' ' A' ' 41' ' ' VAL . 13.6 p-10 -115.8 136.44 53.05 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 119.536 -0.866 . . . . 73.1 111.459 -178.983 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.7 mttp -128.42 116.97 20.56 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 115.213 -0.903 . . . . 81.32 108.928 -175.967 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' THR . . . . . 0.412 ' OG1' ' HE3' ' A' ' 40' ' ' LYS . 3.7 m -94.62 154.69 17.23 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.94 0.896 . . . . 66.38 109.4 177.595 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -147.46 121.19 9.23 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.084 -0.71 . . . . 67.65 109.084 -177.308 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' SER . . . . . 0.42 ' HA ' ' O ' ' A' ' 37' ' ' THR . 0.7 OUTLIER -93.44 112.47 24.38 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.841 -0.429 . . . . 59.84 109.841 177.032 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.14 113.44 21.58 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 120.874 0.368 . . . . 59.95 110.097 -173.247 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -55.63 -92.06 0.0 OUTLIER 'General case' 0 C--O 1.234 0.264 0 C-N-CA 127.055 2.142 . . . . 76.24 115.581 179.406 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -138.83 169.48 17.71 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 107.782 -1.192 . . . . 83.58 107.782 172.709 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.627 ' HB2' ' O ' ' B' ' 53' ' ' THR . 23.5 p30 -153.43 148.61 26.87 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 119.991 -0.684 . . . . 85.17 109.573 -177.759 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -120.08 134.74 55.17 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 108.536 -0.913 . . . . 92.59 108.536 -177.296 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -112.93 117.02 30.92 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 106.121 -1.807 . . . . 81.74 106.121 172.198 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -123.04 122.86 66.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 107.298 -1.371 . . . . 86.86 107.298 172.916 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -126.38 119.69 27.92 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 106.413 -1.699 . . . . 92.42 106.413 -175.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -147.22 -164.33 1.97 Allowed 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 119.482 -0.887 . . . . 83.61 109.329 -167.215 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' THR . . . . . 0.506 ' O ' HG12 ' A' ' 68' ' ' VAL . 64.0 m -143.73 138.25 28.7 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 124.739 1.216 . . . . 85.87 108.553 174.176 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.5 t -65.33 154.89 7.09 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.236 0 CA-C-O 121.421 0.629 . . . . 84.1 109.893 179.836 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 76.2 -26.22 1.54 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 121.104 -0.569 . . . . 94.21 113.368 -177.632 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.506 HG12 ' O ' ' A' ' 65' ' ' THR . 0.3 OUTLIER -87.02 144.75 8.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-O 122.528 1.156 . . . . 99.0 109.121 175.881 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.403 ' HA ' ' O ' ' A' ' 84' ' ' ALA . 0.1 OUTLIER -98.12 134.32 41.35 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 106.544 -1.651 . . . . 106.96 106.544 169.588 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -142.81 173.11 11.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.539 0.685 . . . . 95.11 110.591 -172.04 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.428 ' OD1' ' CE1' ' A' ' 81' ' ' HIS . 31.0 t0 -92.36 121.86 34.26 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 115.499 -0.773 . . . . 112.47 110.921 -176.327 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -118.49 112.36 19.83 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 107.997 -1.112 . . . . 100.6 107.997 177.548 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.462 ' O ' ' N ' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -96.82 99.2 10.79 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 108.186 -1.042 . . . . 116.89 108.186 172.035 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 26.6 p -72.15 51.6 0.24 Allowed 'General case' 0 C--O 1.235 0.293 0 C-N-CA 119.776 -0.769 . . . . 90.27 110.756 -171.609 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 73' ' ' TYR . 0.6 OUTLIER -53.32 156.33 2.41 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 106.984 -1.488 . . . . 90.26 106.984 167.051 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 10.0 p 73.62 -0.37 3.39 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 123.333 0.653 . . . . 92.74 112.425 -177.259 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 77' ' ' LEU . 0.7 OUTLIER -127.52 -80.69 0.6 Allowed 'General case' 0 C--O 1.236 0.377 0 CA-C-N 119.073 0.851 . . . . 86.54 110.947 173.461 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.468 ' OD2' ' NH1' ' A' ' 80' ' ' ARG . 8.3 p30 -136.21 14.21 3.28 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.677 -0.692 . . . . 89.34 110.593 175.806 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 45.11 33.11 1.02 Allowed 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 123.945 0.898 . . . . 97.68 111.191 179.691 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.468 ' NH1' ' OD2' ' A' ' 78' ' ' ASP . 60.9 mtt85 -84.79 173.29 10.77 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 117.471 -1.691 . . . . 91.23 109.366 179.114 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.428 ' CE1' ' OD1' ' A' ' 71' ' ' ASP . 0.3 OUTLIER -120.78 126.01 49.04 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.312 -0.858 . . . . 113.24 108.87 -175.738 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.416 HG11 ' HB3' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -135.08 156.33 39.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-O 121.765 0.793 . . . . 97.9 109.811 179.171 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 35.9 tttm -96.84 114.68 26.32 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 114.734 -1.121 . . . . 97.42 108.213 165.35 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.403 ' O ' ' HA ' ' A' ' 69' ' ' GLU . . . -104.57 121.51 43.66 Favored 'General case' 0 C--O 1.238 0.475 0 N-CA-C 109.716 -0.476 . . . . 95.77 109.716 -174.116 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.0 tp -118.71 124.65 47.83 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 107.69 -1.226 . . . . 93.39 107.69 177.488 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.8 t -114.29 133.2 61.1 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 N-CA-C 108.963 -0.755 . . . . 89.24 108.963 -173.999 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.33 152.07 40.22 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 123.591 0.757 . . . . 86.2 109.455 -177.662 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.537 ' CH2' ' HB3' ' B' ' 2' ' ' ARG . 94.1 m95 -87.72 138.77 31.18 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.415 -0.357 . . . . 79.98 111.073 176.686 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -127.6 83.59 2.18 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 108.992 -0.744 . . . . 92.1 108.992 170.73 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.481 ' O ' ' NH2' ' B' ' 2' ' ' ARG . . . 84.99 -119.29 4.98 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 108.846 -1.701 . . . . 81.89 108.846 -169.733 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -104.5 8.1 35.47 Favored 'General case' 0 C--O 1.241 0.645 0 C-N-CA 123.37 0.668 . . . . 79.31 112.0 174.258 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 53.7 t -104.1 123.77 58.09 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 C-N-CA 124.28 1.032 . . . . 77.96 109.499 -170.377 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.1 tp -83.87 117.33 23.25 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 123.902 0.881 . . . . 78.45 110.283 -178.589 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.766 HG22 ' HG2' ' A' ' 107' ' ' LYS . 10.1 t -123.12 128.93 75.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 C-N-CA 123.605 0.762 . . . . 87.81 110.003 -170.392 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 9.2 t -124.41 146.79 48.68 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 106.869 -1.53 . . . . 84.54 106.869 175.901 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 27.5 m -126.63 133.68 68.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 106.537 -1.653 . . . . 83.24 106.537 170.576 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.416 ' HB3' HG11 ' A' ' 82' ' ' VAL . 47.6 mt-30 -103.16 101.55 11.51 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.37 -0.604 . . . . 95.59 109.37 -179.638 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -75.76 114.53 14.46 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.196 -0.911 . . . . 98.29 108.996 177.216 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 176.5 -148.92 9.37 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 119.78 -1.2 . . . . 91.39 111.497 -176.068 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -55.69 -48.2 75.5 Favored 'General case' 0 C--O 1.235 0.316 0 O-C-N 123.97 0.453 . . . . 98.3 111.296 -171.059 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -94.93 145.18 25.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.581 0.705 . . . . 93.75 110.817 -176.26 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.76 151.08 22.63 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.765 -0.828 . . . . 110.21 108.765 173.34 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 49.9 m-20 63.94 25.38 13.92 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.428 0.691 . . . . 102.98 112.085 -178.639 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -86.45 107.03 17.88 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 106.662 -1.606 . . . . 88.3 106.662 174.674 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -166.2 179.79 40.08 Favored Glycine 0 N--CA 1.449 -0.495 0 N-CA-C 108.426 -1.87 . . . . 86.77 108.426 178.39 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 58.5 p-90 -152.79 159.52 43.08 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.92 -0.77 . . . . 75.77 108.92 178.193 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.766 ' HG2' HG22 ' A' ' 94' ' ' VAL . 75.1 mttt -129.26 135.1 48.35 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 123.737 0.815 . . . . 74.73 109.806 176.458 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.451 ' HA ' ' O ' ' A' ' 116' ' ' TYR . 16.7 ttpt -135.99 136.55 40.43 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.382 -0.527 . . . . 74.21 110.12 179.404 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.559 ' CD1' ' HG3' ' A' ' 111' ' ' GLU . 11.4 p90 -159.14 161.42 36.29 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 121.711 0.767 . . . . 70.73 112.202 -178.714 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 6.6 mm -105.42 128.4 59.46 Favored 'Isoleucine or valine' 0 C--O 1.239 0.501 0 CA-C-N 115.602 -0.726 . . . . 76.85 109.221 -177.84 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.559 ' HG3' ' CD1' ' A' ' 109' ' ' TRP . 14.9 mt-10 -131.98 90.45 2.82 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 125.246 1.419 . . . . 77.21 108.417 176.105 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 78.65 -114.34 3.9 Favored Glycine 0 N--CA 1.443 -0.869 0 N-CA-C 108.89 -1.684 . . . . 83.45 108.89 179.744 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -116.06 16.61 16.02 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 119.365 -0.934 . . . . 91.4 112.687 -179.565 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 73.2 mttt -120.91 138.18 54.23 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 107.393 -1.336 . . . . 78.45 107.393 177.618 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.0 tt -101.94 126.62 48.89 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 108.866 -0.79 . . . . 67.63 108.866 177.213 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.451 ' O ' ' HA ' ' A' ' 108' ' ' LYS . 42.6 m-85 -104.13 123.87 48.05 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.633 -0.506 . . . . 68.12 109.633 -174.023 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 39.3 tp -123.23 122.88 39.49 Favored 'General case' 0 C--O 1.239 0.539 0 N-CA-C 106.534 -1.654 . . . . 69.85 106.534 176.165 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -107.84 131.98 53.91 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 105.502 -2.036 . . . . 81.59 105.502 174.606 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.489 ' HB2' ' HB3' ' A' ' 126' ' ' CYS . 9.7 mt -122.24 125.46 46.11 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 106.9 -1.518 . . . . 72.01 106.9 178.989 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.35 132.81 45.99 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.473 -0.566 . . . . 84.76 109.473 -174.48 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 18.5 t -142.93 128.33 18.91 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 109.295 -0.631 . . . . 78.58 109.295 167.789 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 65.94 -125.06 27.12 Favored Glycine 0 CA--C 1.522 0.5 0 CA-C-O 121.732 0.629 . . . . 85.88 112.209 -176.604 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 23.6 p-10 -101.07 17.22 22.97 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 122.992 0.517 . . . . 99.44 111.799 175.698 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 41.6 mm-40 -106.89 131.21 54.23 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 124.595 1.158 . . . . 87.33 109.127 -176.373 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.421 ' HB ' HH12 ' A' ' 127' ' ' ARG . 27.4 t -119.96 122.77 69.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 N-CA-C 107.586 -1.264 . . . . 86.55 107.586 177.434 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.489 ' HB3' ' HB2' ' A' ' 119' ' ' LEU . 44.8 t -106.09 131.59 53.18 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 109.611 -0.515 . . . . 73.09 109.611 178.187 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.421 HH12 ' HB ' ' A' ' 125' ' ' VAL . 5.9 mtm-85 -113.08 113.94 26.13 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.283 -0.636 . . . . 91.6 109.283 -176.658 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . . . -112.62 138.77 48.92 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 108.647 -0.871 . . . . 67.83 108.647 179.611 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 79.8 t -136.24 126.41 40.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 C-N-CA 123.132 0.573 . . . . 72.33 109.862 -174.423 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.468 ' HB3' ' HB3' ' B' ' 8' ' ' TRP . 5.2 m-85 -127.98 132.89 49.15 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 109.449 -0.575 . . . . 71.4 109.449 -174.463 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 5.6 pttm -99.17 151.2 21.26 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.574 -0.898 . . . . 85.35 108.574 169.866 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -62.82 178.14 0.49 Allowed 'General case' 0 C--O 1.233 0.236 0 C-N-CA 119.641 -0.824 . . . . 79.12 111.58 -176.745 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.761 ' HD2' ' HB2' ' B' ' 9' ' ' GLU . 2.6 mttm . . . . . 0 C--N 1.324 -0.512 0 O-C-N 121.905 -0.497 . . . . 83.95 111.768 -172.9 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 CA--C 1.537 0.47 0 CA-C-O 122.235 1.017 . . . . 75.17 113.344 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.537 ' HB3' ' CH2' ' A' ' 88' ' ' TRP . 16.8 mtt180 -94.75 3.46 55.0 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 125.365 1.466 . . . . 78.05 112.588 178.768 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -85.12 107.09 17.04 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 109.2 -0.667 . . . . 90.62 109.2 -175.76 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -113.37 11.83 18.65 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 114.149 1.166 . . . . 76.96 114.149 -173.644 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' ASN . . . . . 0.642 HD21 ' HB3' ' B' ' 44' ' ' GLN . 40.0 m-80 -64.74 162.11 16.61 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 119.226 0.921 . . . . 78.85 110.874 177.805 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 117.34 173.31 16.42 Favored Glycine 0 CA--C 1.525 0.67 0 CA-C-O 121.721 0.623 . . . . 73.7 112.071 175.328 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 55.1 m -101.24 121.95 42.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.622 -0.789 . . . . 68.34 109.39 179.471 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' TRP . . . . . 0.468 ' HB3' ' HB3' ' A' ' 130' ' ' PHE . 39.4 m95 -113.02 120.06 40.04 Favored 'General case' 0 CA--C 1.507 -0.696 0 C-N-CA 123.295 0.638 . . . . 66.62 110.312 -173.472 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.761 ' HB2' ' HD2' ' A' ' 133' ' ' LYS . 7.4 tt0 -98.76 124.48 43.65 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.876 -0.787 . . . . 82.05 108.876 174.892 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' MET . . . . . 0.428 ' SD ' ' HB2' ' B' ' 13' ' ' ASN . 36.3 ttm -64.97 138.58 58.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.853 0.359 . . . . 68.91 110.72 178.341 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -122.16 -18.2 6.95 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 114.089 1.144 . . . . 81.04 114.089 178.28 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 4.7 p -152.22 137.83 17.81 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 107.354 -1.351 . . . . 69.9 107.354 173.283 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.428 ' HB2' ' SD ' ' B' ' 10' ' ' MET . 19.1 t-20 -148.66 118.15 6.96 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 107.112 -1.44 . . . . 79.16 107.112 -178.846 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -126.75 149.94 49.36 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 120.896 0.379 . . . . 87.3 110.591 -168.159 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' ASN . . . . . 0.413 ' OD1' ' HA3' ' B' ' 18' ' ' GLY . 38.8 t-20 56.02 26.95 10.59 Favored 'General case' 0 CA--C 1.516 -0.347 0 C-N-CA 123.911 0.884 . . . . 82.95 111.166 -175.823 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -61.95 -41.73 98.31 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 118.775 -1.17 . . . . 73.33 109.646 173.3 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -59.59 -44.08 93.48 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 120.903 -0.319 . . . . 74.05 111.061 179.667 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' GLY . . . . . 0.413 ' HA3' ' OD1' ' B' ' 15' ' ' ASN . . . -64.07 -49.92 63.87 Favored Glycine 0 C--N 1.336 0.547 0 C-N-CA 120.046 -1.073 . . . . 73.97 112.495 179.578 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -54.16 -40.63 67.64 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 117.052 0.426 . . . . 69.56 111.316 177.298 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 54.7 mtm -72.94 -34.75 66.74 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 120.924 -0.31 . . . . 75.75 111.256 179.653 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.97 -52.98 62.72 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 121.266 0.555 . . . . 72.97 110.934 178.263 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.02 -15.99 27.17 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 112.222 0.453 . . . . 75.94 112.222 176.091 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.436 ' O ' ' NH1' ' A' ' 80' ' ' ARG . 12.8 mt -86.71 -5.05 59.23 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 118.743 0.701 . . . . 74.7 111.772 172.525 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 66.5 27.25 9.79 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 124.384 1.073 . . . . 82.93 111.977 179.626 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -66.42 141.64 17.76 Favored 'Isoleucine or valine' 0 C--O 1.243 0.715 0 N-CA-C 106.227 -1.768 . . . . 77.38 106.227 169.265 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -66.94 159.31 28.74 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 121.989 0.9 . . . . 75.53 111.555 -175.657 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -61.62 -38.09 86.35 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 114.646 -1.161 . . . . 77.75 111.747 -172.339 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.27 -50.35 72.07 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 120.028 -0.669 . . . . 78.65 110.704 179.863 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 33.4 m -62.07 -35.54 78.95 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 120.922 -0.311 . . . . 62.7 111.169 -179.805 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' ARG . . . . . 0.513 ' O ' HG13 ' B' ' 34' ' ' VAL . 48.7 mtm-85 -65.05 -48.88 72.24 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 119.439 -0.904 . . . . 72.97 111.277 -178.194 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 mmtm -66.82 -5.3 11.76 Favored 'General case' 0 C--O 1.238 0.485 0 O-C-N 122.098 -0.376 . . . . 74.37 111.79 -175.373 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 1.4 t -89.06 -70.34 0.66 Allowed 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 122.572 0.349 . . . . 82.47 110.938 174.076 -147.976 69.535 -173.6 102.203 2.039 105.249 -89.911 -88.306 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.648 ' HA ' ' HG ' ' B' ' 36' ' ' LEU . . . -53.7 -15.84 1.4 Allowed 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 113.786 1.032 . . . . 64.49 113.786 -171.597 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.513 HG13 ' O ' ' B' ' 30' ' ' ARG . 3.3 m -75.86 -2.09 3.87 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 O-C-N 121.354 -0.841 . . . . 73.21 111.153 174.342 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -97.71 -18.16 19.0 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 112.037 0.384 . . . . 77.07 112.037 169.817 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.648 ' HG ' ' HA ' ' B' ' 33' ' ' ALA . 36.5 mt -73.35 134.12 44.02 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 109.081 -0.711 . . . . 57.54 109.081 -173.765 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' THR . . . . . 0.512 ' O ' ' HA ' ' B' ' 55' ' ' SER . 19.6 m -82.68 148.28 28.01 Favored 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 107.848 -1.167 . . . . 63.81 107.848 163.167 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -123.34 143.49 50.06 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 119.277 -0.969 . . . . 57.05 111.799 -177.8 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 16.7 m -133.48 121.58 22.4 Favored 'General case' 0 CA--C 1.519 -0.234 0 C-N-CA 124.023 0.929 . . . . 59.27 108.942 -175.37 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 10.6 tttp -109.9 137.5 47.6 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.813 -0.44 . . . . 67.38 109.813 -174.105 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 4.0 t -127.83 115.29 38.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 108.416 -0.957 . . . . 68.41 108.416 176.657 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 53.0 mt -107.83 132.55 55.17 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 C-N-CA 124.22 1.008 . . . . 72.21 109.621 -169.675 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' ASP . . . . . 0.675 ' HB3' ' HB2' ' B' ' 50' ' ' LYS . 10.2 t0 -122.74 113.62 19.43 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 108.878 -0.786 . . . . 90.37 108.878 178.733 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.642 ' HB3' HD21 ' B' ' 5' ' ' ASN . 63.5 tt0 -124.75 140.86 52.55 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 122.965 0.506 . . . . 79.92 111.376 -169.004 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -142.51 69.62 1.32 Allowed 'General case' 0 C--N 1.347 0.474 0 CA-C-O 123.088 1.423 . . . . 92.82 108.651 -178.375 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.85 -97.01 1.34 Allowed Glycine 0 N--CA 1.449 -0.462 0 O-C-N 120.911 -1.118 . . . . 80.58 113.522 -172.679 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -110.03 8.32 24.0 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 117.697 0.749 . . . . 89.64 111.843 178.194 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -109.22 122.77 48.03 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.421 -0.585 . . . . 93.7 109.421 -175.029 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -115.8 148.93 39.32 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.608 0.718 . . . . 71.65 112.435 -175.869 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.675 ' HB2' ' HB3' ' B' ' 43' ' ' ASP . 2.8 mppt? -139.02 94.43 2.81 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 106.086 -1.82 . . . . 91.61 106.086 178.603 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -109.65 136.65 48.67 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 117.924 0.329 . . . . 75.88 111.274 -175.754 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 21.3 mttp -134.8 112.26 10.57 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 108.845 -0.798 . . . . 81.53 108.845 -177.941 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' THR . . . . . 0.627 ' O ' ' HB2' ' A' ' 59' ' ' ASN . 2.8 m -97.21 168.84 10.19 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 126.259 1.824 . . . . 66.62 110.294 -178.099 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -141.15 -48.8 0.41 Allowed 'General case' 0 C--N 1.345 0.407 0 N-CA-C 120.351 3.463 . . . . 66.28 120.351 -175.88 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' SER . . . . . 0.512 ' HA ' ' O ' ' B' ' 37' ' ' THR . 0.7 OUTLIER 67.52 107.51 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 120.986 1.721 . . . . 51.65 114.139 179.93 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 53.6 m -125.04 107.6 10.98 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.494 -0.928 . . . . 57.3 108.494 -173.199 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' PHE . . . . . 0.583 ' HB2' HD23 ' B' ' 36' ' ' LEU . 62.4 t80 -85.18 110.64 19.16 Favored 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 107.581 -1.266 . . . . 73.73 107.581 168.071 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' ARG . . . . . 0.792 ' HD2' ' HA ' ' B' ' 76' ' ' SER . 11.1 mmt180 64.66 160.98 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 122.141 0.972 . . . . 81.1 112.931 172.881 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -164.0 142.62 7.52 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 105.203 -2.147 . . . . 76.23 105.203 -178.439 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -131.05 138.1 49.45 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 118.958 -1.097 . . . . 79.9 111.017 179.174 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -115.73 115.29 26.08 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 125.388 1.475 . . . . 77.51 108.048 170.096 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 1.6 p -126.0 117.36 48.67 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 N-CA-C 108.131 -1.063 . . . . 73.29 108.131 168.779 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -128.56 120.99 27.74 Favored 'General case' 0 CA--C 1.518 -0.252 0 C-N-CA 124.306 1.043 . . . . 84.92 108.461 -175.607 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' PHE . . . . . 0.487 ' CE2' HG21 ' B' ' 86' ' ' VAL . 16.6 p90 -145.28 -164.3 1.91 Allowed 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.994 -0.743 . . . . 72.48 108.994 -166.139 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 52.6 m -142.33 138.91 31.59 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 125.521 1.528 . . . . 75.53 109.161 172.026 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 42.5 t -64.4 153.08 7.95 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 CA-C-O 121.501 0.667 . . . . 75.94 109.569 178.962 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.54 -28.96 0.87 Allowed Glycine 0 C--N 1.334 0.468 0 CA-C-N 115.83 -0.623 . . . . 76.45 113.313 -179.045 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 1.1 t -86.01 141.62 14.22 Favored 'Isoleucine or valine' 0 C--O 1.244 0.767 0 CA-C-O 122.159 0.98 . . . . 84.66 109.422 176.248 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -97.18 138.75 34.19 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.824 -1.08 . . . . 96.55 109.278 174.495 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -142.51 169.51 17.45 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 108.296 -1.002 . . . . 94.1 108.296 178.944 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.27 125.54 38.97 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.317 -0.856 . . . . 109.19 109.145 -178.711 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -114.32 119.19 36.12 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 108.092 -1.077 . . . . 91.66 108.092 179.299 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' TYR . . . . . 0.466 ' O ' ' N ' ' B' ' 75' ' ' LYS . 29.8 t80 -94.53 100.12 12.15 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 124.19 0.996 . . . . 91.06 108.878 172.506 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 19.9 p -69.81 53.67 0.12 Allowed 'General case' 0 C--O 1.235 0.298 0 N-CA-C 113.068 0.766 . . . . 81.79 113.068 -168.471 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' B' ' 73' ' ' TYR . 16.5 ttpt -52.53 155.45 2.17 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 108.312 -0.995 . . . . 89.31 108.312 167.999 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' SER . . . . . 0.792 ' HA ' ' HD2' ' B' ' 58' ' ' ARG . 4.3 p 71.34 -2.09 2.53 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 124.697 1.199 . . . . 77.41 111.968 -177.031 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.439 ' HA ' HD23 ' B' ' 77' ' ' LEU . 0.8 OUTLIER -129.28 -76.1 0.55 Allowed 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 118.786 -1.166 . . . . 77.28 109.749 173.559 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' B' ' 78' ' ' ASP . 5.1 p30 -133.31 11.28 4.16 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 113.62 0.971 . . . . 87.03 113.62 175.29 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 4.7 m120 47.94 36.63 6.38 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.746 0.818 . . . . 82.33 112.627 175.999 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -89.73 -177.86 5.37 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 126.828 2.051 . . . . 90.16 110.596 178.024 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -121.6 126.67 49.65 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 123.68 0.792 . . . . 97.53 110.83 179.941 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' VAL . . . . . 0.611 HG11 ' HB3' ' B' ' 97' ' ' GLN . 0.0 OUTLIER -136.18 155.19 34.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 N-CA-C 109.004 -0.739 . . . . 91.02 109.004 171.168 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -98.59 114.79 27.37 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 107.515 -1.291 . . . . 93.19 107.515 162.962 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -104.46 126.18 51.32 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 122.474 0.31 . . . . 86.59 111.094 -172.915 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 8.3 tp -116.57 122.81 45.74 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 108.064 -1.087 . . . . 80.96 108.064 178.17 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' VAL . . . . . 0.487 HG21 ' CE2' ' B' ' 64' ' ' PHE . 3.3 t -113.03 131.57 64.29 Favored 'Isoleucine or valine' 0 C--O 1.239 0.507 0 N-CA-C 108.792 -0.818 . . . . 75.17 108.792 -176.467 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 16.0 p -142.49 151.27 41.51 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.077 0.551 . . . . 64.4 110.089 -176.852 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' TRP . . . . . . . . . . . . . 90.3 m95 -84.3 144.34 28.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.338 0.589 . . . . 65.94 110.287 174.475 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -127.4 80.2 1.94 Allowed 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 104.388 -2.449 . . . . 77.35 104.388 163.519 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' GLY . . . . . 0.602 ' O ' ' NH2' ' A' ' 2' ' ' ARG . . . 82.88 -117.64 4.45 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 119.575 -1.298 . . . . 65.69 111.506 -174.401 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -101.44 7.18 42.64 Favored 'General case' 0 CA--C 1.515 -0.396 0 C-N-CA 123.685 0.794 . . . . 72.18 111.831 175.886 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' VAL . . . . . 0.507 HG12 HG23 ' B' ' 94' ' ' VAL . 29.5 t -104.23 119.5 53.13 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.48 0 N-CA-C 107.844 -1.169 . . . . 64.01 107.844 -175.318 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' B' ' 93' ' ' LEU . 8.8 tp -83.6 121.15 26.86 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 107.81 -1.182 . . . . 62.03 107.81 178.589 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' VAL . . . . . 0.507 HG23 HG12 ' B' ' 92' ' ' VAL . 4.6 t -121.02 127.44 75.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 110.294 -0.261 . . . . 67.6 110.294 -167.686 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' CYS . . . . . 0.51 ' SG ' ' N ' ' B' ' 96' ' ' VAL . 8.5 t -126.41 148.48 49.61 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 121.602 0.715 . . . . 69.02 110.909 175.573 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' VAL . . . . . 0.626 HG21 ' HE2' ' B' ' 98' ' ' LYS . 20.7 m -127.9 132.46 68.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 N-CA-C 106.532 -1.655 . . . . 74.42 106.532 170.157 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.611 ' HB3' HG11 ' B' ' 82' ' ' VAL . 51.1 mt-30 -106.19 94.19 5.03 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 105.198 -2.149 . . . . 82.3 105.198 176.308 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' LYS . . . . . 0.626 ' HE2' HG21 ' B' ' 96' ' ' VAL . 12.4 mmtt -78.09 119.14 21.08 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 107.195 -1.409 . . . . 91.68 107.195 178.415 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . -178.46 -149.07 7.88 Favored Glycine 0 N--CA 1.443 -0.895 0 N-CA-C 109.55 -1.42 . . . . 90.82 109.55 -173.632 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -54.46 -49.14 70.76 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 120.977 0.418 . . . . 99.33 111.93 -167.081 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -93.99 156.6 16.52 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 122.254 1.026 . . . . 85.46 111.68 -169.715 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.13 148.85 29.4 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.723 -1.126 . . . . 108.13 109.792 174.706 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 37.4 m-20 62.61 25.01 14.9 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.448 1.099 . . . . 86.22 113.265 175.784 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 39.2 ttt180 -82.33 104.17 12.44 Favored 'General case' 0 C--N 1.331 -0.225 0 O-C-N 120.339 -1.476 . . . . 84.77 109.99 -176.723 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . -168.4 -176.97 39.15 Favored Glycine 0 C--N 1.333 0.367 0 N-CA-C 110.4 -1.08 . . . . 73.61 110.4 -179.865 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' TRP . . . . . . . . . . . . . 42.4 p-90 -152.76 161.46 42.53 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 122.411 1.1 . . . . 64.48 112.03 178.281 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' LYS . . . . . 0.419 ' O ' HD12 ' B' ' 117' ' ' LEU . 75.9 mttt -124.18 136.3 54.09 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 113.985 -1.461 . . . . 61.25 108.589 177.857 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' LYS . . . . . 0.548 ' HG2' HD11 ' B' ' 115' ' ' LEU . 3.5 ttpt -133.13 133.65 43.17 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 107.831 -1.174 . . . . 60.51 107.831 177.573 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' TRP . . . . . 0.457 ' HB3' HG22 ' B' ' 92' ' ' VAL . 9.7 p90 -158.13 154.52 27.6 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 119.208 -0.997 . . . . 68.47 108.677 176.336 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' ILE . . . . . 0.437 HD11 ' HG2' ' A' ' 4' ' ' GLN . 4.9 mm -106.44 137.0 39.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 108.244 -1.021 . . . . 71.06 108.244 -176.388 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -123.73 79.3 1.69 Allowed 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 107.235 -1.395 . . . . 87.1 107.235 170.19 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . 78.96 -105.67 2.26 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 118.888 -1.625 . . . . 66.99 116.74 177.563 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -100.08 3.89 44.28 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 125.788 1.635 . . . . 78.37 111.854 -175.198 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -133.74 140.9 47.27 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 122.582 0.353 . . . . 66.73 111.177 179.754 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.548 HD11 ' HG2' ' B' ' 108' ' ' LYS . 13.3 tp -100.38 128.52 46.43 Favored 'General case' 0 CA--C 1.514 -0.421 0 C-N-CA 124.341 1.057 . . . . 59.66 109.027 174.023 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -104.14 131.51 51.36 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 124.039 0.936 . . . . 65.25 109.032 -179.667 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' LEU . . . . . 0.518 HD13 ' HG3' ' B' ' 108' ' ' LYS . 27.2 tp -123.12 128.63 50.35 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 108.522 -0.918 . . . . 55.32 108.522 174.915 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -115.07 127.45 55.63 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 108.373 -0.973 . . . . 81.93 108.373 171.922 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 119' ' ' LEU . . . . . 0.696 ' HB2' ' HB3' ' B' ' 126' ' ' CYS . 7.4 mt -120.39 127.15 52.02 Favored 'General case' 0 CA--C 1.513 -0.452 0 C-N-CA 123.896 0.879 . . . . 60.6 109.875 -177.046 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 120' ' ' THR . . . . . 0.584 HG22 HG22 ' B' ' 125' ' ' VAL . 12.7 p -131.52 135.59 47.18 Favored 'General case' 0 CA--C 1.515 -0.398 0 O-C-N 123.686 0.616 . . . . 68.78 110.083 -177.67 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 37.5 t -139.16 131.91 29.08 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 107.877 -1.157 . . . . 80.21 107.877 165.228 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 62.05 -122.3 28.17 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 118.662 -1.733 . . . . 84.12 109.872 -179.693 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 -101.35 6.35 42.66 Favored 'General case' 0 C--O 1.24 0.556 0 C-N-CA 124.184 0.994 . . . . 89.03 113.286 178.32 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 124' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -107.85 132.77 53.09 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 118.308 0.504 . . . . 87.52 111.366 -169.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 125' ' ' VAL . . . . . 0.584 HG22 HG22 ' B' ' 120' ' ' THR . 0.9 OUTLIER -117.06 122.11 69.29 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 C-N-CA 124.16 0.984 . . . . 69.82 108.599 -176.215 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 126' ' ' CYS . . . . . 0.696 ' HB3' ' HB2' ' B' ' 119' ' ' LEU . 29.7 t -107.4 127.99 54.07 Favored 'General case' 0 C--O 1.239 0.537 0 N-CA-C 109.474 -0.565 . . . . 61.67 109.474 172.952 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 38.5 mtt-85 -115.28 112.99 23.26 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 108.964 -0.754 . . . . 86.07 108.964 -177.105 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 128' ' ' GLN . . . . . 0.656 ' HG2' HD22 ' A' ' 13' ' ' ASN . 23.3 mt-30 -112.84 144.66 42.01 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 123.79 0.836 . . . . 62.15 109.011 -179.336 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 129' ' ' VAL . . . . . . . . . . . . . 82.8 t -134.52 126.63 48.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 109.445 -0.576 . . . . 60.61 109.445 -176.723 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 130' ' ' PHE . . . . . 0.413 ' HB3' ' HB3' ' A' ' 8' ' ' TRP . 4.1 m-85 -124.09 139.52 53.86 Favored 'General case' 0 CA--C 1.518 -0.272 0 C-N-CA 125.052 1.341 . . . . 62.71 110.551 -172.251 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -104.53 147.55 27.47 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 123.268 0.627 . . . . 70.95 110.857 170.162 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -177.38 0.46 Allowed 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.305 1.042 . . . . 82.23 110.495 -178.748 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.547 0 C-N-CA 119.366 -0.934 . . . . 81.86 112.804 -176.724 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_