data_6wp2_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 6wp2 _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 . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.235 0.304 0 CA-C-O 120.906 0.384 . . . . 96.8 111.756 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -113.83 39.39 2.7 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.693 -0.685 . . . . 78.68 111.301 176.147 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -117.69 112.76 20.92 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 108.44 -0.948 . . . . 80.53 108.44 176.064 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -107.18 8.03 29.83 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.702 0.631 . . . . 71.64 112.702 -176.364 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' A' ' 44' ' ' GLN . 15.8 m-80 -61.38 141.37 57.67 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 119.663 -0.815 . . . . 73.95 110.631 -173.196 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 135.74 -170.59 23.04 Favored Glycine 0 N--CA 1.442 -0.951 0 CA-C-O 122.531 1.073 . . . . 72.77 112.618 168.862 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.8 m -113.36 123.2 49.55 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 107.511 -1.292 . . . . 67.67 107.511 -177.311 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 76.8 m95 -122.92 116.18 23.18 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 109.137 -0.69 . . . . 70.72 109.137 -168.389 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' B' ' 131' ' ' LYS . 45.6 mt-10 -96.1 118.97 33.75 Favored 'General case' 0 C--N 1.345 0.392 0 O-C-N 124.076 0.86 . . . . 87.47 110.166 -175.856 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 37.2 ttm -55.09 146.62 17.88 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 121.546 0.689 . . . . 56.66 110.607 176.156 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -138.62 -7.06 1.48 Allowed 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 125.603 1.561 . . . . 82.51 112.843 174.257 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t -155.07 144.6 21.29 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 119.55 1.068 . . . . 61.16 109.058 179.44 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -156.48 92.18 1.29 Allowed 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 107.86 -1.163 . . . . 62.62 107.86 -174.792 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . . . -93.75 136.59 33.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.0 -0.545 . . . . 49.81 111.138 175.146 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 45.1 t30 56.0 39.3 30.52 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 124.797 1.239 . . . . 60.29 113.315 174.349 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -59.58 -37.79 79.44 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 119.158 -1.017 . . . . 60.49 110.351 169.416 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLU . . . . . 0.649 ' OE1' ' NH1' ' A' ' 30' ' ' ARG . 40.9 tt0 -79.12 -35.18 42.63 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 118.353 -1.339 . . . . 78.5 112.196 -171.282 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -55.3 -44.2 84.53 Favored Glycine 0 C--O 1.243 0.664 0 C-N-CA 119.314 -1.422 . . . . 54.81 112.114 168.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -62.36 -38.34 89.16 Favored 'General case' 0 C--O 1.236 0.353 0 O-C-N 122.28 -0.541 . . . . 61.12 110.955 178.314 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.2 mtm -74.76 -40.76 61.02 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 119.187 -1.005 . . . . 56.19 111.949 -178.259 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.2 mtpt -60.24 -40.03 88.8 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.311 -0.556 . . . . 65.48 110.662 176.24 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.55 -26.86 68.89 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 119.933 -0.707 . . . . 56.13 112.419 179.402 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.9 mt -82.32 1.12 38.47 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 113.343 0.868 . . . . 56.16 113.343 172.146 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 64.41 36.76 8.72 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.206 1.002 . . . . 65.26 111.673 179.146 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 31.1 mt -79.65 138.65 19.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.267 -0.642 . . . . 55.21 109.267 -178.221 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.21 160.81 14.82 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 118.965 -1.094 . . . . 69.47 110.995 -170.452 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -57.85 -45.34 86.39 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-N 115.174 -0.921 . . . . 57.6 111.411 -174.843 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.94 -44.07 86.16 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 119.976 -0.69 . . . . 48.56 111.228 -172.042 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.8 m -60.37 -42.15 95.22 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 119.758 -0.777 . . . . 56.04 110.52 174.429 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ARG . . . . . 0.649 ' NH1' ' OE1' ' A' ' 17' ' ' GLU . 61.9 mtm-85 -55.82 -30.18 60.98 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 119.758 -0.777 . . . . 52.57 111.651 176.968 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.6 mmtt -86.56 -24.91 25.28 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 119.786 -0.765 . . . . 56.51 111.531 178.109 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 89.5 mt -69.04 -72.45 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.561 0 N-CA-C 106.621 -1.622 . . . . 53.86 106.621 176.763 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.38 127.26 32.02 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 109.361 -0.607 . . . . 66.12 109.361 171.277 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.6 p 130.6 -28.97 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 N-CA-C 105.669 -1.974 . . . . 53.18 105.669 -165.033 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.2 mtp85 -97.18 4.67 51.02 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.315 -0.554 . . . . 62.55 112.448 168.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.0 mt -105.03 144.01 32.43 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 118.586 0.63 . . . . 48.33 110.888 -168.39 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.8 m -101.68 155.2 18.26 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 107.005 -1.48 . . . . 58.47 107.005 163.431 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -133.12 129.65 38.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.811 -0.631 . . . . 56.79 109.627 -169.0 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.7 m -121.88 118.18 28.29 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 108.393 -0.965 . . . . 64.62 108.393 171.214 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -97.09 130.1 44.42 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 122.962 0.505 . . . . 73.13 110.468 -177.679 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.3 t -100.51 125.2 54.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 N-CA-C 108.213 -1.032 . . . . 63.25 108.213 173.878 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 69.7 mt -126.65 119.21 52.96 Favored 'Isoleucine or valine' 0 C--O 1.241 0.616 0 N-CA-C 109.114 -0.699 . . . . 66.58 109.114 -177.826 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -108.55 107.93 18.63 Favored 'General case' 0 C--O 1.241 0.628 0 N-CA-C 107.646 -1.242 . . . . 80.62 107.646 172.176 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLN . . . . . 0.429 ' O ' ' ND2' ' A' ' 5' ' ' ASN . 28.1 tt0 -114.88 130.97 57.0 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.251 -0.431 . . . . 74.86 110.779 -178.851 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.94 103.88 9.14 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.232 -1.396 . . . . 86.75 107.232 170.346 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' GLY . . . . . 0.403 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . 55.78 -105.04 0.38 Allowed Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.7 -0.762 . . . . 67.62 111.779 -172.182 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -109.2 -0.91 19.04 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 112.749 0.648 . . . . 70.34 112.749 -179.08 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -86.0 131.11 34.35 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.883 -0.784 . . . . 74.32 108.883 174.174 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -128.22 137.9 52.22 Favored 'General case' 0 CA--C 1.518 -0.286 0 C-N-CA 122.846 0.458 . . . . 59.78 111.074 -174.409 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.2 mttm -129.44 126.27 38.36 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 108.926 -0.768 . . . . 71.04 108.926 165.11 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 36.3 p -120.7 134.7 55.27 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.508 -0.923 . . . . 71.0 108.508 -179.698 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -111.29 -31.41 7.07 Favored 'General case' 0 C--O 1.226 -0.17 0 N-CA-C 115.851 1.797 . . . . 88.17 115.851 -175.236 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 54.68 117.48 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 116.634 2.087 . . . . 70.53 116.634 166.119 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 40.4 p -133.13 154.59 50.45 Favored 'General case' 0 N--CA 1.451 -0.395 0 O-C-N 121.438 -0.788 . . . . 64.75 109.116 -178.51 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.7 m -125.87 144.21 50.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.988 -0.551 . . . . 63.31 110.503 -176.621 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.9 t -138.57 157.8 45.47 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 107.644 -1.243 . . . . 66.19 107.644 -179.745 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -74.54 132.98 42.29 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 119.245 -0.982 . . . . 62.05 109.734 179.725 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . . . -71.69 143.21 49.76 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.521 0.677 . . . . 73.66 111.881 -169.152 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -80.25 161.22 25.27 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-O 122.4 1.095 . . . . 59.11 110.657 -179.74 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -139.45 119.05 13.06 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.146 -1.427 . . . . 62.77 107.146 -172.364 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -107.97 131.98 53.98 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 123.159 0.583 . . . . 73.06 109.846 -174.731 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' VAL . . . . . 0.508 ' O ' ' OG1' ' C' ' 51' ' ' THR . 5.0 t -128.67 120.56 52.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.496 0 N-CA-C 106.569 -1.641 . . . . 74.26 106.569 169.975 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -125.62 136.78 53.63 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.699 -0.852 . . . . 94.54 108.699 172.498 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -152.81 172.02 17.37 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 108.918 -0.771 . . . . 74.47 108.918 -177.202 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.0 p -129.02 137.72 51.49 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 108.409 -0.96 . . . . 80.88 108.409 171.9 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.6 t -68.2 142.38 16.43 Favored 'Isoleucine or valine' 0 C--O 1.238 0.497 0 CA-C-O 121.644 0.735 . . . . 66.45 110.725 -167.177 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 86' ' ' VAL . . . 77.02 1.77 75.02 Favored Glycine 0 N--CA 1.44 -1.073 0 N-CA-C 115.181 0.832 . . . . 73.5 115.181 178.807 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.4 t -119.72 128.37 75.9 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-N 118.714 1.257 . . . . 61.97 107.783 172.881 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . . . -53.39 160.72 1.11 Allowed 'General case' 0 C--O 1.234 0.24 0 O-C-N 123.591 0.557 . . . . 74.67 110.695 175.195 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -161.41 164.94 29.55 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.004 -1.11 . . . . 71.8 108.004 169.329 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -96.25 107.98 20.41 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.738 -0.664 . . . . 74.3 109.977 -174.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -89.24 132.51 34.85 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 105.516 -2.031 . . . . 73.41 105.516 169.161 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -113.03 112.29 23.62 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 104.952 -2.24 . . . . 86.29 104.952 164.255 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 81.4 p -83.5 65.96 8.67 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 123.076 1.417 . . . . 61.81 109.723 -163.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' LYS . . . . . 0.416 ' O ' ' OG ' ' A' ' 76' ' ' SER . 35.8 mtmt -64.59 173.15 2.28 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 118.298 -1.361 . . . . 79.63 108.53 161.265 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' SER . . . . . 0.416 ' OG ' ' O ' ' A' ' 75' ' ' LYS . 52.6 p 61.71 -4.01 0.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.265 -0.879 . . . . 64.06 112.608 -170.038 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 22.3 mt -136.56 -98.95 0.21 Allowed 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 118.521 0.6 . . . . 56.18 110.869 174.605 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -106.46 -2.74 21.7 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 113.085 0.772 . . . . 56.78 113.085 -169.317 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.8 m-20 61.98 41.08 11.62 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 118.41 0.55 . . . . 71.09 111.616 176.349 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 58.4 mtt85 -109.85 156.88 19.81 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 120.054 -0.659 . . . . 59.91 110.285 179.089 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -88.71 129.42 35.54 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 115.237 -0.892 . . . . 77.03 109.994 169.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.1 m -137.21 152.21 27.65 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 N-CA-C 108.22 -1.03 . . . . 67.9 108.22 174.152 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -100.58 113.76 26.85 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 106.801 -1.555 . . . . 76.92 106.801 170.149 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -101.38 143.01 31.94 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.589 -0.732 . . . . 64.73 109.191 -173.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 30.2 tp -136.28 125.45 24.6 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 108.647 -0.872 . . . . 66.82 108.647 171.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 67' ' ' GLY . 43.3 t -108.61 118.46 56.25 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 N-CA-C 107.598 -1.26 . . . . 60.28 107.598 -177.646 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 32.3 p -114.72 169.85 8.76 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 125.642 1.577 . . . . 62.15 108.908 177.109 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 84.8 m95 -100.24 152.11 20.67 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.437 0.637 . . . . 70.7 109.316 175.073 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -140.86 97.18 3.14 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 103.796 -2.668 . . . . 71.22 103.796 167.809 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' GLY . . . . . 0.401 ' O ' ' NH2' ' C' ' 2' ' ' ARG . . . 58.04 -115.58 7.13 Favored Glycine 0 N--CA 1.444 -0.807 0 N-CA-C 107.6 -2.2 . . . . 62.39 107.6 -166.6 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -108.41 18.98 20.38 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 112.72 0.637 . . . . 79.59 112.72 -178.948 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 41.2 t -107.41 116.85 51.92 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 N-CA-C 108.316 -0.994 . . . . 61.99 108.316 -176.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -64.41 121.97 15.63 Favored 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 108.709 -0.849 . . . . 66.9 108.709 165.503 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 79.5 t -117.92 126.06 74.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 107.599 -1.26 . . . . 60.46 107.599 173.4 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 1.4 t -127.88 140.26 52.12 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 107.481 -1.303 . . . . 65.68 107.481 -174.571 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 85.7 t -115.76 135.03 57.15 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 N-CA-C 107.171 -1.418 . . . . 64.16 107.171 174.427 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -112.54 88.11 2.74 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 105.597 -2.001 . . . . 67.05 105.597 178.556 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.5 ttmm -69.52 143.97 53.28 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-O 122.012 0.91 . . . . 82.51 109.275 176.959 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 157.52 -148.65 18.51 Favored Glycine 0 N--CA 1.432 -1.577 0 N-CA-C 107.236 -2.345 . . . . 60.99 107.236 -163.404 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -78.54 -43.25 27.16 Favored 'General case' 0 CA--C 1.494 -1.195 0 C-N-CA 118.103 -1.439 . . . . 96.64 113.79 -172.272 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -76.73 126.64 31.33 Favored 'General case' 0 N--CA 1.437 -1.116 0 C-N-CA 118.124 -1.431 . . . . 65.76 107.728 -176.028 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -73.43 144.3 46.38 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 109.002 -0.74 . . . . 78.9 109.002 171.866 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 59.5 t30 57.39 47.22 16.91 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-O 121.883 0.849 . . . . 73.77 111.309 178.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -110.63 124.34 51.71 Favored 'General case' 0 C--O 1.242 0.693 0 N-CA-C 108.711 -0.848 . . . . 64.17 108.711 176.709 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -171.89 -154.37 9.95 Favored Glycine 0 C--O 1.245 0.792 0 C-N-CA 120.81 -0.709 . . . . 54.84 111.785 172.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 19.6 p-90 -165.47 167.58 17.41 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 119.079 -1.048 . . . . 60.19 109.713 174.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -138.82 141.77 38.71 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 107.608 -1.256 . . . . 64.98 107.608 -178.182 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -144.82 131.02 19.5 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.783 -1.191 . . . . 77.25 107.783 -172.218 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 23.1 p90 -157.68 157.38 33.43 Favored 'General case' 0 N--CA 1.462 0.161 0 C-N-CA 119.136 -1.025 . . . . 60.61 110.95 178.833 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 6.7 mm -99.69 135.72 33.94 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.35 0 CA-C-N 114.996 -1.002 . . . . 66.36 108.306 178.38 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -134.77 86.88 2.29 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 106.209 -1.774 . . . . 73.52 106.209 173.483 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 80.49 -114.93 3.94 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.837 -0.619 . . . . 74.16 113.645 179.045 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.47 -5.37 58.28 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.581 0.586 . . . . 97.97 112.581 179.123 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 48.3 mttp -120.58 148.8 43.4 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.867 0.842 . . . . 70.93 111.808 -168.9 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.2 tt -105.74 135.16 47.67 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.412 -1.267 . . . . 65.7 107.805 172.44 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -117.44 137.34 52.57 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 107.855 -1.165 . . . . 59.86 107.855 -177.996 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 37.1 tp -139.36 118.9 12.99 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 108.193 -1.039 . . . . 54.07 108.193 -178.9 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -112.65 113.42 25.55 Favored 'General case' 0 C--O 1.24 0.603 0 N-CA-C 108.197 -1.038 . . . . 68.87 108.197 174.372 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.7 mt -95.51 129.63 42.61 Favored 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 108.102 -1.073 . . . . 59.48 108.102 178.211 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 17.2 m -124.89 137.11 54.29 Favored 'General case' 0 C--O 1.243 0.747 0 C-N-CA 120.766 -0.374 . . . . 51.58 111.048 -175.622 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 43.2 t -144.09 111.89 6.16 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 107.427 -1.323 . . . . 58.62 107.427 169.337 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 58.22 -126.47 42.49 Favored Glycine 0 C--N 1.338 0.64 0 N-CA-C 111.185 -0.766 . . . . 57.84 111.185 -176.763 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 26.9 p-10 -81.86 -3.94 55.3 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 113.237 0.828 . . . . 73.36 113.237 -177.69 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 -105.84 131.52 53.07 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-N 119.071 0.851 . . . . 59.98 110.525 -169.704 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 25.4 t -126.49 135.44 63.74 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 N-CA-C 108.325 -0.991 . . . . 52.23 108.325 179.934 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 5.6 t -120.81 124.51 45.23 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 124.817 1.247 . . . . 44.85 109.382 -179.546 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 43.5 mtt-85 -113.61 118.03 33.25 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.937 -0.394 . . . . 50.02 109.937 -172.946 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -120.51 146.99 45.73 Favored 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 123.501 0.5 . . . . 45.29 110.364 -178.694 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 45.2 t -131.35 137.46 55.42 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 N-CA-C 108.876 -0.787 . . . . 55.69 108.876 -177.078 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -128.51 131.06 48.29 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.238 0.615 . . . . 71.26 110.459 -175.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -90.94 129.91 36.92 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 109.492 -0.559 . . . . 84.63 109.492 173.221 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -74.06 121.82 21.7 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.343 -0.614 . . . . 78.45 109.343 178.209 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 2.6 tppt? . . . . . 0 C--O 1.24 0.556 0 C-N-CA 119.65 -0.82 . . . . 97.32 109.046 172.501 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 90.2 m . . . . . 0 CA--C 1.54 0.594 0 N-CA-C 115.289 1.588 . . . . 103.77 115.289 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 5.8 ttm180 -127.78 9.76 6.46 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 112.839 0.681 . . . . 102.09 112.839 176.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -132.95 135.84 45.75 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 119.023 0.829 . . . . 87.21 111.755 179.336 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' B' ' 4' ' ' PHE . 2.1 m-85 -115.5 12.45 16.21 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 125.491 1.516 . . . . 80.23 113.322 -165.622 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' ASN . . . . . 0.496 ' OD1' ' N ' ' B' ' 44' ' ' GLN . 1.5 m120 -60.43 130.03 44.58 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 119.113 0.869 . . . . 73.59 110.623 -171.457 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 141.71 -177.19 21.46 Favored Glycine 0 N--CA 1.442 -0.929 0 CA-C-N 115.45 -0.795 . . . . 66.89 112.903 178.111 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 6.4 p -109.71 120.36 42.23 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 108.24 -1.022 . . . . 84.51 108.24 177.09 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' TRP . . . . . . . . . . . . . 96.0 m95 -107.48 120.81 43.21 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 124.251 1.02 . . . . 70.6 109.76 -171.691 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -101.28 124.63 47.28 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 123.928 0.891 . . . . 92.89 110.17 -179.788 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' MET . . . . . 0.6 ' SD ' ' O1 ' ' B' ' 202' ' ' GOL . 0.5 OUTLIER -74.93 135.17 41.44 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 116.503 -0.317 . . . . 59.18 111.427 -172.992 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -117.67 -12.27 10.31 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 115.107 1.521 . . . . 81.61 115.107 179.303 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 5.1 p -154.35 153.91 32.43 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 107.219 -1.4 . . . . 48.65 107.219 178.669 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -163.86 98.24 0.86 Allowed 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 109.703 -0.48 . . . . 49.78 109.703 -171.983 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -104.27 140.55 37.7 Favored 'General case' 0 N--CA 1.457 -0.082 0 O-C-N 123.423 0.452 . . . . 81.08 111.515 -170.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 55.8 t30 59.03 27.99 17.11 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 112.856 0.687 . . . . 54.68 112.856 173.428 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -57.63 -45.44 85.41 Favored 'General case' 0 C--O 1.246 0.886 0 C-N-CA 120.448 -0.501 . . . . 56.32 111.244 175.774 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -67.56 -30.9 70.65 Favored 'General case' 0 CA--C 1.512 -0.492 0 C-N-CA 119.934 -0.706 . . . . 62.05 111.389 179.742 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -66.1 -46.67 78.82 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 118.924 -1.608 . . . . 45.95 111.128 175.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -55.46 -44.52 76.49 Favored 'General case' 0 N--CA 1.451 -0.394 0 O-C-N 122.586 -0.361 . . . . 57.11 110.24 177.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 76.7 mtp -74.07 -31.33 62.81 Favored 'General case' 0 C--N 1.344 0.336 0 C-N-CA 119.411 -0.915 . . . . 64.56 112.054 -176.301 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 38.8 mttt -68.52 -26.28 65.36 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 118.282 -1.367 . . . . 78.61 110.422 174.077 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.41 -26.25 61.79 Favored 'General case' 0 C--O 1.242 0.674 0 C-N-CA 118.669 -1.212 . . . . 48.73 110.761 175.859 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 32.2 mt -87.0 10.07 17.56 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.86 0.689 . . . . 52.42 112.86 172.93 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' ASP . . . . . 0.472 ' OD2' ' NZ ' ' C' ' 101' ' ' LYS . 9.8 m-20 60.26 17.13 6.72 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 118.8 0.727 . . . . 56.6 112.427 179.716 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 44.3 mt -61.2 136.88 24.29 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 O-C-N 121.599 -0.688 . . . . 53.4 110.251 -178.493 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -67.62 166.07 15.77 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 122.2 1.0 . . . . 53.38 110.975 -168.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -70.52 -39.63 73.95 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.04 -0.982 . . . . 64.64 112.005 -168.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.48 -54.07 45.46 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 121.629 -0.67 . . . . 49.24 111.058 179.4 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 1.6 m -50.31 -40.64 49.23 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 120.296 -0.562 . . . . 51.7 111.757 172.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 77.7 mtm-85 -64.29 -43.15 95.68 Favored 'General case' 0 C--O 1.245 0.849 0 C-N-CA 119.745 -0.782 . . . . 62.78 111.704 179.947 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 10.7 mmtm -62.33 -29.28 70.34 Favored 'General case' 0 C--O 1.241 0.615 0 C-N-CA 120.395 -0.522 . . . . 57.38 111.407 175.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 20.5 mt -67.93 -50.04 63.09 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 C-N-CA 118.765 -1.174 . . . . 47.94 109.52 171.661 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.64 -44.76 90.17 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 116.15 -0.477 . . . . 52.45 111.354 -170.271 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 17.1 m -71.85 -5.04 5.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 N-CA-C 113.235 0.828 . . . . 60.34 113.235 -170.392 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 60.6 mtp85 -99.56 6.1 45.86 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 113.557 0.947 . . . . 64.27 113.557 174.756 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 20.5 mt -107.44 152.17 24.56 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 118.375 0.534 . . . . 53.2 110.975 -171.01 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 15.0 t -122.25 149.94 43.0 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 107.179 -1.415 . . . . 54.36 107.179 168.59 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -117.6 150.92 38.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.343 0.592 . . . . 61.61 111.498 -171.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 76.7 p -139.34 114.26 9.42 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 107.574 -1.269 . . . . 65.14 107.574 169.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -96.2 140.69 30.53 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 123.437 0.695 . . . . 64.25 110.13 -176.473 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 34.7 m -110.64 123.89 66.94 Favored 'Isoleucine or valine' 0 C--O 1.241 0.629 0 N-CA-C 107.513 -1.291 . . . . 70.23 107.513 179.08 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 74.1 mt -127.83 122.59 59.1 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 N-CA-C 109.199 -0.667 . . . . 76.69 109.199 -169.288 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -122.97 133.1 54.39 Favored 'General case' 0 C--O 1.242 0.665 0 N-CA-C 109.0 -0.741 . . . . 87.2 109.0 170.003 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' GLN . . . . . 0.496 ' N ' ' OD1' ' B' ' 5' ' ' ASN . 43.2 tt0 -120.01 131.44 55.14 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 108.293 -1.003 . . . . 78.69 108.293 -177.101 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -124.15 105.75 9.77 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 106.567 -1.642 . . . . 87.1 106.567 160.646 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 63.19 -127.5 38.03 Favored Glycine 0 C--N 1.334 0.43 0 N-CA-C 109.493 -1.443 . . . . 70.05 109.493 -176.235 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -85.31 1.03 50.15 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 118.784 -0.627 . . . . 68.48 112.346 176.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -87.19 123.1 31.85 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 123.752 0.821 . . . . 67.03 110.678 -175.837 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -119.59 130.26 55.03 Favored 'General case' 0 C--O 1.242 0.67 0 CA-C-N 116.099 -0.501 . . . . 63.68 111.459 -177.536 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . . . -114.3 123.07 48.61 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 107.344 -1.354 . . . . 69.21 107.344 164.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 32.0 p -135.85 134.97 39.4 Favored 'General case' 0 C--O 1.236 0.343 0 O-C-N 123.038 0.211 . . . . 69.63 110.71 178.772 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 6.1 ttpp -126.92 124.61 39.93 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.55 0.531 . . . . 81.4 110.659 177.396 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.08 126.91 38.41 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 124.136 0.974 . . . . 68.6 111.056 -179.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 15.1 m -122.75 155.65 36.07 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 125.018 1.327 . . . . 71.28 108.906 -175.026 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' SER . . . . . 0.425 ' O ' ' OG1' ' B' ' 56' ' ' THR . 0.9 OUTLIER -110.48 -106.52 0.36 Allowed 'General case' 0 C--O 1.251 1.179 0 N-CA-C 111.559 0.207 . . . . 76.11 111.559 -169.426 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' B' ' 55' ' ' SER . 18.2 p 74.6 152.74 0.13 Allowed 'General case' 0 C--N 1.35 0.599 0 C-N-CA 128.295 2.638 . . . . 60.94 112.925 -160.486 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -85.22 147.92 26.34 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 122.108 0.956 . . . . 52.85 111.591 -174.762 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 6.3 tp -65.01 143.58 57.85 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 114.519 -1.219 . . . . 63.32 111.308 -178.416 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -98.07 153.59 18.31 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.709 -0.678 . . . . 71.57 109.433 174.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -136.99 126.76 25.55 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 108.872 -0.788 . . . . 67.78 108.872 -169.539 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -117.31 121.55 41.46 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 123.018 0.527 . . . . 81.36 110.819 -169.934 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 54.6 t -115.22 111.16 34.63 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 N-CA-C 106.43 -1.693 . . . . 65.34 106.43 178.154 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -111.89 145.37 39.63 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 110.254 -0.276 . . . . 65.43 110.254 177.907 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -169.99 156.61 6.17 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.41 0.624 . . . . 64.25 109.88 -176.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 89.5 m -106.27 144.36 33.07 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 107.631 -1.248 . . . . 60.93 107.631 166.005 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 t -66.4 134.39 29.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 N-CA-C 109.215 -0.661 . . . . 63.62 109.215 179.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 86.4 -9.65 69.71 Favored Glycine 0 N--CA 1.438 -1.179 0 N-CA-C 115.611 1.005 . . . . 67.98 115.611 -178.924 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 45.9 t -103.14 121.8 54.82 Favored 'Isoleucine or valine' 0 C--O 1.242 0.678 0 CA-C-N 119.179 1.489 . . . . 55.87 108.094 179.569 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 54.3 tt0 -64.42 143.84 57.61 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.441 -0.577 . . . . 67.2 109.441 175.926 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -150.49 152.07 33.67 Favored 'General case' 0 CA--C 1.517 -0.325 0 C-N-CA 118.277 -1.369 . . . . 56.06 109.653 177.012 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -76.6 117.76 18.56 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.368 -0.833 . . . . 71.68 109.076 173.183 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . . . -103.94 131.89 50.73 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 108.685 -0.857 . . . . 58.85 108.685 164.399 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -100.95 112.49 24.95 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 106.604 -1.628 . . . . 75.4 106.604 168.064 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' THR . . . . . 0.415 ' OG1' ' OD1' ' B' ' 78' ' ' ASP . 36.8 p -82.86 59.19 4.7 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 122.874 1.321 . . . . 59.55 111.396 -167.34 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -55.87 167.73 0.54 Allowed 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 118.605 -1.238 . . . . 71.42 107.761 158.073 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 8.6 p 73.55 -21.74 0.25 Allowed 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 113.105 0.78 . . . . 70.39 113.105 -175.413 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.6 mp -129.22 -89.14 0.51 Allowed 'General case' 0 C--O 1.234 0.28 0 C-N-CA 117.788 -1.565 . . . . 75.42 111.409 170.989 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' ASP . . . . . 0.415 ' OD1' ' OG1' ' B' ' 74' ' ' THR . 20.6 p-10 -108.03 -3.71 18.48 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 114.349 1.24 . . . . 52.29 114.349 -168.728 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 60.24 45.84 10.98 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.123 0.874 . . . . 70.66 111.906 176.497 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 65.9 mtt85 -113.06 156.89 22.31 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 121.11 0.481 . . . . 56.05 109.839 175.27 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -93.67 136.72 33.66 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.127 -0.942 . . . . 70.54 109.687 173.439 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' VAL . . . . . . . . . . . . . 31.0 m -146.13 150.32 15.42 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 N-CA-C 109.171 -0.677 . . . . 55.5 109.171 -175.498 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? -91.71 99.21 12.15 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 107.762 -1.199 . . . . 75.91 107.762 170.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -91.43 133.46 35.45 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 108.714 -0.847 . . . . 57.09 108.714 -176.865 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 38.9 tp -134.85 128.51 32.82 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 108.754 -0.832 . . . . 58.27 108.754 176.46 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 42.0 t -116.33 134.52 59.47 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 N-CA-C 108.742 -0.836 . . . . 59.96 108.742 -172.053 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 26.1 p -139.89 158.93 43.28 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 123.545 0.738 . . . . 61.31 110.1 -172.88 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -88.08 136.35 33.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.727 -0.67 . . . . 73.69 110.238 169.667 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -133.08 100.77 4.98 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 105.178 -2.156 . . . . 98.06 105.178 164.665 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 64.32 -123.74 28.25 Favored Glycine 0 C--N 1.333 0.381 0 N-CA-C 109.805 -1.318 . . . . 69.45 109.805 -165.2 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' ASP . . . . . . . . . . . . . 26.6 p30 -105.76 21.25 17.58 Favored 'General case' 0 C--O 1.237 0.401 0 O-C-N 122.004 -0.703 . . . . 82.08 112.067 171.967 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 63.5 t -104.26 117.53 49.98 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 N-CA-C 108.848 -0.797 . . . . 67.24 108.848 -178.544 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 26.5 mt -72.98 121.35 19.96 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 109.934 -0.395 . . . . 67.55 109.934 171.559 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 3.3 t -119.2 119.06 59.62 Favored 'Isoleucine or valine' 0 C--O 1.242 0.707 0 N-CA-C 108.047 -1.094 . . . . 62.99 108.047 -179.185 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' CYS . . . . . . . . . . . . . 41.2 t -109.37 138.93 45.0 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 108.179 -1.045 . . . . 52.75 108.179 175.96 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 2.3 t -116.71 125.64 73.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 106.722 -1.585 . . . . 57.6 106.722 170.192 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -101.81 85.93 2.81 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 107.131 -1.433 . . . . 57.15 107.131 178.229 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 27.2 tttm -63.15 136.79 57.97 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.186 -0.915 . . . . 65.99 110.07 178.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . 163.75 -149.1 16.01 Favored Glycine 0 CA--C 1.523 0.555 0 C-N-CA 118.567 -1.778 . . . . 63.12 111.595 178.762 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . . . -67.24 -30.32 70.19 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-N 114.162 -1.019 . . . . 61.96 112.698 -168.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -99.88 131.43 45.86 Favored 'General case' 0 C--O 1.238 0.468 0 N-CA-C 108.696 -0.853 . . . . 61.14 108.696 -178.656 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -82.06 147.68 28.99 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 120.146 -0.622 . . . . 81.62 110.617 -175.182 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 61.38 46.24 7.85 Favored 'General case' 0 N--CA 1.461 0.112 0 CA-C-N 115.011 -0.995 . . . . 79.85 111.003 174.802 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 46.2 ttt180 -109.05 120.64 43.15 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.723 -0.671 . . . . 60.42 109.722 -173.476 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . -179.53 -162.96 29.54 Favored Glycine 0 C--N 1.33 0.204 0 C-N-CA 119.99 -1.1 . . . . 58.16 112.403 178.5 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' TRP . . . . . . . . . . . . . 47.9 p-90 -164.72 145.04 7.54 Favored 'General case' 0 C--O 1.223 -0.315 0 C-N-CA 118.698 -1.201 . . . . 50.4 110.219 -178.443 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -116.85 151.5 36.43 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 123.386 0.674 . . . . 68.89 110.911 173.273 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -146.24 135.53 22.84 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.577 -0.738 . . . . 61.17 109.104 -170.23 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' TRP . . . . . . . . . . . . . 21.8 p90 -165.14 154.52 12.75 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 118.372 -1.331 . . . . 67.87 111.455 -179.556 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 39.5 mt -102.1 132.63 47.69 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 CA-C-N 115.35 -0.841 . . . . 66.52 109.466 -174.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -133.47 119.15 19.21 Favored 'General case' 0 C--O 1.242 0.703 0 N-CA-C 106.886 -1.524 . . . . 75.76 106.886 177.888 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . 58.74 -115.3 7.01 Favored Glycine 0 N--CA 1.449 -0.457 0 N-CA-C 108.842 -1.703 . . . . 80.84 108.842 -169.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 37.3 p-10 -110.64 5.9 21.34 Favored 'General case' 0 C--O 1.239 0.509 0 N-CA-C 112.584 0.587 . . . . 90.96 112.584 -179.739 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' LYS . . . . . . . . . . . . . 18.9 mtmm -107.53 147.4 30.59 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-O 121.414 0.626 . . . . 80.95 111.331 -174.184 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 6.1 tt -100.45 138.61 37.28 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.501 -0.772 . . . . 62.66 110.287 174.072 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -120.82 129.91 53.75 Favored 'General case' 0 C--O 1.239 0.538 0 N-CA-C 108.243 -1.021 . . . . 72.1 108.243 -173.072 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 8.5 tp -130.58 128.73 41.66 Favored 'General case' 0 CA--C 1.521 -0.167 0 N-CA-C 109.516 -0.55 . . . . 58.96 109.516 -176.662 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -119.16 118.11 30.48 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 107.487 -1.301 . . . . 89.23 107.487 171.544 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 2.4 mt -104.16 125.38 50.43 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 107.294 -1.372 . . . . 60.45 107.294 176.502 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 120' ' ' THR . . . . . . . . . . . . . 22.2 m -122.97 140.17 53.3 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-O 121.256 0.551 . . . . 55.89 110.682 -175.261 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 43.3 t -148.23 112.52 5.25 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 106.937 -1.505 . . . . 61.11 106.937 170.983 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 57.63 -134.74 52.24 Favored Glycine 0 C--O 1.237 0.318 0 C-N-CA 119.944 -1.122 . . . . 64.3 111.362 179.89 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.2 -19.18 43.14 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 113.15 0.796 . . . . 94.93 113.15 178.126 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 124' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 -103.05 140.58 37.11 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 113.584 0.957 . . . . 67.69 113.584 -158.406 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 96.7 t -133.22 118.94 33.91 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 CA-C-N 115.467 -0.788 . . . . 64.43 110.023 -179.03 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 126' ' ' CYS . . . . . . . . . . . . . 44.4 t -100.1 131.71 45.9 Favored 'General case' 0 C--O 1.241 0.618 0 N-CA-C 108.786 -0.82 . . . . 53.81 108.786 171.045 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . . . -120.06 119.0 32.09 Favored 'General case' 0 C--O 1.243 0.722 0 N-CA-C 107.855 -1.165 . . . . 54.45 107.855 -176.653 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -122.76 150.31 42.95 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 123.638 0.775 . . . . 61.33 109.969 -178.437 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 129' ' ' VAL . . . . . . . . . . . . . 3.0 t -132.67 140.14 48.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 C-N-CA 122.807 0.443 . . . . 62.04 110.162 177.836 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 130' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -122.47 153.3 39.32 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 124.944 1.297 . . . . 59.93 110.818 -175.905 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 131' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 9' ' ' GLU . 0.5 OUTLIER -111.97 142.76 43.98 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 125.209 1.403 . . . . 80.69 109.146 168.575 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -75.27 144.61 42.43 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 109.699 -0.482 . . . . 80.93 109.699 176.09 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.506 2.359 0 CA-C-O 122.885 1.326 . . . . 99.39 110.511 -169.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 1' ' ' THR . . . . . . . . . . . . . 83.5 m . . . . . 0 CA--C 1.532 0.259 0 N-CA-C 110.256 -0.276 . . . . 99.63 110.256 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 2' ' ' ARG . . . . . 0.401 ' NH2' ' O ' ' A' ' 90' ' ' GLY . 2.3 mtt180 -107.13 4.57 26.98 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 113.023 0.749 . . . . 80.42 113.023 -175.789 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -114.33 126.73 55.34 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 118.878 0.763 . . . . 94.25 110.48 -175.173 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -115.22 13.35 16.72 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 123.734 0.814 . . . . 72.53 112.86 -172.906 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -64.03 137.87 58.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 118.853 0.751 . . . . 87.8 110.718 -172.684 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' GLY . . . . . . . . . . . . . . . 138.89 171.09 12.03 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 119.412 -1.375 . . . . 63.98 113.821 174.011 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 12.8 p -98.15 124.72 42.84 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 107.093 -1.447 . . . . 71.07 107.093 172.566 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' TRP . . . . . . . . . . . . . 72.2 m95 -116.55 127.14 54.25 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.464 -1.31 . . . . 68.64 107.464 -172.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -114.63 127.72 55.93 Favored 'General case' 0 C--O 1.241 0.617 0 N-CA-C 109.905 -0.406 . . . . 81.67 109.905 -175.009 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' MET . . . . . . . . . . . . . 40.9 ttm -60.77 151.55 29.28 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 121.856 0.836 . . . . 55.51 111.183 -171.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -134.35 -35.58 0.91 Allowed 'General case' 0 C--O 1.24 0.56 0 CA-C-N 115.126 -0.943 . . . . 76.34 109.909 -173.312 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 31.5 p -142.0 155.27 45.43 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 109.199 -0.667 . . . . 54.85 109.199 178.482 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -161.37 88.71 0.74 Allowed 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 108.339 -0.986 . . . . 53.31 108.339 -173.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -94.37 151.52 19.34 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.362 0.601 . . . . 76.01 110.75 -175.428 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 64.5 t30 46.39 36.07 3.2 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.085 0.954 . . . . 51.41 112.6 178.524 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -67.34 -42.62 83.27 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 117.482 -1.687 . . . . 59.22 110.858 178.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.31 -31.71 72.67 Favored 'General case' 0 C--N 1.346 0.443 0 C-N-CA 119.522 -0.871 . . . . 80.87 111.122 -179.434 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . -66.11 -47.44 72.99 Favored Glycine 0 C--N 1.34 0.764 0 C-N-CA 119.938 -1.125 . . . . 54.88 112.276 177.022 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -54.88 -40.55 69.84 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 122.232 -0.569 . . . . 76.04 111.015 173.096 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 42.4 mtm -74.32 -27.21 60.6 Favored 'General case' 0 C--O 1.243 0.749 0 C-N-CA 118.934 -1.106 . . . . 63.67 111.721 -178.464 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 53.1 mttt -69.44 -44.36 71.43 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.53 -0.468 . . . . 66.15 110.755 174.546 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.34 -32.31 64.57 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 112.04 0.385 . . . . 60.18 112.04 175.127 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 47.7 mt -85.36 0.15 53.0 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 112.891 0.7 . . . . 60.89 112.891 -178.853 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 64.86 30.46 12.11 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.283 1.033 . . . . 74.3 112.415 178.773 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 39.4 mt -65.5 132.12 31.22 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 N-CA-C 108.953 -0.758 . . . . 66.83 108.953 176.768 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 26' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -61.23 153.63 25.7 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 121.403 0.62 . . . . 57.65 110.102 -179.033 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -57.3 -41.92 80.79 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 115.485 -0.78 . . . . 70.33 112.304 -168.298 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.47 -42.17 83.42 Favored 'General case' 0 C--O 1.243 0.755 0 C-N-CA 118.601 -1.24 . . . . 45.97 110.441 -174.212 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 24.9 m -61.14 -39.34 89.7 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 119.982 -0.687 . . . . 47.12 110.911 177.571 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 30' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -59.67 -46.47 88.96 Favored 'General case' 0 C--O 1.242 0.705 0 C-N-CA 119.466 -0.894 . . . . 58.46 110.069 176.327 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -66.79 -20.28 65.91 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.563 -0.455 . . . . 70.69 111.899 -177.176 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 36.9 mt -79.41 -56.43 7.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 CA-C-O 121.422 0.63 . . . . 48.44 111.031 171.779 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.84 -43.17 85.7 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 116.163 -0.471 . . . . 50.3 111.931 -174.156 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 34' ' ' VAL . . . . . . . . . . . . . 5.5 p -61.79 -11.27 5.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 117.809 -1.556 . . . . 60.4 112.427 -176.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 35' ' ' ARG . . . . . 0.592 ' NH2' ' O ' ' C' ' 76' ' ' SER . 2.9 mtt-85 -96.19 13.62 26.77 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 113.57 0.952 . . . . 71.92 113.57 -179.501 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 20.6 mt -115.69 149.11 38.93 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 118.445 0.566 . . . . 50.77 110.884 -169.401 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 14.8 t -114.31 147.99 38.24 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 125.129 1.372 . . . . 51.5 108.251 164.401 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 38' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -122.29 145.09 48.57 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-O 121.029 0.443 . . . . 53.88 110.269 -169.086 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 99.4 m -125.37 130.59 52.22 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.373 -0.973 . . . . 62.76 108.373 167.231 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -109.82 118.45 36.52 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.837 -1.171 . . . . 72.89 107.837 -179.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 41' ' ' VAL . . . . . . . . . . . . . 2.7 m -96.35 122.31 47.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 N-CA-C 106.101 -1.814 . . . . 68.73 106.101 171.101 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 35.9 mt -118.04 131.36 71.02 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 N-CA-C 107.563 -1.273 . . . . 69.18 107.563 -176.173 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 43' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -122.71 130.63 53.16 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 124.158 0.983 . . . . 93.87 109.359 172.843 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 44' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -126.49 -106.64 0.32 Allowed 'General case' 0 C--O 1.236 0.35 0 N-CA-C 115.498 1.666 . . . . 83.33 115.498 -168.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 6.0 t70 57.55 110.12 0.01 OUTLIER 'General case' 0 C--O 1.238 0.456 0 C-N-CA 124.06 0.944 . . . . 100.74 111.137 -165.428 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.61 -157.19 32.5 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-O 122.494 1.052 . . . . 83.58 111.823 -178.787 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -93.23 15.33 15.71 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 114.503 -0.848 . . . . 79.92 112.594 173.3 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -108.01 112.64 25.31 Favored 'General case' 0 C--O 1.24 0.574 0 N-CA-C 108.786 -0.82 . . . . 80.89 108.786 -177.856 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 49' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -110.07 140.5 44.06 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 124.853 1.261 . . . . 71.34 110.45 -173.521 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 5.3 tttm -130.72 116.03 17.47 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 107.914 -1.143 . . . . 76.07 107.914 170.091 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 51' ' ' THR . . . . . 0.508 ' OG1' ' O ' ' A' ' 62' ' ' VAL . 71.4 p -117.97 128.57 54.93 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 109.19 -0.67 . . . . 78.99 109.19 -176.172 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 52' ' ' LYS . . . . . . . . . . . . . . . -114.26 115.73 27.89 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 106.616 -1.624 . . . . 65.19 106.616 168.44 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -98.47 124.74 43.36 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 108.416 -0.957 . . . . 63.9 108.416 174.906 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 2.6 p -121.49 150.13 42.04 Favored 'General case' 0 CA--C 1.519 -0.212 0 C-N-CA 124.925 1.29 . . . . 62.82 109.209 178.445 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 3.7 p -125.73 148.92 48.91 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.885 -0.783 . . . . 51.84 108.885 -177.371 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 71.9 p -139.81 167.54 21.87 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 122.045 0.926 . . . . 51.09 108.92 165.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 57' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -73.65 135.14 43.75 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 119.525 -0.87 . . . . 50.37 110.125 -179.509 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 44.7 tp -68.62 136.15 52.56 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.35 -0.841 . . . . 55.95 109.185 -175.119 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -64.31 165.17 9.97 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 122.474 1.13 . . . . 63.05 111.205 168.327 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 60' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -140.79 113.38 8.13 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 105.678 -1.971 . . . . 77.78 105.678 -176.528 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 61' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -100.69 132.71 45.95 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-O 120.593 0.235 . . . . 87.43 111.085 -170.673 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 19.7 t -132.43 121.63 46.02 Favored 'Isoleucine or valine' 0 C--O 1.241 0.621 0 N-CA-C 108.301 -1.0 . . . . 67.55 108.301 169.053 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -123.43 139.77 53.68 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 125.328 1.451 . . . . 72.31 108.739 -178.269 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 64' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -160.28 172.46 17.33 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 118.784 -1.166 . . . . 67.19 109.673 -177.201 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 73.6 m -123.55 142.09 51.36 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 114.97 -1.014 . . . . 68.66 108.853 162.511 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 66' ' ' VAL . . . . . . . . . . . . . 59.9 t -62.32 108.94 0.58 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.415 0 N-CA-C 108.731 -0.84 . . . . 71.51 108.731 -176.055 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 122.96 -26.09 6.25 Favored Glycine 0 C--N 1.335 0.514 0 CA-C-O 119.542 -0.588 . . . . 69.62 114.404 176.737 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 68' ' ' VAL . . . . . . . . . . . . . 29.6 m -92.52 117.52 36.06 Favored 'Isoleucine or valine' 0 C--O 1.24 0.605 0 CA-C-N 117.882 0.841 . . . . 69.21 110.149 -172.658 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -59.39 146.04 41.36 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 116.042 -0.526 . . . . 73.56 109.795 177.627 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 70' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -154.85 144.19 21.21 Favored 'General case' 0 CA--C 1.515 -0.377 0 C-N-CA 119.524 -0.87 . . . . 70.52 109.547 177.263 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -78.7 136.66 37.49 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 119.625 -0.83 . . . . 79.08 110.497 177.207 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 72' ' ' GLU . . . . . 0.71 ' OE2' ' O ' ' C' ' 301' ' ' HOH . 3.6 tt0 -114.16 133.97 55.22 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 125.5 1.52 . . . . 76.93 107.265 177.299 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 73' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -108.12 93.35 4.48 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 106.229 -1.767 . . . . 57.84 106.229 168.098 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 74' ' ' THR . . . . . 0.491 ' O ' ' N ' ' C' ' 79' ' ' ASN . 8.5 t -63.11 89.08 0.03 OUTLIER 'General case' 0 C--O 1.251 1.147 0 N-CA-C 107.895 -1.15 . . . . 75.56 107.895 -174.682 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 75' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -85.92 -42.92 13.65 Favored 'General case' 0 CA--C 1.508 -0.661 0 C-N-CA 127.802 2.441 . . . . 85.01 110.952 -171.577 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 76' ' ' SER . . . . . 0.592 ' O ' ' NH2' ' C' ' 35' ' ' ARG . 1.2 t -71.04 -12.76 61.7 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 125.215 1.406 . . . . 78.32 112.225 -178.875 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 22.2 mt -126.01 -102.49 0.36 Allowed 'General case' 0 C--O 1.234 0.271 0 C-N-CA 123.38 0.672 . . . . 52.85 112.397 -173.496 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 78' ' ' ASP . . . . . 0.457 ' OD2' ' NH1' ' C' ' 80' ' ' ARG . 15.7 p-10 -103.53 13.02 34.31 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 114.367 1.247 . . . . 48.78 114.367 -170.787 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 79' ' ' ASN . . . . . 0.491 ' N ' ' O ' ' C' ' 74' ' ' THR . 87.4 m-20 59.03 55.76 4.29 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 118.888 0.767 . . . . 58.58 111.149 172.329 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 80' ' ' ARG . . . . . 0.457 ' NH1' ' OD2' ' C' ' 78' ' ' ASP . 40.9 mtt85 -131.86 153.43 50.21 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 118.877 -1.129 . . . . 54.07 109.777 -172.094 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 81' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -90.32 129.74 36.51 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 109.13 -0.693 . . . . 62.15 109.13 175.307 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 35.4 m -137.54 154.81 30.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 105.903 -1.888 . . . . 53.2 105.903 174.47 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 5.8 mmtt -107.44 109.62 21.37 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 107.528 -1.286 . . . . 80.64 107.528 172.299 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 84' ' ' ALA . . . . . . . . . . . . . . . -99.52 145.81 27.08 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.572 0.749 . . . . 69.18 111.445 -172.028 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 85' ' ' LEU . . . . . . . . . . . . . 11.6 tp -137.98 135.96 36.48 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 114.87 -1.059 . . . . 70.68 108.446 173.232 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 86' ' ' VAL . . . . . . . . . . . . . 13.0 t -119.3 128.18 75.84 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 N-CA-C 108.138 -1.06 . . . . 68.28 108.138 -179.621 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 18.6 p -126.62 157.68 38.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.389 0.614 . . . . 69.44 109.572 179.278 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 88' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -81.93 144.37 30.99 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 119.449 -0.9 . . . . 77.55 108.655 166.468 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -138.98 105.99 5.44 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 104.828 -2.286 . . . . 83.83 104.828 165.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 90' ' ' GLY . . . . . . . . . . . . . . . 61.39 -114.44 6.7 Favored Glycine 0 C--O 1.237 0.284 0 N-CA-C 109.118 -1.593 . . . . 85.37 109.118 -168.314 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 91' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -110.17 19.72 18.63 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 123.513 0.725 . . . . 93.91 112.082 177.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 92' ' ' VAL . . . . . . . . . . . . . 3.9 t -120.2 123.28 70.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 N-CA-C 108.565 -0.902 . . . . 73.28 108.565 -164.834 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 93' ' ' LEU . . . . . . . . . . . . . 17.3 mt -77.63 125.65 29.66 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 109.765 -0.457 . . . . 75.57 109.765 174.546 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 94' ' ' VAL . . . . . . . . . . . . . 53.5 t -123.74 104.9 14.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 105.743 -1.947 . . . . 76.15 105.743 -172.111 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 95' ' ' CYS . . . . . . . . . . . . . 38.2 t -104.7 136.86 43.43 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.895 -1.15 . . . . 66.32 107.895 177.802 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 11.4 t -114.65 145.42 20.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 107.269 -1.382 . . . . 69.0 107.269 167.935 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 97' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -122.71 86.17 2.54 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 107.443 -1.317 . . . . 62.41 107.443 -176.502 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 98' ' ' LYS . . . . . . . . . . . . . . . -61.8 139.98 58.29 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 116.241 -0.436 . . . . 64.38 110.335 177.644 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . 160.46 -156.23 27.49 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.363 -0.695 . . . . 66.58 111.363 -177.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 100' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -73.52 -14.4 61.21 Favored 'General case' 0 C--O 1.239 0.517 0 N-CA-C 113.243 0.831 . . . . 80.81 113.243 -168.826 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 101' ' ' LYS . . . . . 0.472 ' NZ ' ' OD2' ' B' ' 24' ' ' ASP . 10.4 tptt -109.88 117.04 32.78 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.452 -0.944 . . . . 61.07 108.452 -173.96 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 102' ' ' GLU . . . . . . . . . . . . . . . -59.33 139.9 56.58 Favored 'General case' 0 N--CA 1.455 -0.207 0 O-C-N 123.749 0.656 . . . . 61.05 110.591 -179.621 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 103' ' ' ASN . . . . . . . . . . . . . 35.8 t30 61.78 44.07 8.99 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.685 -0.689 . . . . 71.19 111.435 169.732 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 104' ' ' ARG . . . . . 0.4 ' NH2' ' OD2' ' C' ' 78' ' ' ASP . 4.4 ttm-85 -102.51 130.48 49.34 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 108.83 -0.804 . . . . 66.98 108.83 179.096 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 105' ' ' GLY . . . . . . . . . . . . . . . 173.89 -175.53 46.45 Favored Glycine 0 C--O 1.229 -0.167 0 N-CA-C 109.946 -1.262 . . . . 52.23 109.946 179.446 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 106' ' ' TRP . . . . . . . . . . . . . 36.9 p-90 -151.36 164.13 37.39 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 118.37 -1.332 . . . . 63.22 110.585 177.431 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 107' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -135.12 138.61 43.93 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 114.833 -1.076 . . . . 66.79 108.226 -176.075 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 108' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -146.58 130.88 17.52 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.205 -0.665 . . . . 61.03 109.205 -169.197 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 109' ' ' TRP . . . . . . . . . . . . . 21.6 p90 -162.21 162.73 28.41 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 120.242 -0.583 . . . . 70.7 109.726 -179.763 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 110' ' ' ILE . . . . . . . . . . . . . 82.4 mt -104.97 143.52 16.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 108.599 -0.889 . . . . 71.19 108.599 176.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . . . -121.34 89.07 3.05 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 105.105 -2.183 . . . . 81.76 105.105 171.358 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . 45.17 -94.58 0.01 OUTLIER Glycine 0 C--N 1.338 0.691 0 CA-C-N 114.883 -1.053 . . . . 86.91 111.991 -175.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 113' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -57.43 -47.1 82.67 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.646 -0.277 . . . . 83.67 111.42 -176.261 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 114' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -124.99 157.74 35.39 Favored 'General case' 0 CA--C 1.521 -0.169 0 C-N-CA 118.836 -1.146 . . . . 76.98 112.101 -155.766 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 115' ' ' LEU . . . . . . . . . . . . . 20.9 tp -99.22 140.67 33.04 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 114.908 -1.042 . . . . 69.09 109.722 177.198 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -125.05 128.53 48.65 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 107.898 -1.149 . . . . 67.12 107.898 -172.215 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 117' ' ' LEU . . . . . . . . . . . . . 29.7 tp -126.39 136.55 52.84 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 108.463 -0.939 . . . . 60.61 108.463 178.309 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -138.89 109.44 6.58 Favored 'General case' 0 C--O 1.238 0.483 0 N-CA-C 107.382 -1.34 . . . . 68.59 107.382 179.566 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 119' ' ' LEU . . . . . . . . . . . . . 3.0 mt -97.34 135.21 39.56 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.698 -0.482 . . . . 56.59 109.698 176.312 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 120' ' ' THR . . . . . . . . . . . . . 19.3 m -122.13 133.03 54.76 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 109.108 -0.701 . . . . 54.24 109.108 -178.327 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 9.5 t -134.91 129.72 34.78 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 108.209 -1.034 . . . . 55.82 108.209 165.005 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 122' ' ' GLY . . . . . . . . . . . . . . . 51.23 -135.8 31.39 Favored Glycine 0 C--N 1.332 0.348 0 C-N-CA 118.74 -1.695 . . . . 56.38 110.159 -171.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 123' ' ' ASP . . . . . . . . . . . . . 52.1 p-10 -89.98 5.18 47.65 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 112.958 0.725 . . . . 72.27 112.958 176.264 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 124' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -92.56 138.15 31.75 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 123.713 0.805 . . . . 63.3 111.241 -177.776 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 2.3 t -126.76 142.55 42.95 Favored 'Isoleucine or valine' 0 C--O 1.237 0.395 0 CA-C-N 116.102 -0.499 . . . . 64.25 109.772 179.456 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 126' ' ' CYS . . . . . . . . . . . . . 6.2 t -117.97 132.59 56.38 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 108.472 -0.936 . . . . 55.55 108.472 171.229 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 127' ' ' ARG . . . . . . . . . . . . . 3.6 mtm105 -124.34 120.98 33.71 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 109.922 -0.399 . . . . 67.24 109.922 -169.61 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 128' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -126.72 154.68 43.82 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 123.87 0.868 . . . . 56.85 110.979 -175.718 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 129' ' ' VAL . . . . . . . . . . . . . 19.6 t -142.54 130.38 20.1 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 N-CA-C 108.327 -0.99 . . . . 53.62 108.327 -172.974 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 130' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -126.26 137.14 53.49 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.884 -0.413 . . . . 62.01 109.884 -177.332 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 131' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -94.85 139.51 31.19 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 122.78 0.432 . . . . 82.64 110.158 170.38 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -76.54 140.86 41.29 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 109.452 -0.573 . . . . 66.17 109.452 177.935 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 133' ' ' LYS . . . . . . . . . . . . . 21.1 tttm . . . . . 0 CA--C 1.531 0.224 0 CA-C-N 115.561 -0.745 . . . . 76.22 110.806 -177.399 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' GOL . . . . . 0.6 ' O1 ' ' SD ' ' B' ' 10' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 202' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 203' ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 301' ' ' HOH . . . . . 0.71 ' O ' ' OE2' ' C' ' 72' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' THR . . . . . 0.493 HG22 ' H ' ' A' ' 3' ' ' ASP . 2.7 m . . . . . 0 C--O 1.235 0.304 0 CA-C-O 120.906 0.384 . . . . 96.8 111.756 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -113.83 39.39 2.7 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.693 -0.685 . . . . 78.68 111.301 176.147 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ASP . . . . . 0.493 ' H ' HG22 ' A' ' 1' ' ' THR . 40.3 t0 -117.69 112.76 20.92 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 108.44 -0.948 . . . . 80.53 108.44 176.064 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -107.18 8.03 29.83 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.702 0.631 . . . . 71.64 112.702 -176.364 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -61.38 141.37 57.67 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 119.663 -0.815 . . . . 73.95 110.631 -173.196 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 135.74 -170.59 23.04 Favored Glycine 0 N--CA 1.442 -0.951 0 CA-C-O 122.531 1.073 . . . . 72.77 112.618 168.862 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.8 m -113.36 123.2 49.55 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 107.511 -1.292 . . . . 67.67 107.511 -177.311 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' TRP . . . . . 0.495 ' HB3' ' HB3' ' B' ' 130' ' ' PHE . 76.8 m95 -122.92 116.18 23.18 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 109.137 -0.69 . . . . 70.72 109.137 -168.389 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLU . . . . . 0.549 ' OE2' ' HE2' ' B' ' 131' ' ' LYS . 45.6 mt-10 -96.1 118.97 33.75 Favored 'General case' 0 C--N 1.345 0.392 0 O-C-N 124.076 0.86 . . . . 87.47 110.166 -175.856 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 37.2 ttm -55.09 146.62 17.88 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 121.546 0.689 . . . . 56.66 110.607 176.156 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -138.62 -7.06 1.48 Allowed 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 125.603 1.561 . . . . 82.51 112.843 174.257 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t -155.07 144.6 21.29 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 119.55 1.068 . . . . 61.16 109.058 179.44 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -156.48 92.18 1.29 Allowed 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 107.86 -1.163 . . . . 62.62 107.86 -174.792 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . . . -93.75 136.59 33.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.0 -0.545 . . . . 49.81 111.138 175.146 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 45.1 t30 56.0 39.3 30.52 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 124.797 1.239 . . . . 60.29 113.315 174.349 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -59.58 -37.79 79.44 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 119.158 -1.017 . . . . 60.49 110.351 169.416 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLU . . . . . 0.649 ' OE1' ' NH1' ' A' ' 30' ' ' ARG . 40.9 tt0 -79.12 -35.18 42.63 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 118.353 -1.339 . . . . 78.5 112.196 -171.282 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -55.3 -44.2 84.53 Favored Glycine 0 C--O 1.243 0.664 0 C-N-CA 119.314 -1.422 . . . . 54.81 112.114 168.781 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -62.36 -38.34 89.16 Favored 'General case' 0 C--O 1.236 0.353 0 O-C-N 122.28 -0.541 . . . . 61.12 110.955 178.314 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' MET . . . . . 0.47 ' HG2' HD12 ' A' ' 25' ' ' ILE . 5.2 mtm -74.76 -40.76 61.02 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 119.187 -1.005 . . . . 56.19 111.949 -178.259 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.2 mtpt -60.24 -40.03 88.8 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.311 -0.556 . . . . 65.48 110.662 176.24 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.55 -26.86 68.89 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 119.933 -0.707 . . . . 56.13 112.419 179.402 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.9 mt -82.32 1.12 38.47 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 113.343 0.868 . . . . 56.16 113.343 172.146 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 64.41 36.76 8.72 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.206 1.002 . . . . 65.26 111.673 179.146 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ILE . . . . . 0.47 HD12 ' HG2' ' A' ' 20' ' ' MET . 31.1 mt -79.65 138.65 19.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.267 -0.642 . . . . 55.21 109.267 -178.221 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.21 160.81 14.82 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 118.965 -1.094 . . . . 69.47 110.995 -170.452 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -57.85 -45.34 86.39 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-N 115.174 -0.921 . . . . 57.6 111.411 -174.843 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.94 -44.07 86.16 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 119.976 -0.69 . . . . 48.56 111.228 -172.042 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.8 m -60.37 -42.15 95.22 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 119.758 -0.777 . . . . 56.04 110.52 174.429 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ARG . . . . . 0.649 ' NH1' ' OE1' ' A' ' 17' ' ' GLU . 61.9 mtm-85 -55.82 -30.18 60.98 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 119.758 -0.777 . . . . 52.57 111.651 176.968 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.6 mmtt -86.56 -24.91 25.28 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 119.786 -0.765 . . . . 56.51 111.531 178.109 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 89.5 mt -69.04 -72.45 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.561 0 N-CA-C 106.621 -1.622 . . . . 53.86 106.621 176.763 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ALA . . . . . 0.666 ' O ' ' HB ' ' A' ' 34' ' ' VAL . . . -67.38 127.26 32.02 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 109.361 -0.607 . . . . 66.12 109.361 171.277 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' VAL . . . . . 0.666 ' HB ' ' O ' ' A' ' 33' ' ' ALA . 1.6 p 130.6 -28.97 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 N-CA-C 105.669 -1.974 . . . . 53.18 105.669 -165.033 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.2 mtp85 -97.18 4.67 51.02 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.315 -0.554 . . . . 62.55 112.448 168.265 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.0 mt -105.03 144.01 32.43 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 118.586 0.63 . . . . 48.33 110.888 -168.39 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.8 m -101.68 155.2 18.26 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 107.005 -1.48 . . . . 58.47 107.005 163.431 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -133.12 129.65 38.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.811 -0.631 . . . . 56.79 109.627 -169.0 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.7 m -121.88 118.18 28.29 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 108.393 -0.965 . . . . 64.62 108.393 171.214 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -97.09 130.1 44.42 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 122.962 0.505 . . . . 73.13 110.468 -177.679 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 51' ' ' THR . 2.3 t -100.51 125.2 54.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 N-CA-C 108.213 -1.032 . . . . 63.25 108.213 173.878 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ILE . . . . . 0.843 HG12 HG22 ' A' ' 51' ' ' THR . 69.7 mt -126.65 119.21 52.96 Favored 'Isoleucine or valine' 0 C--O 1.241 0.616 0 N-CA-C 109.114 -0.699 . . . . 66.58 109.114 -177.826 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -108.55 107.93 18.63 Favored 'General case' 0 C--O 1.241 0.628 0 N-CA-C 107.646 -1.242 . . . . 80.62 107.646 172.176 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLN . . . . . 0.432 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 28.1 tt0 -114.88 130.97 57.0 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.251 -0.431 . . . . 74.86 110.779 -178.851 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.94 103.88 9.14 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.232 -1.396 . . . . 86.75 107.232 170.346 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 55.78 -105.04 0.38 Allowed Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.7 -0.762 . . . . 67.62 111.779 -172.182 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -109.2 -0.91 19.04 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 112.749 0.648 . . . . 70.34 112.749 -179.08 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -86.0 131.11 34.35 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.883 -0.784 . . . . 74.32 108.883 174.174 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' PHE . . . . . 0.432 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 22.6 m-85 -128.22 137.9 52.22 Favored 'General case' 0 CA--C 1.518 -0.286 0 C-N-CA 122.846 0.458 . . . . 59.78 111.074 -174.409 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.2 mttm -129.44 126.27 38.36 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 108.926 -0.768 . . . . 71.04 108.926 165.11 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' THR . . . . . 0.843 HG22 HG12 ' A' ' 42' ' ' ILE . 36.3 p -120.7 134.7 55.27 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.508 -0.923 . . . . 71.0 108.508 -179.698 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -111.29 -31.41 7.07 Favored 'General case' 0 C--O 1.226 -0.17 0 N-CA-C 115.851 1.797 . . . . 88.17 115.851 -175.236 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 54.68 117.48 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 116.634 2.087 . . . . 70.53 116.634 166.119 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' THR . . . . . 0.488 HG22 ' CG ' ' B' ' 59' ' ' ASN . 40.4 p -133.13 154.59 50.45 Favored 'General case' 0 N--CA 1.451 -0.395 0 O-C-N 121.438 -0.788 . . . . 64.75 109.116 -178.51 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.7 m -125.87 144.21 50.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.988 -0.551 . . . . 63.31 110.503 -176.621 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.9 t -138.57 157.8 45.47 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 107.644 -1.243 . . . . 66.19 107.644 -179.745 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -74.54 132.98 42.29 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 119.245 -0.982 . . . . 62.05 109.734 179.725 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . . . -71.69 143.21 49.76 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.521 0.677 . . . . 73.66 111.881 -169.152 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -80.25 161.22 25.27 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-O 122.4 1.095 . . . . 59.11 110.657 -179.74 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -139.45 119.05 13.06 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.146 -1.427 . . . . 62.77 107.146 -172.364 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -107.97 131.98 53.98 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 123.159 0.583 . . . . 73.06 109.846 -174.731 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 5.0 t -128.67 120.56 52.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.496 0 N-CA-C 106.569 -1.641 . . . . 74.26 106.569 169.975 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -125.62 136.78 53.63 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.699 -0.852 . . . . 94.54 108.699 172.498 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -152.81 172.02 17.37 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 108.918 -0.771 . . . . 74.47 108.918 -177.202 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' THR . . . . . 0.438 ' HA ' ' O ' ' C' ' 47' ' ' ASP . 4.0 p -129.02 137.72 51.49 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 108.409 -0.96 . . . . 80.88 108.409 171.9 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 66' ' ' VAL . . . . . 0.433 HG11 ' CD1' ' A' ' 88' ' ' TRP . 60.6 t -68.2 142.38 16.43 Favored 'Isoleucine or valine' 0 C--O 1.238 0.497 0 CA-C-O 121.644 0.735 . . . . 66.45 110.725 -167.177 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 77.02 1.77 75.02 Favored Glycine 0 N--CA 1.44 -1.073 0 N-CA-C 115.181 0.832 . . . . 73.5 115.181 178.807 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.4 t -119.72 128.37 75.9 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-N 118.714 1.257 . . . . 61.97 107.783 172.881 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . . . -53.39 160.72 1.11 Allowed 'General case' 0 C--O 1.234 0.24 0 O-C-N 123.591 0.557 . . . . 74.67 110.695 175.195 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -161.41 164.94 29.55 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.004 -1.11 . . . . 71.8 108.004 169.329 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -96.25 107.98 20.41 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.738 -0.664 . . . . 74.3 109.977 -174.975 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -89.24 132.51 34.85 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 105.516 -2.031 . . . . 73.41 105.516 169.161 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' TYR . . . . . 0.425 ' CD1' ' HG3' ' A' ' 75' ' ' LYS . 64.6 t80 -113.03 112.29 23.62 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 104.952 -2.24 . . . . 86.29 104.952 164.255 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 74' ' ' THR . . . . . 0.45 HG21 ' NH2' ' A' ' 104' ' ' ARG . 81.4 p -83.5 65.96 8.67 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 123.076 1.417 . . . . 61.81 109.723 -163.558 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 75' ' ' LYS . . . . . 0.425 ' HG3' ' CD1' ' A' ' 73' ' ' TYR . 35.8 mtmt -64.59 173.15 2.28 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 118.298 -1.361 . . . . 79.63 108.53 161.265 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 52.6 p 61.71 -4.01 0.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.265 -0.879 . . . . 64.06 112.608 -170.038 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' LEU . . . . . 0.419 ' HA ' HD23 ' A' ' 77' ' ' LEU . 22.3 mt -136.56 -98.95 0.21 Allowed 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 118.521 0.6 . . . . 56.18 110.869 174.605 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -106.46 -2.74 21.7 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 113.085 0.772 . . . . 56.78 113.085 -169.317 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.8 m-20 61.98 41.08 11.62 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 118.41 0.55 . . . . 71.09 111.616 176.349 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 58.4 mtt85 -109.85 156.88 19.81 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 120.054 -0.659 . . . . 59.91 110.285 179.089 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -88.71 129.42 35.54 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 115.237 -0.892 . . . . 77.03 109.994 169.547 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.1 m -137.21 152.21 27.65 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 N-CA-C 108.22 -1.03 . . . . 67.9 108.22 174.152 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -100.58 113.76 26.85 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 106.801 -1.555 . . . . 76.92 106.801 170.149 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -101.38 143.01 31.94 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.589 -0.732 . . . . 64.73 109.191 -173.391 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 30.2 tp -136.28 125.45 24.6 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 108.647 -0.872 . . . . 66.82 108.647 171.894 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' VAL . . . . . 0.573 HG22 ' HB2' ' A' ' 95' ' ' CYS . 43.3 t -108.61 118.46 56.25 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 N-CA-C 107.598 -1.26 . . . . 60.28 107.598 -177.646 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 32.3 p -114.72 169.85 8.76 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 125.642 1.577 . . . . 62.15 108.908 177.109 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' TRP . . . . . 0.433 ' CD1' HG11 ' A' ' 66' ' ' VAL . 84.8 m95 -100.24 152.11 20.67 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.437 0.637 . . . . 70.7 109.316 175.073 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -140.86 97.18 3.14 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 103.796 -2.668 . . . . 71.22 103.796 167.809 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 58.04 -115.58 7.13 Favored Glycine 0 N--CA 1.444 -0.807 0 N-CA-C 107.6 -2.2 . . . . 62.39 107.6 -166.6 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ASP . . . . . 0.501 ' HB3' ' O ' ' C' ' 1' ' ' THR . 48.5 m-20 -108.41 18.98 20.38 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 112.72 0.637 . . . . 79.59 112.72 -178.948 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 41.2 t -107.41 116.85 51.92 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 N-CA-C 108.316 -0.994 . . . . 61.99 108.316 -176.748 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -64.41 121.97 15.63 Favored 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 108.709 -0.849 . . . . 66.9 108.709 165.503 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 79.5 t -117.92 126.06 74.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 107.599 -1.26 . . . . 60.46 107.599 173.4 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' CYS . . . . . 0.573 ' HB2' HG22 ' A' ' 86' ' ' VAL . 1.4 t -127.88 140.26 52.12 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 107.481 -1.303 . . . . 65.68 107.481 -174.571 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 85.7 t -115.76 135.03 57.15 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 N-CA-C 107.171 -1.418 . . . . 64.16 107.171 174.427 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -112.54 88.11 2.74 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 105.597 -2.001 . . . . 67.05 105.597 178.556 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.5 ttmm -69.52 143.97 53.28 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-O 122.012 0.91 . . . . 82.51 109.275 176.959 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 157.52 -148.65 18.51 Favored Glycine 0 N--CA 1.432 -1.577 0 N-CA-C 107.236 -2.345 . . . . 60.99 107.236 -163.404 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -78.54 -43.25 27.16 Favored 'General case' 0 CA--C 1.494 -1.195 0 C-N-CA 118.103 -1.439 . . . . 96.64 113.79 -172.272 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' LYS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 101' ' ' LYS . 2.0 mmtp -76.73 126.64 31.33 Favored 'General case' 0 N--CA 1.437 -1.116 0 C-N-CA 118.124 -1.431 . . . . 65.76 107.728 -176.028 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -73.43 144.3 46.38 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 109.002 -0.74 . . . . 78.9 109.002 171.866 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 59.5 t30 57.39 47.22 16.91 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-O 121.883 0.849 . . . . 73.77 111.309 178.921 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ARG . . . . . 0.45 ' NH2' HG21 ' A' ' 74' ' ' THR . 37.7 ttt180 -110.63 124.34 51.71 Favored 'General case' 0 C--O 1.242 0.693 0 N-CA-C 108.711 -0.848 . . . . 64.17 108.711 176.709 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -171.89 -154.37 9.95 Favored Glycine 0 C--O 1.245 0.792 0 C-N-CA 120.81 -0.709 . . . . 54.84 111.785 172.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 19.6 p-90 -165.47 167.58 17.41 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 119.079 -1.048 . . . . 60.19 109.713 174.741 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -138.82 141.77 38.71 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 107.608 -1.256 . . . . 64.98 107.608 -178.182 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -144.82 131.02 19.5 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.783 -1.191 . . . . 77.25 107.783 -172.218 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 23.1 p90 -157.68 157.38 33.43 Favored 'General case' 0 N--CA 1.462 0.161 0 C-N-CA 119.136 -1.025 . . . . 60.61 110.95 178.833 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 6.7 mm -99.69 135.72 33.94 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.35 0 CA-C-N 114.996 -1.002 . . . . 66.36 108.306 178.38 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -134.77 86.88 2.29 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 106.209 -1.774 . . . . 73.52 106.209 173.483 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 80.49 -114.93 3.94 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.837 -0.619 . . . . 74.16 113.645 179.045 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.47 -5.37 58.28 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.581 0.586 . . . . 97.97 112.581 179.123 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 48.3 mttp -120.58 148.8 43.4 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.867 0.842 . . . . 70.93 111.808 -168.9 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.2 tt -105.74 135.16 47.67 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.412 -1.267 . . . . 65.7 107.805 172.44 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -117.44 137.34 52.57 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 107.855 -1.165 . . . . 59.86 107.855 -177.996 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 37.1 tp -139.36 118.9 12.99 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 108.193 -1.039 . . . . 54.07 108.193 -178.9 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -112.65 113.42 25.55 Favored 'General case' 0 C--O 1.24 0.603 0 N-CA-C 108.197 -1.038 . . . . 68.87 108.197 174.372 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.7 mt -95.51 129.63 42.61 Favored 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 108.102 -1.073 . . . . 59.48 108.102 178.211 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 17.2 m -124.89 137.11 54.29 Favored 'General case' 0 C--O 1.243 0.747 0 C-N-CA 120.766 -0.374 . . . . 51.58 111.048 -175.622 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 43.2 t -144.09 111.89 6.16 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 107.427 -1.323 . . . . 58.62 107.427 169.337 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 58.22 -126.47 42.49 Favored Glycine 0 C--N 1.338 0.64 0 N-CA-C 111.185 -0.766 . . . . 57.84 111.185 -176.763 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 26.9 p-10 -81.86 -3.94 55.3 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 113.237 0.828 . . . . 73.36 113.237 -177.69 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 -105.84 131.52 53.07 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-N 119.071 0.851 . . . . 59.98 110.525 -169.704 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 25.4 t -126.49 135.44 63.74 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 N-CA-C 108.325 -0.991 . . . . 52.23 108.325 179.934 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 5.6 t -120.81 124.51 45.23 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 124.817 1.247 . . . . 44.85 109.382 -179.546 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 43.5 mtt-85 -113.61 118.03 33.25 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.937 -0.394 . . . . 50.02 109.937 -172.946 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' GLN . . . . . 0.433 ' HB3' ' HE2' ' C' ' 10' ' ' MET . 25.6 mt-30 -120.51 146.99 45.73 Favored 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 123.501 0.5 . . . . 45.29 110.364 -178.694 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 45.2 t -131.35 137.46 55.42 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 N-CA-C 108.876 -0.787 . . . . 55.69 108.876 -177.078 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' PHE . . . . . 0.453 ' HB3' ' HB3' ' C' ' 8' ' ' TRP . 45.3 m-85 -128.51 131.06 48.29 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.238 0.615 . . . . 71.26 110.459 -175.516 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -90.94 129.91 36.92 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 109.492 -0.559 . . . . 84.63 109.492 173.221 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 132' ' ' LYS . . . . . 0.614 ' HB2' ' CZ3' ' C' ' 8' ' ' TRP . 21.9 tttt -74.06 121.82 21.7 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.343 -0.614 . . . . 78.45 109.343 178.209 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 2.6 tppt? . . . . . 0 C--O 1.24 0.556 0 C-N-CA 119.65 -0.82 . . . . 97.32 109.046 172.501 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' THR . . . . . 0.578 ' O ' ' HB3' ' C' ' 91' ' ' ASP . 90.2 m . . . . . 0 CA--C 1.54 0.594 0 N-CA-C 115.289 1.588 . . . . 103.77 115.289 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 2' ' ' ARG . . . . . 0.448 ' HG2' ' CH2' ' C' ' 88' ' ' TRP . 5.8 ttm180 -127.78 9.76 6.46 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 112.839 0.681 . . . . 102.09 112.839 176.391 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -132.95 135.84 45.75 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 119.023 0.829 . . . . 87.21 111.755 179.336 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' PHE . . . . . 0.5 ' HA ' HD11 ' C' ' 110' ' ' ILE . 2.1 m-85 -115.5 12.45 16.21 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 125.491 1.516 . . . . 80.23 113.322 -165.622 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 5' ' ' ASN . . . . . 0.418 ' OD1' ' N ' ' B' ' 44' ' ' GLN . 1.5 m120 -60.43 130.03 44.58 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 119.113 0.869 . . . . 73.59 110.623 -171.457 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 141.71 -177.19 21.46 Favored Glycine 0 N--CA 1.442 -0.929 0 CA-C-N 115.45 -0.795 . . . . 66.89 112.903 178.111 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' THR . . . . . 0.815 HG22 HG12 ' B' ' 41' ' ' VAL . 6.4 p -109.71 120.36 42.23 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 108.24 -1.022 . . . . 84.51 108.24 177.09 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 8' ' ' TRP . . . . . 0.642 ' CZ3' ' HB2' ' C' ' 132' ' ' LYS . 96.0 m95 -107.48 120.81 43.21 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 124.251 1.02 . . . . 70.6 109.76 -171.691 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 9' ' ' GLU . . . . . 0.538 ' HA ' HG22 ' B' ' 39' ' ' THR . 78.6 tt0 -101.28 124.63 47.28 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 123.928 0.891 . . . . 92.89 110.17 -179.788 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 10' ' ' MET . . . . . 0.583 ' HE3' ' HD2' ' B' ' 38' ' ' PHE . 0.5 OUTLIER -74.93 135.17 41.44 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 116.503 -0.317 . . . . 59.18 111.427 -172.992 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 11' ' ' GLU . . . . . 0.406 ' N ' ' HG2' ' B' ' 10' ' ' MET . 16.3 pt-20 -117.67 -12.27 10.31 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 115.107 1.521 . . . . 81.61 115.107 179.303 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 5.1 p -154.35 153.91 32.43 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 107.219 -1.4 . . . . 48.65 107.219 178.669 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' ASN . . . . . 0.505 ' HB2' ' HE2' ' B' ' 10' ' ' MET . 48.0 t30 -163.86 98.24 0.86 Allowed 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 109.703 -0.48 . . . . 49.78 109.703 -171.983 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -104.27 140.55 37.7 Favored 'General case' 0 N--CA 1.457 -0.082 0 O-C-N 123.423 0.452 . . . . 81.08 111.515 -170.78 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 55.8 t30 59.03 27.99 17.11 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 112.856 0.687 . . . . 54.68 112.856 173.428 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -57.63 -45.44 85.41 Favored 'General case' 0 C--O 1.246 0.886 0 C-N-CA 120.448 -0.501 . . . . 56.32 111.244 175.774 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -67.56 -30.9 70.65 Favored 'General case' 0 CA--C 1.512 -0.492 0 C-N-CA 119.934 -0.706 . . . . 62.05 111.389 179.742 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -66.1 -46.67 78.82 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 118.924 -1.608 . . . . 45.95 111.128 175.988 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -55.46 -44.52 76.49 Favored 'General case' 0 N--CA 1.451 -0.394 0 O-C-N 122.586 -0.361 . . . . 57.11 110.24 177.71 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' MET . . . . . 0.759 ' HE2' ' HG2' ' B' ' 30' ' ' ARG . 76.7 mtp -74.07 -31.33 62.81 Favored 'General case' 0 C--N 1.344 0.336 0 C-N-CA 119.411 -0.915 . . . . 64.56 112.054 -176.301 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 38.8 mttt -68.52 -26.28 65.36 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 118.282 -1.367 . . . . 78.61 110.422 174.077 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.41 -26.25 61.79 Favored 'General case' 0 C--O 1.242 0.674 0 C-N-CA 118.669 -1.212 . . . . 48.73 110.761 175.859 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' LEU . . . . . 0.442 HD22 ' NH2' ' C' ' 104' ' ' ARG . 32.2 mt -87.0 10.07 17.56 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.86 0.689 . . . . 52.42 112.86 172.93 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 24' ' ' ASP . . . . . 0.42 ' OD2' ' NZ ' ' C' ' 101' ' ' LYS . 9.8 m-20 60.26 17.13 6.72 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 118.8 0.727 . . . . 56.6 112.427 179.716 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 44.3 mt -61.2 136.88 24.29 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 O-C-N 121.599 -0.688 . . . . 53.4 110.251 -178.493 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -67.62 166.07 15.77 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 122.2 1.0 . . . . 53.38 110.975 -168.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' PHE . . . . . 0.456 ' CE1' ' HE2' ' B' ' 31' ' ' LYS . 66.3 t80 -70.52 -39.63 73.95 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.04 -0.982 . . . . 64.64 112.005 -168.912 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.48 -54.07 45.46 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 121.629 -0.67 . . . . 49.24 111.058 179.4 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' THR . . . . . 0.511 ' HA ' HD12 ' B' ' 32' ' ' ILE . 1.6 m -50.31 -40.64 49.23 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 120.296 -0.562 . . . . 51.7 111.757 172.997 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 30' ' ' ARG . . . . . 0.759 ' HG2' ' HE2' ' B' ' 20' ' ' MET . 77.7 mtm-85 -64.29 -43.15 95.68 Favored 'General case' 0 C--O 1.245 0.849 0 C-N-CA 119.745 -0.782 . . . . 62.78 111.704 179.947 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 31' ' ' LYS . . . . . 0.456 ' HE2' ' CE1' ' B' ' 27' ' ' PHE . 10.7 mmtm -62.33 -29.28 70.34 Favored 'General case' 0 C--O 1.241 0.615 0 C-N-CA 120.395 -0.522 . . . . 57.38 111.407 175.997 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 32' ' ' ILE . . . . . 0.511 HD12 ' HA ' ' B' ' 29' ' ' THR . 20.5 mt -67.93 -50.04 63.09 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 C-N-CA 118.765 -1.174 . . . . 47.94 109.52 171.661 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.64 -44.76 90.17 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 116.15 -0.477 . . . . 52.45 111.354 -170.271 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 17.1 m -71.85 -5.04 5.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 N-CA-C 113.235 0.828 . . . . 60.34 113.235 -170.392 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 60.6 mtp85 -99.56 6.1 45.86 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 113.557 0.947 . . . . 64.27 113.557 174.756 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 20.5 mt -107.44 152.17 24.56 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 118.375 0.534 . . . . 53.2 110.975 -171.01 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 15.0 t -122.25 149.94 43.0 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 107.179 -1.415 . . . . 54.36 107.179 168.59 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' PHE . . . . . 0.583 ' HD2' ' HE3' ' B' ' 10' ' ' MET . 79.4 m-85 -117.6 150.92 38.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.343 0.592 . . . . 61.61 111.498 -171.748 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 39' ' ' THR . . . . . 0.538 HG22 ' HA ' ' B' ' 9' ' ' GLU . 76.7 p -139.34 114.26 9.42 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 107.574 -1.269 . . . . 65.14 107.574 169.638 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -96.2 140.69 30.53 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 123.437 0.695 . . . . 64.25 110.13 -176.473 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' VAL . . . . . 0.815 HG12 HG22 ' B' ' 7' ' ' THR . 34.7 m -110.64 123.89 66.94 Favored 'Isoleucine or valine' 0 C--O 1.241 0.629 0 N-CA-C 107.513 -1.291 . . . . 70.23 107.513 179.08 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 42' ' ' ILE . . . . . 0.542 HG12 HG22 ' B' ' 51' ' ' THR . 74.1 mt -127.83 122.59 59.1 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 N-CA-C 109.199 -0.667 . . . . 76.69 109.199 -169.288 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -122.97 133.1 54.39 Favored 'General case' 0 C--O 1.242 0.665 0 N-CA-C 109.0 -0.741 . . . . 87.2 109.0 170.003 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' GLN . . . . . 0.431 ' NE2' ' CZ ' ' B' ' 49' ' ' PHE . 12.8 tt0 -120.01 131.44 55.14 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 108.293 -1.003 . . . . 78.69 108.293 -177.101 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -124.15 105.75 9.77 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 106.567 -1.642 . . . . 87.1 106.567 160.646 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 63.19 -127.5 38.03 Favored Glycine 0 C--N 1.334 0.43 0 N-CA-C 109.493 -1.443 . . . . 70.05 109.493 -176.235 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -85.31 1.03 50.15 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 118.784 -0.627 . . . . 68.48 112.346 176.771 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -87.19 123.1 31.85 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 123.752 0.821 . . . . 67.03 110.678 -175.837 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' PHE . . . . . 0.431 ' CZ ' ' NE2' ' B' ' 44' ' ' GLN . 63.8 m-85 -119.59 130.26 55.03 Favored 'General case' 0 C--O 1.242 0.67 0 CA-C-N 116.099 -0.501 . . . . 63.68 111.459 -177.536 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . . . -114.3 123.07 48.61 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 107.344 -1.354 . . . . 69.21 107.344 164.986 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' THR . . . . . 0.542 HG22 HG12 ' B' ' 42' ' ' ILE . 32.0 p -135.85 134.97 39.4 Favored 'General case' 0 C--O 1.236 0.343 0 O-C-N 123.038 0.211 . . . . 69.63 110.71 178.772 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 52' ' ' LYS . . . . . 0.444 ' HD3' ' OD1' ' C' ' 61' ' ' ASP . 6.1 ttpp -126.92 124.61 39.93 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.55 0.531 . . . . 81.4 110.659 177.396 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.08 126.91 38.41 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 124.136 0.974 . . . . 68.6 111.056 -179.516 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 15.1 m -122.75 155.65 36.07 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 125.018 1.327 . . . . 71.28 108.906 -175.026 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.48 -106.52 0.36 Allowed 'General case' 0 C--O 1.251 1.179 0 N-CA-C 111.559 0.207 . . . . 76.11 111.559 -169.426 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 18.2 p 74.6 152.74 0.13 Allowed 'General case' 0 C--N 1.35 0.599 0 C-N-CA 128.295 2.638 . . . . 60.94 112.925 -160.486 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -85.22 147.92 26.34 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 122.108 0.956 . . . . 52.85 111.591 -174.762 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 6.3 tp -65.01 143.58 57.85 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 114.519 -1.219 . . . . 63.32 111.308 -178.416 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' ASN . . . . . 0.488 ' CG ' HG22 ' A' ' 54' ' ' THR . 73.8 m-20 -98.07 153.59 18.31 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.709 -0.678 . . . . 71.57 109.433 174.744 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -136.99 126.76 25.55 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 108.872 -0.788 . . . . 67.78 108.872 -169.539 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' ASP . . . . . 0.411 ' HA ' ' O ' ' A' ' 51' ' ' THR . 2.9 m-20 -117.31 121.55 41.46 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 123.018 0.527 . . . . 81.36 110.819 -169.934 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 54.6 t -115.22 111.16 34.63 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 N-CA-C 106.43 -1.693 . . . . 65.34 106.43 178.154 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -111.89 145.37 39.63 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 110.254 -0.276 . . . . 65.43 110.254 177.907 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -169.99 156.61 6.17 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.41 0.624 . . . . 64.25 109.88 -176.649 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 89.5 m -106.27 144.36 33.07 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 107.631 -1.248 . . . . 60.93 107.631 166.005 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 t -66.4 134.39 29.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 N-CA-C 109.215 -0.661 . . . . 63.62 109.215 179.796 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 86.4 -9.65 69.71 Favored Glycine 0 N--CA 1.438 -1.179 0 N-CA-C 115.611 1.005 . . . . 67.98 115.611 -178.924 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 45.9 t -103.14 121.8 54.82 Favored 'Isoleucine or valine' 0 C--O 1.242 0.678 0 CA-C-N 119.179 1.489 . . . . 55.87 108.094 179.569 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 54.3 tt0 -64.42 143.84 57.61 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.441 -0.577 . . . . 67.2 109.441 175.926 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -150.49 152.07 33.67 Favored 'General case' 0 CA--C 1.517 -0.325 0 C-N-CA 118.277 -1.369 . . . . 56.06 109.653 177.012 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -76.6 117.76 18.56 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.368 -0.833 . . . . 71.68 109.076 173.183 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . . . -103.94 131.89 50.73 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 108.685 -0.857 . . . . 58.85 108.685 164.399 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -100.95 112.49 24.95 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 106.604 -1.628 . . . . 75.4 106.604 168.064 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 36.8 p -82.86 59.19 4.7 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 122.874 1.321 . . . . 59.55 111.396 -167.34 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -55.87 167.73 0.54 Allowed 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 118.605 -1.238 . . . . 71.42 107.761 158.073 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 8.6 p 73.55 -21.74 0.25 Allowed 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 113.105 0.78 . . . . 70.39 113.105 -175.413 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.6 mp -129.22 -89.14 0.51 Allowed 'General case' 0 C--O 1.234 0.28 0 C-N-CA 117.788 -1.565 . . . . 75.42 111.409 170.989 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -108.03 -3.71 18.48 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 114.349 1.24 . . . . 52.29 114.349 -168.728 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 60.24 45.84 10.98 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.123 0.874 . . . . 70.66 111.906 176.497 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 65.9 mtt85 -113.06 156.89 22.31 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 121.11 0.481 . . . . 56.05 109.839 175.27 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -93.67 136.72 33.66 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.127 -0.942 . . . . 70.54 109.687 173.439 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 82' ' ' VAL . . . . . . . . . . . . . 31.0 m -146.13 150.32 15.42 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 N-CA-C 109.171 -0.677 . . . . 55.5 109.171 -175.498 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? -91.71 99.21 12.15 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 107.762 -1.199 . . . . 75.91 107.762 170.765 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -91.43 133.46 35.45 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 108.714 -0.847 . . . . 57.09 108.714 -176.865 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 38.9 tp -134.85 128.51 32.82 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 108.754 -0.832 . . . . 58.27 108.754 176.46 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 86' ' ' VAL . . . . . 0.432 HG22 ' HB2' ' B' ' 95' ' ' CYS . 42.0 t -116.33 134.52 59.47 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 N-CA-C 108.742 -0.836 . . . . 59.96 108.742 -172.053 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 26.1 p -139.89 158.93 43.28 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 123.545 0.738 . . . . 61.31 110.1 -172.88 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 88' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -88.08 136.35 33.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.727 -0.67 . . . . 73.69 110.238 169.667 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -133.08 100.77 4.98 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 105.178 -2.156 . . . . 98.06 105.178 164.665 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 64.32 -123.74 28.25 Favored Glycine 0 C--N 1.333 0.381 0 N-CA-C 109.805 -1.318 . . . . 69.45 109.805 -165.2 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 91' ' ' ASP . . . . . . . . . . . . . 26.6 p30 -105.76 21.25 17.58 Favored 'General case' 0 C--O 1.237 0.401 0 O-C-N 122.004 -0.703 . . . . 82.08 112.067 171.967 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 92' ' ' VAL . . . . . 0.47 HG22 ' HB3' ' B' ' 109' ' ' TRP . 63.5 t -104.26 117.53 49.98 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 N-CA-C 108.848 -0.797 . . . . 67.24 108.848 -178.544 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 26.5 mt -72.98 121.35 19.96 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 109.934 -0.395 . . . . 67.55 109.934 171.559 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 3.3 t -119.2 119.06 59.62 Favored 'Isoleucine or valine' 0 C--O 1.242 0.707 0 N-CA-C 108.047 -1.094 . . . . 62.99 108.047 -179.185 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 95' ' ' CYS . . . . . 0.432 ' HB2' HG22 ' B' ' 86' ' ' VAL . 41.2 t -109.37 138.93 45.0 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 108.179 -1.045 . . . . 52.75 108.179 175.96 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 2.3 t -116.71 125.64 73.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 106.722 -1.585 . . . . 57.6 106.722 170.192 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -101.81 85.93 2.81 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 107.131 -1.433 . . . . 57.15 107.131 178.229 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 27.2 tttm -63.15 136.79 57.97 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.186 -0.915 . . . . 65.99 110.07 178.664 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . 163.75 -149.1 16.01 Favored Glycine 0 CA--C 1.523 0.555 0 C-N-CA 118.567 -1.778 . . . . 63.12 111.595 178.762 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . . . -67.24 -30.32 70.19 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-N 114.162 -1.019 . . . . 61.96 112.698 -168.805 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -99.88 131.43 45.86 Favored 'General case' 0 C--O 1.238 0.468 0 N-CA-C 108.696 -0.853 . . . . 61.14 108.696 -178.656 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -82.06 147.68 28.99 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 120.146 -0.622 . . . . 81.62 110.617 -175.182 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 61.38 46.24 7.85 Favored 'General case' 0 N--CA 1.461 0.112 0 CA-C-N 115.011 -0.995 . . . . 79.85 111.003 174.802 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 46.2 ttt180 -109.05 120.64 43.15 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.723 -0.671 . . . . 60.42 109.722 -173.476 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . -179.53 -162.96 29.54 Favored Glycine 0 C--N 1.33 0.204 0 C-N-CA 119.99 -1.1 . . . . 58.16 112.403 178.5 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 106' ' ' TRP . . . . . 0.506 ' CZ3' ' HE3' ' B' ' 108' ' ' LYS . 47.9 p-90 -164.72 145.04 7.54 Favored 'General case' 0 C--O 1.223 -0.315 0 C-N-CA 118.698 -1.201 . . . . 50.4 110.219 -178.443 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -116.85 151.5 36.43 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 123.386 0.674 . . . . 68.89 110.911 173.273 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 108' ' ' LYS . . . . . 0.506 ' HE3' ' CZ3' ' B' ' 106' ' ' TRP . 8.5 ttmt -146.24 135.53 22.84 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.577 -0.738 . . . . 61.17 109.104 -170.23 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 109' ' ' TRP . . . . . 0.47 ' HB3' HG22 ' B' ' 92' ' ' VAL . 21.8 p90 -165.14 154.52 12.75 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 118.372 -1.331 . . . . 67.87 111.455 -179.556 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 39.5 mt -102.1 132.63 47.69 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 CA-C-N 115.35 -0.841 . . . . 66.52 109.466 -174.726 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -133.47 119.15 19.21 Favored 'General case' 0 C--O 1.242 0.703 0 N-CA-C 106.886 -1.524 . . . . 75.76 106.886 177.888 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . 58.74 -115.3 7.01 Favored Glycine 0 N--CA 1.449 -0.457 0 N-CA-C 108.842 -1.703 . . . . 80.84 108.842 -169.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 37.3 p-10 -110.64 5.9 21.34 Favored 'General case' 0 C--O 1.239 0.509 0 N-CA-C 112.584 0.587 . . . . 90.96 112.584 -179.739 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 114' ' ' LYS . . . . . . . . . . . . . 18.9 mtmm -107.53 147.4 30.59 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-O 121.414 0.626 . . . . 80.95 111.331 -174.184 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 115' ' ' LEU . . . . . 0.46 ' HB3' ' HB2' ' B' ' 130' ' ' PHE . 6.1 tt -100.45 138.61 37.28 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.501 -0.772 . . . . 62.66 110.287 174.072 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -120.82 129.91 53.75 Favored 'General case' 0 C--O 1.239 0.538 0 N-CA-C 108.243 -1.021 . . . . 72.1 108.243 -173.072 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 8.5 tp -130.58 128.73 41.66 Favored 'General case' 0 CA--C 1.521 -0.167 0 N-CA-C 109.516 -0.55 . . . . 58.96 109.516 -176.662 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -119.16 118.11 30.48 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 107.487 -1.301 . . . . 89.23 107.487 171.544 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 2.4 mt -104.16 125.38 50.43 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 107.294 -1.372 . . . . 60.45 107.294 176.502 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 120' ' ' THR . . . . . . . . . . . . . 22.2 m -122.97 140.17 53.3 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-O 121.256 0.551 . . . . 55.89 110.682 -175.261 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 43.3 t -148.23 112.52 5.25 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 106.937 -1.505 . . . . 61.11 106.937 170.983 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 57.63 -134.74 52.24 Favored Glycine 0 C--O 1.237 0.318 0 C-N-CA 119.944 -1.122 . . . . 64.3 111.362 179.89 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.2 -19.18 43.14 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 113.15 0.796 . . . . 94.93 113.15 178.126 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 124' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 -103.05 140.58 37.11 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 113.584 0.957 . . . . 67.69 113.584 -158.406 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 96.7 t -133.22 118.94 33.91 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 CA-C-N 115.467 -0.788 . . . . 64.43 110.023 -179.03 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 126' ' ' CYS . . . . . . . . . . . . . 44.4 t -100.1 131.71 45.9 Favored 'General case' 0 C--O 1.241 0.618 0 N-CA-C 108.786 -0.82 . . . . 53.81 108.786 171.045 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . . . -120.06 119.0 32.09 Favored 'General case' 0 C--O 1.243 0.722 0 N-CA-C 107.855 -1.165 . . . . 54.45 107.855 -176.653 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -122.76 150.31 42.95 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 123.638 0.775 . . . . 61.33 109.969 -178.437 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 129' ' ' VAL . . . . . . . . . . . . . 3.0 t -132.67 140.14 48.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 C-N-CA 122.807 0.443 . . . . 62.04 110.162 177.836 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 130' ' ' PHE . . . . . 0.495 ' HB3' ' HB3' ' A' ' 8' ' ' TRP . 45.3 m-85 -122.47 153.3 39.32 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 124.944 1.297 . . . . 59.93 110.818 -175.905 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 131' ' ' LYS . . . . . 0.549 ' HE2' ' OE2' ' A' ' 9' ' ' GLU . 0.5 OUTLIER -111.97 142.76 43.98 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 125.209 1.403 . . . . 80.69 109.146 168.575 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -75.27 144.61 42.43 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 109.699 -0.482 . . . . 80.93 109.699 176.09 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.506 2.359 0 CA-C-O 122.885 1.326 . . . . 99.39 110.511 -169.602 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 1' ' ' THR . . . . . 0.501 ' O ' ' HB3' ' A' ' 91' ' ' ASP . 83.5 m . . . . . 0 CA--C 1.532 0.259 0 N-CA-C 110.256 -0.276 . . . . 99.63 110.256 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -107.13 4.57 26.98 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 113.023 0.749 . . . . 80.42 113.023 -175.789 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 3' ' ' ASP . . . . . 0.501 ' H ' HG22 ' C' ' 1' ' ' THR . 3.9 t70 -114.33 126.73 55.34 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 118.878 0.763 . . . . 94.25 110.48 -175.173 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -115.22 13.35 16.72 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 123.734 0.814 . . . . 72.53 112.86 -172.906 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 5' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -64.03 137.87 58.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 118.853 0.751 . . . . 87.8 110.718 -172.684 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 6' ' ' GLY . . . . . . . . . . . . . . . 138.89 171.09 12.03 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 119.412 -1.375 . . . . 63.98 113.821 174.011 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 12.8 p -98.15 124.72 42.84 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 107.093 -1.447 . . . . 71.07 107.093 172.566 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 8' ' ' TRP . . . . . 0.614 ' CZ3' ' HB2' ' A' ' 132' ' ' LYS . 72.2 m95 -116.55 127.14 54.25 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.464 -1.31 . . . . 68.64 107.464 -172.886 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -114.63 127.72 55.93 Favored 'General case' 0 C--O 1.241 0.617 0 N-CA-C 109.905 -0.406 . . . . 81.67 109.905 -175.009 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 10' ' ' MET . . . . . 0.433 ' HE2' ' HB3' ' A' ' 128' ' ' GLN . 40.9 ttm -60.77 151.55 29.28 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 121.856 0.836 . . . . 55.51 111.183 -171.95 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -134.35 -35.58 0.91 Allowed 'General case' 0 C--O 1.24 0.56 0 CA-C-N 115.126 -0.943 . . . . 76.34 109.909 -173.312 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 31.5 p -142.0 155.27 45.43 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 109.199 -0.667 . . . . 54.85 109.199 178.482 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -161.37 88.71 0.74 Allowed 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 108.339 -0.986 . . . . 53.31 108.339 -173.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -94.37 151.52 19.34 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.362 0.601 . . . . 76.01 110.75 -175.428 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 64.5 t30 46.39 36.07 3.2 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.085 0.954 . . . . 51.41 112.6 178.524 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -67.34 -42.62 83.27 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 117.482 -1.687 . . . . 59.22 110.858 178.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.31 -31.71 72.67 Favored 'General case' 0 C--N 1.346 0.443 0 C-N-CA 119.522 -0.871 . . . . 80.87 111.122 -179.434 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . -66.11 -47.44 72.99 Favored Glycine 0 C--N 1.34 0.764 0 C-N-CA 119.938 -1.125 . . . . 54.88 112.276 177.022 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -54.88 -40.55 69.84 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 122.232 -0.569 . . . . 76.04 111.015 173.096 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 20' ' ' MET . . . . . 0.549 ' HG2' HD12 ' C' ' 25' ' ' ILE . 42.4 mtm -74.32 -27.21 60.6 Favored 'General case' 0 C--O 1.243 0.749 0 C-N-CA 118.934 -1.106 . . . . 63.67 111.721 -178.464 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 53.1 mttt -69.44 -44.36 71.43 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.53 -0.468 . . . . 66.15 110.755 174.546 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.34 -32.31 64.57 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 112.04 0.385 . . . . 60.18 112.04 175.127 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 47.7 mt -85.36 0.15 53.0 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 112.891 0.7 . . . . 60.89 112.891 -178.853 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 64.86 30.46 12.11 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.283 1.033 . . . . 74.3 112.415 178.773 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 25' ' ' ILE . . . . . 0.549 HD12 ' HG2' ' C' ' 20' ' ' MET . 39.4 mt -65.5 132.12 31.22 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 N-CA-C 108.953 -0.758 . . . . 66.83 108.953 176.768 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 26' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -61.23 153.63 25.7 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 121.403 0.62 . . . . 57.65 110.102 -179.033 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -57.3 -41.92 80.79 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 115.485 -0.78 . . . . 70.33 112.304 -168.298 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.47 -42.17 83.42 Favored 'General case' 0 C--O 1.243 0.755 0 C-N-CA 118.601 -1.24 . . . . 45.97 110.441 -174.212 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 29' ' ' THR . . . . . 0.409 ' HA ' HD12 ' C' ' 32' ' ' ILE . 24.9 m -61.14 -39.34 89.7 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 119.982 -0.687 . . . . 47.12 110.911 177.571 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 30' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -59.67 -46.47 88.96 Favored 'General case' 0 C--O 1.242 0.705 0 C-N-CA 119.466 -0.894 . . . . 58.46 110.069 176.327 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -66.79 -20.28 65.91 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.563 -0.455 . . . . 70.69 111.899 -177.176 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 32' ' ' ILE . . . . . 0.409 HD12 ' HA ' ' C' ' 29' ' ' THR . 36.9 mt -79.41 -56.43 7.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 CA-C-O 121.422 0.63 . . . . 48.44 111.031 171.779 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.84 -43.17 85.7 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 116.163 -0.471 . . . . 50.3 111.931 -174.156 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 34' ' ' VAL . . . . . . . . . . . . . 5.5 p -61.79 -11.27 5.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 117.809 -1.556 . . . . 60.4 112.427 -176.879 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 35' ' ' ARG . . . . . 0.419 ' NH2' ' O ' ' C' ' 76' ' ' SER . 2.9 mtt-85 -96.19 13.62 26.77 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 113.57 0.952 . . . . 71.92 113.57 -179.501 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 20.6 mt -115.69 149.11 38.93 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 118.445 0.566 . . . . 50.77 110.884 -169.401 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 14.8 t -114.31 147.99 38.24 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 125.129 1.372 . . . . 51.5 108.251 164.401 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 38' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -122.29 145.09 48.57 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-O 121.029 0.443 . . . . 53.88 110.269 -169.086 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 99.4 m -125.37 130.59 52.22 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.373 -0.973 . . . . 62.76 108.373 167.231 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -109.82 118.45 36.52 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.837 -1.171 . . . . 72.89 107.837 -179.602 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 41' ' ' VAL . . . . . . . . . . . . . 2.7 m -96.35 122.31 47.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 N-CA-C 106.101 -1.814 . . . . 68.73 106.101 171.101 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 42' ' ' ILE . . . . . 0.664 HG12 HG22 ' C' ' 51' ' ' THR . 35.9 mt -118.04 131.36 71.02 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 N-CA-C 107.563 -1.273 . . . . 69.18 107.563 -176.173 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 43' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -122.71 130.63 53.16 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 124.158 0.983 . . . . 93.87 109.359 172.843 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 44' ' ' GLN . . . . . 0.41 ' HB3' ' H ' ' C' ' 45' ' ' ASP . 10.8 tt0 -126.49 -106.64 0.32 Allowed 'General case' 0 C--O 1.236 0.35 0 N-CA-C 115.498 1.666 . . . . 83.33 115.498 -168.917 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 45' ' ' ASP . . . . . 0.41 ' H ' ' HB3' ' C' ' 44' ' ' GLN . 6.0 t70 57.55 110.12 0.01 OUTLIER 'General case' 0 C--O 1.238 0.456 0 C-N-CA 124.06 0.944 . . . . 100.74 111.137 -165.428 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.61 -157.19 32.5 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-O 122.494 1.052 . . . . 83.58 111.823 -178.787 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 47' ' ' ASP . . . . . 0.438 ' O ' ' HA ' ' A' ' 65' ' ' THR . 90.5 m-20 -93.23 15.33 15.71 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 114.503 -0.848 . . . . 79.92 112.594 173.3 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -108.01 112.64 25.31 Favored 'General case' 0 C--O 1.24 0.574 0 N-CA-C 108.786 -0.82 . . . . 80.89 108.786 -177.856 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 49' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -110.07 140.5 44.06 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 124.853 1.261 . . . . 71.34 110.45 -173.521 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 5.3 tttm -130.72 116.03 17.47 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 107.914 -1.143 . . . . 76.07 107.914 170.091 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 51' ' ' THR . . . . . 0.664 HG22 HG12 ' C' ' 42' ' ' ILE . 71.4 p -117.97 128.57 54.93 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 109.19 -0.67 . . . . 78.99 109.19 -176.172 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 52' ' ' LYS . . . . . . . . . . . . . . . -114.26 115.73 27.89 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 106.616 -1.624 . . . . 65.19 106.616 168.44 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -98.47 124.74 43.36 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 108.416 -0.957 . . . . 63.9 108.416 174.906 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 2.6 p -121.49 150.13 42.04 Favored 'General case' 0 CA--C 1.519 -0.212 0 C-N-CA 124.925 1.29 . . . . 62.82 109.209 178.445 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 3.7 p -125.73 148.92 48.91 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.885 -0.783 . . . . 51.84 108.885 -177.371 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 71.9 p -139.81 167.54 21.87 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 122.045 0.926 . . . . 51.09 108.92 165.781 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 57' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -73.65 135.14 43.75 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 119.525 -0.87 . . . . 50.37 110.125 -179.509 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 44.7 tp -68.62 136.15 52.56 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.35 -0.841 . . . . 55.95 109.185 -175.119 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -64.31 165.17 9.97 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 122.474 1.13 . . . . 63.05 111.205 168.327 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 60' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -140.79 113.38 8.13 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 105.678 -1.971 . . . . 77.78 105.678 -176.528 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 61' ' ' ASP . . . . . 0.444 ' OD1' ' HD3' ' B' ' 52' ' ' LYS . 2.1 m-20 -100.69 132.71 45.95 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-O 120.593 0.235 . . . . 87.43 111.085 -170.673 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 19.7 t -132.43 121.63 46.02 Favored 'Isoleucine or valine' 0 C--O 1.241 0.621 0 N-CA-C 108.301 -1.0 . . . . 67.55 108.301 169.053 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -123.43 139.77 53.68 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 125.328 1.451 . . . . 72.31 108.739 -178.269 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 64' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -160.28 172.46 17.33 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 118.784 -1.166 . . . . 67.19 109.673 -177.201 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 65' ' ' THR . . . . . 0.462 ' O ' HG22 ' C' ' 68' ' ' VAL . 73.6 m -123.55 142.09 51.36 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 114.97 -1.014 . . . . 68.66 108.853 162.511 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 66' ' ' VAL . . . . . 0.615 HG11 ' CD1' ' C' ' 88' ' ' TRP . 59.9 t -62.32 108.94 0.58 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.415 0 N-CA-C 108.731 -0.84 . . . . 71.51 108.731 -176.055 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 122.96 -26.09 6.25 Favored Glycine 0 C--N 1.335 0.514 0 CA-C-O 119.542 -0.588 . . . . 69.62 114.404 176.737 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 68' ' ' VAL . . . . . 0.462 HG22 ' O ' ' C' ' 65' ' ' THR . 29.6 m -92.52 117.52 36.06 Favored 'Isoleucine or valine' 0 C--O 1.24 0.605 0 CA-C-N 117.882 0.841 . . . . 69.21 110.149 -172.658 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -59.39 146.04 41.36 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 116.042 -0.526 . . . . 73.56 109.795 177.627 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 70' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -154.85 144.19 21.21 Favored 'General case' 0 CA--C 1.515 -0.377 0 C-N-CA 119.524 -0.87 . . . . 70.52 109.547 177.263 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -78.7 136.66 37.49 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 119.625 -0.83 . . . . 79.08 110.497 177.207 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 72' ' ' GLU . . . . . 0.71 ' OE2' ' O ' ' C' ' 301' ' ' HOH . 3.6 tt0 -114.16 133.97 55.22 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 125.5 1.52 . . . . 76.93 107.265 177.299 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 73' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -108.12 93.35 4.48 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 106.229 -1.767 . . . . 57.84 106.229 168.098 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 74' ' ' THR . . . . . 0.551 ' CG2' ' H ' ' C' ' 80' ' ' ARG . 8.5 t -63.11 89.08 0.03 OUTLIER 'General case' 0 C--O 1.251 1.147 0 N-CA-C 107.895 -1.15 . . . . 75.56 107.895 -174.682 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 75' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -85.92 -42.92 13.65 Favored 'General case' 0 CA--C 1.508 -0.661 0 C-N-CA 127.802 2.441 . . . . 85.01 110.952 -171.577 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 76' ' ' SER . . . . . 0.419 ' O ' ' NH2' ' C' ' 35' ' ' ARG . 1.2 t -71.04 -12.76 61.7 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 125.215 1.406 . . . . 78.32 112.225 -178.875 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 22.2 mt -126.01 -102.49 0.36 Allowed 'General case' 0 C--O 1.234 0.271 0 C-N-CA 123.38 0.672 . . . . 52.85 112.397 -173.496 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 78' ' ' ASP . . . . . 0.4 ' OD2' ' NH2' ' C' ' 104' ' ' ARG . 15.7 p-10 -103.53 13.02 34.31 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 114.367 1.247 . . . . 48.78 114.367 -170.787 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 79' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' C' ' 74' ' ' THR . 87.4 m-20 59.03 55.76 4.29 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 118.888 0.767 . . . . 58.58 111.149 172.329 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 80' ' ' ARG . . . . . 0.551 ' H ' ' CG2' ' C' ' 74' ' ' THR . 40.9 mtt85 -131.86 153.43 50.21 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 118.877 -1.129 . . . . 54.07 109.777 -172.094 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 81' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -90.32 129.74 36.51 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 109.13 -0.693 . . . . 62.15 109.13 175.307 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 35.4 m -137.54 154.81 30.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 105.903 -1.888 . . . . 53.2 105.903 174.47 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 5.8 mmtt -107.44 109.62 21.37 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 107.528 -1.286 . . . . 80.64 107.528 172.299 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 84' ' ' ALA . . . . . . . . . . . . . . . -99.52 145.81 27.08 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.572 0.749 . . . . 69.18 111.445 -172.028 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 85' ' ' LEU . . . . . 0.576 ' O ' ' HA ' ' C' ' 95' ' ' CYS . 11.6 tp -137.98 135.96 36.48 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 114.87 -1.059 . . . . 70.68 108.446 173.232 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 86' ' ' VAL . . . . . 0.465 HG22 ' HB2' ' C' ' 95' ' ' CYS . 13.0 t -119.3 128.18 75.84 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 N-CA-C 108.138 -1.06 . . . . 68.28 108.138 -179.621 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 18.6 p -126.62 157.68 38.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.389 0.614 . . . . 69.44 109.572 179.278 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 88' ' ' TRP . . . . . 0.615 ' CD1' HG11 ' C' ' 66' ' ' VAL . 94.4 m95 -81.93 144.37 30.99 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 119.449 -0.9 . . . . 77.55 108.655 166.468 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -138.98 105.99 5.44 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 104.828 -2.286 . . . . 83.83 104.828 165.858 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 90' ' ' GLY . . . . . . . . . . . . . . . 61.39 -114.44 6.7 Favored Glycine 0 C--O 1.237 0.284 0 N-CA-C 109.118 -1.593 . . . . 85.37 109.118 -168.314 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 91' ' ' ASP . . . . . 0.578 ' HB3' ' O ' ' B' ' 1' ' ' THR . 81.0 m-20 -110.17 19.72 18.63 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 123.513 0.725 . . . . 93.91 112.082 177.867 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 92' ' ' VAL . . . . . 0.618 HG13 ' HB3' ' C' ' 109' ' ' TRP . 3.9 t -120.2 123.28 70.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 N-CA-C 108.565 -0.902 . . . . 73.28 108.565 -164.834 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 93' ' ' LEU . . . . . . . . . . . . . 17.3 mt -77.63 125.65 29.66 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 109.765 -0.457 . . . . 75.57 109.765 174.546 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 94' ' ' VAL . . . . . . . . . . . . . 53.5 t -123.74 104.9 14.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 105.743 -1.947 . . . . 76.15 105.743 -172.111 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 95' ' ' CYS . . . . . 0.576 ' HA ' ' O ' ' C' ' 85' ' ' LEU . 38.2 t -104.7 136.86 43.43 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.895 -1.15 . . . . 66.32 107.895 177.802 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 11.4 t -114.65 145.42 20.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 107.269 -1.382 . . . . 69.0 107.269 167.935 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 97' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -122.71 86.17 2.54 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 107.443 -1.317 . . . . 62.41 107.443 -176.502 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 98' ' ' LYS . . . . . . . . . . . . . . . -61.8 139.98 58.29 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 116.241 -0.436 . . . . 64.38 110.335 177.644 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . 160.46 -156.23 27.49 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.363 -0.695 . . . . 66.58 111.363 -177.796 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 100' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -73.52 -14.4 61.21 Favored 'General case' 0 C--O 1.239 0.517 0 N-CA-C 113.243 0.831 . . . . 80.81 113.243 -168.826 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 101' ' ' LYS . . . . . 0.554 ' HG2' ' SG ' ' C' ' 121' ' ' CYS . 10.4 tptt -109.88 117.04 32.78 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.452 -0.944 . . . . 61.07 108.452 -173.96 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 102' ' ' GLU . . . . . . . . . . . . . . . -59.33 139.9 56.58 Favored 'General case' 0 N--CA 1.455 -0.207 0 O-C-N 123.749 0.656 . . . . 61.05 110.591 -179.621 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 103' ' ' ASN . . . . . . . . . . . . . 35.8 t30 61.78 44.07 8.99 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.685 -0.689 . . . . 71.19 111.435 169.732 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 104' ' ' ARG . . . . . 0.442 ' NH2' HD22 ' B' ' 23' ' ' LEU . 4.4 ttm-85 -102.51 130.48 49.34 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 108.83 -0.804 . . . . 66.98 108.83 179.096 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 105' ' ' GLY . . . . . . . . . . . . . . . 173.89 -175.53 46.45 Favored Glycine 0 C--O 1.229 -0.167 0 N-CA-C 109.946 -1.262 . . . . 52.23 109.946 179.446 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 106' ' ' TRP . . . . . . . . . . . . . 36.9 p-90 -151.36 164.13 37.39 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 118.37 -1.332 . . . . 63.22 110.585 177.431 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 107' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -135.12 138.61 43.93 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 114.833 -1.076 . . . . 66.79 108.226 -176.075 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 108' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -146.58 130.88 17.52 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.205 -0.665 . . . . 61.03 109.205 -169.197 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 109' ' ' TRP . . . . . 0.618 ' HB3' HG13 ' C' ' 92' ' ' VAL . 21.6 p90 -162.21 162.73 28.41 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 120.242 -0.583 . . . . 70.7 109.726 -179.763 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 110' ' ' ILE . . . . . 0.5 HD11 ' HA ' ' B' ' 4' ' ' PHE . 82.4 mt -104.97 143.52 16.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 108.599 -0.889 . . . . 71.19 108.599 176.649 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . . . -121.34 89.07 3.05 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 105.105 -2.183 . . . . 81.76 105.105 171.358 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . 45.17 -94.58 0.01 OUTLIER Glycine 0 C--N 1.338 0.691 0 CA-C-N 114.883 -1.053 . . . . 86.91 111.991 -175.894 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 113' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -57.43 -47.1 82.67 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.646 -0.277 . . . . 83.67 111.42 -176.261 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 114' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -124.99 157.74 35.39 Favored 'General case' 0 CA--C 1.521 -0.169 0 C-N-CA 118.836 -1.146 . . . . 76.98 112.101 -155.766 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 115' ' ' LEU . . . . . 0.453 HD12 ' H ' ' C' ' 116' ' ' TYR . 20.9 tp -99.22 140.67 33.04 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 114.908 -1.042 . . . . 69.09 109.722 177.198 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 116' ' ' TYR . . . . . 0.453 ' H ' HD12 ' C' ' 115' ' ' LEU . 48.6 m-85 -125.05 128.53 48.65 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 107.898 -1.149 . . . . 67.12 107.898 -172.215 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 117' ' ' LEU . . . . . . . . . . . . . 29.7 tp -126.39 136.55 52.84 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 108.463 -0.939 . . . . 60.61 108.463 178.309 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -138.89 109.44 6.58 Favored 'General case' 0 C--O 1.238 0.483 0 N-CA-C 107.382 -1.34 . . . . 68.59 107.382 179.566 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 119' ' ' LEU . . . . . . . . . . . . . 3.0 mt -97.34 135.21 39.56 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.698 -0.482 . . . . 56.59 109.698 176.312 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 120' ' ' THR . . . . . . . . . . . . . 19.3 m -122.13 133.03 54.76 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 109.108 -0.701 . . . . 54.24 109.108 -178.327 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 121' ' ' CYS . . . . . 0.554 ' SG ' ' HG2' ' C' ' 101' ' ' LYS . 9.5 t -134.91 129.72 34.78 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 108.209 -1.034 . . . . 55.82 108.209 165.005 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 122' ' ' GLY . . . . . . . . . . . . . . . 51.23 -135.8 31.39 Favored Glycine 0 C--N 1.332 0.348 0 C-N-CA 118.74 -1.695 . . . . 56.38 110.159 -171.423 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 123' ' ' ASP . . . . . . . . . . . . . 52.1 p-10 -89.98 5.18 47.65 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 112.958 0.725 . . . . 72.27 112.958 176.264 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 124' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -92.56 138.15 31.75 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 123.713 0.805 . . . . 63.3 111.241 -177.776 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 2.3 t -126.76 142.55 42.95 Favored 'Isoleucine or valine' 0 C--O 1.237 0.395 0 CA-C-N 116.102 -0.499 . . . . 64.25 109.772 179.456 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 126' ' ' CYS . . . . . . . . . . . . . 6.2 t -117.97 132.59 56.38 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 108.472 -0.936 . . . . 55.55 108.472 171.229 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 127' ' ' ARG . . . . . . . . . . . . . 3.6 mtm105 -124.34 120.98 33.71 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 109.922 -0.399 . . . . 67.24 109.922 -169.61 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 128' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -126.72 154.68 43.82 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 123.87 0.868 . . . . 56.85 110.979 -175.718 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 129' ' ' VAL . . . . . . . . . . . . . 19.6 t -142.54 130.38 20.1 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 N-CA-C 108.327 -0.99 . . . . 53.62 108.327 -172.974 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 130' ' ' PHE . . . . . 0.476 ' CE1' ' HB2' ' B' ' 10' ' ' MET . 10.4 m-85 -126.26 137.14 53.49 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.884 -0.413 . . . . 62.01 109.884 -177.332 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 131' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -94.85 139.51 31.19 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 122.78 0.432 . . . . 82.64 110.158 170.38 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 132' ' ' LYS . . . . . 0.642 ' HB2' ' CZ3' ' B' ' 8' ' ' TRP . 24.6 tttt -76.54 140.86 41.29 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 109.452 -0.573 . . . . 66.17 109.452 177.935 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 133' ' ' LYS . . . . . . . . . . . . . 21.1 tttm . . . . . 0 CA--C 1.531 0.224 0 CA-C-N 115.561 -0.745 . . . . 76.22 110.806 -177.399 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 201' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 202' ' ' GOL . . . . . 0.55 ' O1 ' ' SD ' ' B' ' 10' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 202' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 203' ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 301' ' ' HOH . . . . . 0.71 ' O ' ' OE2' ' C' ' 72' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 302' ' ' HOH . . . . . 0.442 ' O ' HG23 ' B' ' 29' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' THR . . . . . 0.493 HG22 ' H ' ' A' ' 3' ' ' ASP . 2.7 m . . . . . 0 C--O 1.235 0.304 0 CA-C-O 120.906 0.384 . . . . 96.8 111.756 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -113.83 39.39 2.7 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.693 -0.685 . . . . 78.68 111.301 176.147 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.493 ' H ' HG22 ' A' ' 1' ' ' THR . 40.3 t0 -117.69 112.76 20.92 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 108.44 -0.948 . . . . 80.53 108.44 176.064 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -107.18 8.03 29.83 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.702 0.631 . . . . 71.64 112.702 -176.364 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -61.38 141.37 57.67 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 119.663 -0.815 . . . . 73.95 110.631 -173.196 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 135.74 -170.59 23.04 Favored Glycine 0 N--CA 1.442 -0.951 0 CA-C-O 122.531 1.073 . . . . 72.77 112.618 168.862 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.8 m -113.36 123.2 49.55 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 107.511 -1.292 . . . . 67.67 107.511 -177.311 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.495 ' HB3' ' HB3' ' B' ' 130' ' ' PHE . 76.8 m95 -122.92 116.18 23.18 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 109.137 -0.69 . . . . 70.72 109.137 -168.389 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.549 ' OE2' ' HE2' ' B' ' 131' ' ' LYS . 45.6 mt-10 -96.1 118.97 33.75 Favored 'General case' 0 C--N 1.345 0.392 0 O-C-N 124.076 0.86 . . . . 87.47 110.166 -175.856 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 37.2 ttm -55.09 146.62 17.88 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 121.546 0.689 . . . . 56.66 110.607 176.156 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -138.62 -7.06 1.48 Allowed 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 125.603 1.561 . . . . 82.51 112.843 174.257 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t -155.07 144.6 21.29 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 119.55 1.068 . . . . 61.16 109.058 179.44 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -156.48 92.18 1.29 Allowed 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 107.86 -1.163 . . . . 62.62 107.86 -174.792 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . . . -93.75 136.59 33.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.0 -0.545 . . . . 49.81 111.138 175.146 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 45.1 t30 56.0 39.3 30.52 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 124.797 1.239 . . . . 60.29 113.315 174.349 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -59.58 -37.79 79.44 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 119.158 -1.017 . . . . 60.49 110.351 169.416 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.649 ' OE1' ' NH1' ' A' ' 30' ' ' ARG . 40.9 tt0 -79.12 -35.18 42.63 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 118.353 -1.339 . . . . 78.5 112.196 -171.282 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -55.3 -44.2 84.53 Favored Glycine 0 C--O 1.243 0.664 0 C-N-CA 119.314 -1.422 . . . . 54.81 112.114 168.781 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -62.36 -38.34 89.16 Favored 'General case' 0 C--O 1.236 0.353 0 O-C-N 122.28 -0.541 . . . . 61.12 110.955 178.314 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' MET . . . . . 0.47 ' HG2' HD12 ' A' ' 25' ' ' ILE . 5.2 mtm -74.76 -40.76 61.02 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 119.187 -1.005 . . . . 56.19 111.949 -178.259 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.2 mtpt -60.24 -40.03 88.8 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.311 -0.556 . . . . 65.48 110.662 176.24 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.55 -26.86 68.89 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 119.933 -0.707 . . . . 56.13 112.419 179.402 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.9 mt -82.32 1.12 38.47 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 113.343 0.868 . . . . 56.16 113.343 172.146 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 64.41 36.76 8.72 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.206 1.002 . . . . 65.26 111.673 179.146 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.47 HD12 ' HG2' ' A' ' 20' ' ' MET . 31.1 mt -79.65 138.65 19.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.267 -0.642 . . . . 55.21 109.267 -178.221 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.21 160.81 14.82 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 118.965 -1.094 . . . . 69.47 110.995 -170.452 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -57.85 -45.34 86.39 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-N 115.174 -0.921 . . . . 57.6 111.411 -174.843 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.94 -44.07 86.16 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 119.976 -0.69 . . . . 48.56 111.228 -172.042 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.8 m -60.37 -42.15 95.22 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 119.758 -0.777 . . . . 56.04 110.52 174.429 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.649 ' NH1' ' OE1' ' A' ' 17' ' ' GLU . 61.9 mtm-85 -55.82 -30.18 60.98 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 119.758 -0.777 . . . . 52.57 111.651 176.968 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.6 mmtt -86.56 -24.91 25.28 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 119.786 -0.765 . . . . 56.51 111.531 178.109 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 89.5 mt -69.04 -72.45 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.561 0 N-CA-C 106.621 -1.622 . . . . 53.86 106.621 176.763 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.666 ' O ' ' HB ' ' A' ' 34' ' ' VAL . . . -67.38 127.26 32.02 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 109.361 -0.607 . . . . 66.12 109.361 171.277 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.666 ' HB ' ' O ' ' A' ' 33' ' ' ALA . 1.6 p 130.6 -28.97 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 N-CA-C 105.669 -1.974 . . . . 53.18 105.669 -165.033 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.2 mtp85 -97.18 4.67 51.02 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.315 -0.554 . . . . 62.55 112.448 168.265 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.0 mt -105.03 144.01 32.43 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 118.586 0.63 . . . . 48.33 110.888 -168.39 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.8 m -101.68 155.2 18.26 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 107.005 -1.48 . . . . 58.47 107.005 163.431 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -133.12 129.65 38.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.811 -0.631 . . . . 56.79 109.627 -169.0 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.7 m -121.88 118.18 28.29 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 108.393 -0.965 . . . . 64.62 108.393 171.214 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -97.09 130.1 44.42 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 122.962 0.505 . . . . 73.13 110.468 -177.679 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 51' ' ' THR . 2.3 t -100.51 125.2 54.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 N-CA-C 108.213 -1.032 . . . . 63.25 108.213 173.878 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.843 HG12 HG22 ' A' ' 51' ' ' THR . 69.7 mt -126.65 119.21 52.96 Favored 'Isoleucine or valine' 0 C--O 1.241 0.616 0 N-CA-C 109.114 -0.699 . . . . 66.58 109.114 -177.826 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -108.55 107.93 18.63 Favored 'General case' 0 C--O 1.241 0.628 0 N-CA-C 107.646 -1.242 . . . . 80.62 107.646 172.176 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.432 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 28.1 tt0 -114.88 130.97 57.0 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.251 -0.431 . . . . 74.86 110.779 -178.851 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.94 103.88 9.14 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.232 -1.396 . . . . 86.75 107.232 170.346 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 55.78 -105.04 0.38 Allowed Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.7 -0.762 . . . . 67.62 111.779 -172.182 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -109.2 -0.91 19.04 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 112.749 0.648 . . . . 70.34 112.749 -179.08 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -86.0 131.11 34.35 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.883 -0.784 . . . . 74.32 108.883 174.174 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.432 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 22.6 m-85 -128.22 137.9 52.22 Favored 'General case' 0 CA--C 1.518 -0.286 0 C-N-CA 122.846 0.458 . . . . 59.78 111.074 -174.409 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.2 mttm -129.44 126.27 38.36 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 108.926 -0.768 . . . . 71.04 108.926 165.11 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' THR . . . . . 0.843 HG22 HG12 ' A' ' 42' ' ' ILE . 36.3 p -120.7 134.7 55.27 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.508 -0.923 . . . . 71.0 108.508 -179.698 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -111.29 -31.41 7.07 Favored 'General case' 0 C--O 1.226 -0.17 0 N-CA-C 115.851 1.797 . . . . 88.17 115.851 -175.236 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 54.68 117.48 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 116.634 2.087 . . . . 70.53 116.634 166.119 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' THR . . . . . 0.488 HG22 ' CG ' ' B' ' 59' ' ' ASN . 40.4 p -133.13 154.59 50.45 Favored 'General case' 0 N--CA 1.451 -0.395 0 O-C-N 121.438 -0.788 . . . . 64.75 109.116 -178.51 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.7 m -125.87 144.21 50.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.988 -0.551 . . . . 63.31 110.503 -176.621 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.9 t -138.57 157.8 45.47 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 107.644 -1.243 . . . . 66.19 107.644 -179.745 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -74.54 132.98 42.29 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 119.245 -0.982 . . . . 62.05 109.734 179.725 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . . . -71.69 143.21 49.76 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.521 0.677 . . . . 73.66 111.881 -169.152 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -80.25 161.22 25.27 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-O 122.4 1.095 . . . . 59.11 110.657 -179.74 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -139.45 119.05 13.06 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.146 -1.427 . . . . 62.77 107.146 -172.364 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -107.97 131.98 53.98 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 123.159 0.583 . . . . 73.06 109.846 -174.731 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 5.0 t -128.67 120.56 52.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.496 0 N-CA-C 106.569 -1.641 . . . . 74.26 106.569 169.975 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -125.62 136.78 53.63 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.699 -0.852 . . . . 94.54 108.699 172.498 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -152.81 172.02 17.37 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 108.918 -0.771 . . . . 74.47 108.918 -177.202 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' THR . . . . . 0.438 ' HA ' ' O ' ' C' ' 47' ' ' ASP . 4.0 p -129.02 137.72 51.49 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 108.409 -0.96 . . . . 80.88 108.409 171.9 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.433 HG11 ' CD1' ' A' ' 88' ' ' TRP . 60.6 t -68.2 142.38 16.43 Favored 'Isoleucine or valine' 0 C--O 1.238 0.497 0 CA-C-O 121.644 0.735 . . . . 66.45 110.725 -167.177 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 77.02 1.77 75.02 Favored Glycine 0 N--CA 1.44 -1.073 0 N-CA-C 115.181 0.832 . . . . 73.5 115.181 178.807 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.4 t -119.72 128.37 75.9 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-N 118.714 1.257 . . . . 61.97 107.783 172.881 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . . . -53.39 160.72 1.11 Allowed 'General case' 0 C--O 1.234 0.24 0 O-C-N 123.591 0.557 . . . . 74.67 110.695 175.195 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -161.41 164.94 29.55 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.004 -1.11 . . . . 71.8 108.004 169.329 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -96.25 107.98 20.41 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.738 -0.664 . . . . 74.3 109.977 -174.975 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -89.24 132.51 34.85 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 105.516 -2.031 . . . . 73.41 105.516 169.161 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.425 ' CD1' ' HG3' ' A' ' 75' ' ' LYS . 64.6 t80 -113.03 112.29 23.62 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 104.952 -2.24 . . . . 86.29 104.952 164.255 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' THR . . . . . 0.45 HG21 ' NH2' ' A' ' 104' ' ' ARG . 81.4 p -83.5 65.96 8.67 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 123.076 1.417 . . . . 61.81 109.723 -163.558 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.425 ' HG3' ' CD1' ' A' ' 73' ' ' TYR . 35.8 mtmt -64.59 173.15 2.28 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 118.298 -1.361 . . . . 79.63 108.53 161.265 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 52.6 p 61.71 -4.01 0.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.265 -0.879 . . . . 64.06 112.608 -170.038 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.419 ' HA ' HD23 ' A' ' 77' ' ' LEU . 22.3 mt -136.56 -98.95 0.21 Allowed 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 118.521 0.6 . . . . 56.18 110.869 174.605 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -106.46 -2.74 21.7 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 113.085 0.772 . . . . 56.78 113.085 -169.317 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.8 m-20 61.98 41.08 11.62 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 118.41 0.55 . . . . 71.09 111.616 176.349 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 58.4 mtt85 -109.85 156.88 19.81 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 120.054 -0.659 . . . . 59.91 110.285 179.089 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -88.71 129.42 35.54 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 115.237 -0.892 . . . . 77.03 109.994 169.547 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.1 m -137.21 152.21 27.65 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 N-CA-C 108.22 -1.03 . . . . 67.9 108.22 174.152 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -100.58 113.76 26.85 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 106.801 -1.555 . . . . 76.92 106.801 170.149 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -101.38 143.01 31.94 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.589 -0.732 . . . . 64.73 109.191 -173.391 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 30.2 tp -136.28 125.45 24.6 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 108.647 -0.872 . . . . 66.82 108.647 171.894 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.573 HG22 ' HB2' ' A' ' 95' ' ' CYS . 43.3 t -108.61 118.46 56.25 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 N-CA-C 107.598 -1.26 . . . . 60.28 107.598 -177.646 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 32.3 p -114.72 169.85 8.76 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 125.642 1.577 . . . . 62.15 108.908 177.109 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.433 ' CD1' HG11 ' A' ' 66' ' ' VAL . 84.8 m95 -100.24 152.11 20.67 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.437 0.637 . . . . 70.7 109.316 175.073 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -140.86 97.18 3.14 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 103.796 -2.668 . . . . 71.22 103.796 167.809 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 58.04 -115.58 7.13 Favored Glycine 0 N--CA 1.444 -0.807 0 N-CA-C 107.6 -2.2 . . . . 62.39 107.6 -166.6 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.501 ' HB3' ' O ' ' C' ' 1' ' ' THR . 48.5 m-20 -108.41 18.98 20.38 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 112.72 0.637 . . . . 79.59 112.72 -178.948 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 41.2 t -107.41 116.85 51.92 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 N-CA-C 108.316 -0.994 . . . . 61.99 108.316 -176.748 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -64.41 121.97 15.63 Favored 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 108.709 -0.849 . . . . 66.9 108.709 165.503 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 79.5 t -117.92 126.06 74.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 107.599 -1.26 . . . . 60.46 107.599 173.4 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.573 ' HB2' HG22 ' A' ' 86' ' ' VAL . 1.4 t -127.88 140.26 52.12 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 107.481 -1.303 . . . . 65.68 107.481 -174.571 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 85.7 t -115.76 135.03 57.15 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 N-CA-C 107.171 -1.418 . . . . 64.16 107.171 174.427 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -112.54 88.11 2.74 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 105.597 -2.001 . . . . 67.05 105.597 178.556 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.5 ttmm -69.52 143.97 53.28 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-O 122.012 0.91 . . . . 82.51 109.275 176.959 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 157.52 -148.65 18.51 Favored Glycine 0 N--CA 1.432 -1.577 0 N-CA-C 107.236 -2.345 . . . . 60.99 107.236 -163.404 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -78.54 -43.25 27.16 Favored 'General case' 0 CA--C 1.494 -1.195 0 C-N-CA 118.103 -1.439 . . . . 96.64 113.79 -172.272 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 101' ' ' LYS . 2.0 mmtp -76.73 126.64 31.33 Favored 'General case' 0 N--CA 1.437 -1.116 0 C-N-CA 118.124 -1.431 . . . . 65.76 107.728 -176.028 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -73.43 144.3 46.38 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 109.002 -0.74 . . . . 78.9 109.002 171.866 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 59.5 t30 57.39 47.22 16.91 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-O 121.883 0.849 . . . . 73.77 111.309 178.921 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.45 ' NH2' HG21 ' A' ' 74' ' ' THR . 37.7 ttt180 -110.63 124.34 51.71 Favored 'General case' 0 C--O 1.242 0.693 0 N-CA-C 108.711 -0.848 . . . . 64.17 108.711 176.709 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -171.89 -154.37 9.95 Favored Glycine 0 C--O 1.245 0.792 0 C-N-CA 120.81 -0.709 . . . . 54.84 111.785 172.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 19.6 p-90 -165.47 167.58 17.41 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 119.079 -1.048 . . . . 60.19 109.713 174.741 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -138.82 141.77 38.71 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 107.608 -1.256 . . . . 64.98 107.608 -178.182 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -144.82 131.02 19.5 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.783 -1.191 . . . . 77.25 107.783 -172.218 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 23.1 p90 -157.68 157.38 33.43 Favored 'General case' 0 N--CA 1.462 0.161 0 C-N-CA 119.136 -1.025 . . . . 60.61 110.95 178.833 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 6.7 mm -99.69 135.72 33.94 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.35 0 CA-C-N 114.996 -1.002 . . . . 66.36 108.306 178.38 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -134.77 86.88 2.29 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 106.209 -1.774 . . . . 73.52 106.209 173.483 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 80.49 -114.93 3.94 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.837 -0.619 . . . . 74.16 113.645 179.045 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.47 -5.37 58.28 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.581 0.586 . . . . 97.97 112.581 179.123 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 48.3 mttp -120.58 148.8 43.4 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.867 0.842 . . . . 70.93 111.808 -168.9 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.2 tt -105.74 135.16 47.67 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.412 -1.267 . . . . 65.7 107.805 172.44 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -117.44 137.34 52.57 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 107.855 -1.165 . . . . 59.86 107.855 -177.996 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 37.1 tp -139.36 118.9 12.99 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 108.193 -1.039 . . . . 54.07 108.193 -178.9 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -112.65 113.42 25.55 Favored 'General case' 0 C--O 1.24 0.603 0 N-CA-C 108.197 -1.038 . . . . 68.87 108.197 174.372 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.7 mt -95.51 129.63 42.61 Favored 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 108.102 -1.073 . . . . 59.48 108.102 178.211 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 17.2 m -124.89 137.11 54.29 Favored 'General case' 0 C--O 1.243 0.747 0 C-N-CA 120.766 -0.374 . . . . 51.58 111.048 -175.622 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 43.2 t -144.09 111.89 6.16 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 107.427 -1.323 . . . . 58.62 107.427 169.337 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 58.22 -126.47 42.49 Favored Glycine 0 C--N 1.338 0.64 0 N-CA-C 111.185 -0.766 . . . . 57.84 111.185 -176.763 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 26.9 p-10 -81.86 -3.94 55.3 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 113.237 0.828 . . . . 73.36 113.237 -177.69 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 -105.84 131.52 53.07 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-N 119.071 0.851 . . . . 59.98 110.525 -169.704 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 25.4 t -126.49 135.44 63.74 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 N-CA-C 108.325 -0.991 . . . . 52.23 108.325 179.934 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 5.6 t -120.81 124.51 45.23 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 124.817 1.247 . . . . 44.85 109.382 -179.546 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 43.5 mtt-85 -113.61 118.03 33.25 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.937 -0.394 . . . . 50.02 109.937 -172.946 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.433 ' HB3' ' HE2' ' C' ' 10' ' ' MET . 25.6 mt-30 -120.51 146.99 45.73 Favored 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 123.501 0.5 . . . . 45.29 110.364 -178.694 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 45.2 t -131.35 137.46 55.42 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 N-CA-C 108.876 -0.787 . . . . 55.69 108.876 -177.078 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.453 ' HB3' ' HB3' ' C' ' 8' ' ' TRP . 45.3 m-85 -128.51 131.06 48.29 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.238 0.615 . . . . 71.26 110.459 -175.516 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -90.94 129.91 36.92 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 109.492 -0.559 . . . . 84.63 109.492 173.221 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.614 ' HB2' ' CZ3' ' C' ' 8' ' ' TRP . 21.9 tttt -74.06 121.82 21.7 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.343 -0.614 . . . . 78.45 109.343 178.209 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 2.6 tppt? . . . . . 0 C--O 1.24 0.556 0 C-N-CA 119.65 -0.82 . . . . 97.32 109.046 172.501 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' THR . . . . . 0.578 ' O ' ' HB3' ' C' ' 91' ' ' ASP . 90.2 m . . . . . 0 CA--C 1.54 0.594 0 N-CA-C 115.289 1.588 . . . . 103.77 115.289 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.448 ' HG2' ' CH2' ' C' ' 88' ' ' TRP . 5.8 ttm180 -127.78 9.76 6.46 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 112.839 0.681 . . . . 102.09 112.839 176.391 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -132.95 135.84 45.75 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 119.023 0.829 . . . . 87.21 111.755 179.336 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.5 ' HA ' HD11 ' C' ' 110' ' ' ILE . 2.1 m-85 -115.5 12.45 16.21 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 125.491 1.516 . . . . 80.23 113.322 -165.622 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' ASN . . . . . 0.418 ' OD1' ' N ' ' B' ' 44' ' ' GLN . 1.5 m120 -60.43 130.03 44.58 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 119.113 0.869 . . . . 73.59 110.623 -171.457 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 141.71 -177.19 21.46 Favored Glycine 0 N--CA 1.442 -0.929 0 CA-C-N 115.45 -0.795 . . . . 66.89 112.903 178.111 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' THR . . . . . 0.815 HG22 HG12 ' B' ' 41' ' ' VAL . 6.4 p -109.71 120.36 42.23 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 108.24 -1.022 . . . . 84.51 108.24 177.09 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' TRP . . . . . 0.642 ' CZ3' ' HB2' ' C' ' 132' ' ' LYS . 96.0 m95 -107.48 120.81 43.21 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 124.251 1.02 . . . . 70.6 109.76 -171.691 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.538 ' HA ' HG22 ' B' ' 39' ' ' THR . 78.6 tt0 -101.28 124.63 47.28 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 123.928 0.891 . . . . 92.89 110.17 -179.788 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' MET . . . . . 0.583 ' HE3' ' HD2' ' B' ' 38' ' ' PHE . 0.5 OUTLIER -74.93 135.17 41.44 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 116.503 -0.317 . . . . 59.18 111.427 -172.992 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.406 ' N ' ' HG2' ' B' ' 10' ' ' MET . 16.3 pt-20 -117.67 -12.27 10.31 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 115.107 1.521 . . . . 81.61 115.107 179.303 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 5.1 p -154.35 153.91 32.43 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 107.219 -1.4 . . . . 48.65 107.219 178.669 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.505 ' HB2' ' HE2' ' B' ' 10' ' ' MET . 48.0 t30 -163.86 98.24 0.86 Allowed 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 109.703 -0.48 . . . . 49.78 109.703 -171.983 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -104.27 140.55 37.7 Favored 'General case' 0 N--CA 1.457 -0.082 0 O-C-N 123.423 0.452 . . . . 81.08 111.515 -170.78 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 55.8 t30 59.03 27.99 17.11 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 112.856 0.687 . . . . 54.68 112.856 173.428 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -57.63 -45.44 85.41 Favored 'General case' 0 C--O 1.246 0.886 0 C-N-CA 120.448 -0.501 . . . . 56.32 111.244 175.774 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -67.56 -30.9 70.65 Favored 'General case' 0 CA--C 1.512 -0.492 0 C-N-CA 119.934 -0.706 . . . . 62.05 111.389 179.742 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -66.1 -46.67 78.82 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 118.924 -1.608 . . . . 45.95 111.128 175.988 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -55.46 -44.52 76.49 Favored 'General case' 0 N--CA 1.451 -0.394 0 O-C-N 122.586 -0.361 . . . . 57.11 110.24 177.71 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' MET . . . . . 0.759 ' HE2' ' HG2' ' B' ' 30' ' ' ARG . 76.7 mtp -74.07 -31.33 62.81 Favored 'General case' 0 C--N 1.344 0.336 0 C-N-CA 119.411 -0.915 . . . . 64.56 112.054 -176.301 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 38.8 mttt -68.52 -26.28 65.36 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 118.282 -1.367 . . . . 78.61 110.422 174.077 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.41 -26.25 61.79 Favored 'General case' 0 C--O 1.242 0.674 0 C-N-CA 118.669 -1.212 . . . . 48.73 110.761 175.859 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.442 HD22 ' NH2' ' C' ' 104' ' ' ARG . 32.2 mt -87.0 10.07 17.56 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.86 0.689 . . . . 52.42 112.86 172.93 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.42 ' OD2' ' NZ ' ' C' ' 101' ' ' LYS . 9.8 m-20 60.26 17.13 6.72 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 118.8 0.727 . . . . 56.6 112.427 179.716 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 44.3 mt -61.2 136.88 24.29 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 O-C-N 121.599 -0.688 . . . . 53.4 110.251 -178.493 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -67.62 166.07 15.77 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 122.2 1.0 . . . . 53.38 110.975 -168.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.456 ' CE1' ' HE2' ' B' ' 31' ' ' LYS . 66.3 t80 -70.52 -39.63 73.95 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.04 -0.982 . . . . 64.64 112.005 -168.912 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.48 -54.07 45.46 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 121.629 -0.67 . . . . 49.24 111.058 179.4 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' THR . . . . . 0.511 ' HA ' HD12 ' B' ' 32' ' ' ILE . 1.6 m -50.31 -40.64 49.23 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 120.296 -0.562 . . . . 51.7 111.757 172.997 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' ARG . . . . . 0.759 ' HG2' ' HE2' ' B' ' 20' ' ' MET . 77.7 mtm-85 -64.29 -43.15 95.68 Favored 'General case' 0 C--O 1.245 0.849 0 C-N-CA 119.745 -0.782 . . . . 62.78 111.704 179.947 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.456 ' HE2' ' CE1' ' B' ' 27' ' ' PHE . 10.7 mmtm -62.33 -29.28 70.34 Favored 'General case' 0 C--O 1.241 0.615 0 C-N-CA 120.395 -0.522 . . . . 57.38 111.407 175.997 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.511 HD12 ' HA ' ' B' ' 29' ' ' THR . 20.5 mt -67.93 -50.04 63.09 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 C-N-CA 118.765 -1.174 . . . . 47.94 109.52 171.661 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.64 -44.76 90.17 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 116.15 -0.477 . . . . 52.45 111.354 -170.271 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 17.1 m -71.85 -5.04 5.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 N-CA-C 113.235 0.828 . . . . 60.34 113.235 -170.392 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 60.6 mtp85 -99.56 6.1 45.86 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 113.557 0.947 . . . . 64.27 113.557 174.756 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 20.5 mt -107.44 152.17 24.56 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 118.375 0.534 . . . . 53.2 110.975 -171.01 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 15.0 t -122.25 149.94 43.0 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 107.179 -1.415 . . . . 54.36 107.179 168.59 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' PHE . . . . . 0.583 ' HD2' ' HE3' ' B' ' 10' ' ' MET . 79.4 m-85 -117.6 150.92 38.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.343 0.592 . . . . 61.61 111.498 -171.748 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' THR . . . . . 0.538 HG22 ' HA ' ' B' ' 9' ' ' GLU . 76.7 p -139.34 114.26 9.42 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 107.574 -1.269 . . . . 65.14 107.574 169.638 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -96.2 140.69 30.53 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 123.437 0.695 . . . . 64.25 110.13 -176.473 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.815 HG12 HG22 ' B' ' 7' ' ' THR . 34.7 m -110.64 123.89 66.94 Favored 'Isoleucine or valine' 0 C--O 1.241 0.629 0 N-CA-C 107.513 -1.291 . . . . 70.23 107.513 179.08 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.542 HG12 HG22 ' B' ' 51' ' ' THR . 74.1 mt -127.83 122.59 59.1 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 N-CA-C 109.199 -0.667 . . . . 76.69 109.199 -169.288 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -122.97 133.1 54.39 Favored 'General case' 0 C--O 1.242 0.665 0 N-CA-C 109.0 -0.741 . . . . 87.2 109.0 170.003 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.423 HE22 ' H12' ' B' ' 201' ' ' GOL . 43.2 tt0 -120.01 131.44 55.14 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 108.293 -1.003 . . . . 78.69 108.293 -177.101 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -124.15 105.75 9.77 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 106.567 -1.642 . . . . 87.1 106.567 160.646 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 63.19 -127.5 38.03 Favored Glycine 0 C--N 1.334 0.43 0 N-CA-C 109.493 -1.443 . . . . 70.05 109.493 -176.235 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -85.31 1.03 50.15 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 118.784 -0.627 . . . . 68.48 112.346 176.771 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -87.19 123.1 31.85 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 123.752 0.821 . . . . 67.03 110.678 -175.837 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -119.59 130.26 55.03 Favored 'General case' 0 C--O 1.242 0.67 0 CA-C-N 116.099 -0.501 . . . . 63.68 111.459 -177.536 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . . . -114.3 123.07 48.61 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 107.344 -1.354 . . . . 69.21 107.344 164.986 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' THR . . . . . 0.542 HG22 HG12 ' B' ' 42' ' ' ILE . 32.0 p -135.85 134.97 39.4 Favored 'General case' 0 C--O 1.236 0.343 0 O-C-N 123.038 0.211 . . . . 69.63 110.71 178.772 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' LYS . . . . . 0.444 ' HD3' ' OD1' ' C' ' 61' ' ' ASP . 6.1 ttpp -126.92 124.61 39.93 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.55 0.531 . . . . 81.4 110.659 177.396 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.08 126.91 38.41 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 124.136 0.974 . . . . 68.6 111.056 -179.516 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 15.1 m -122.75 155.65 36.07 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 125.018 1.327 . . . . 71.28 108.906 -175.026 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.48 -106.52 0.36 Allowed 'General case' 0 C--O 1.251 1.179 0 N-CA-C 111.559 0.207 . . . . 76.11 111.559 -169.426 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 18.2 p 74.6 152.74 0.13 Allowed 'General case' 0 C--N 1.35 0.599 0 C-N-CA 128.295 2.638 . . . . 60.94 112.925 -160.486 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -85.22 147.92 26.34 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 122.108 0.956 . . . . 52.85 111.591 -174.762 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 6.3 tp -65.01 143.58 57.85 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 114.519 -1.219 . . . . 63.32 111.308 -178.416 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' ASN . . . . . 0.488 ' CG ' HG22 ' A' ' 54' ' ' THR . 73.8 m-20 -98.07 153.59 18.31 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.709 -0.678 . . . . 71.57 109.433 174.744 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -136.99 126.76 25.55 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 108.872 -0.788 . . . . 67.78 108.872 -169.539 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.411 ' HA ' ' O ' ' A' ' 51' ' ' THR . 2.9 m-20 -117.31 121.55 41.46 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 123.018 0.527 . . . . 81.36 110.819 -169.934 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 54.6 t -115.22 111.16 34.63 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 N-CA-C 106.43 -1.693 . . . . 65.34 106.43 178.154 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -111.89 145.37 39.63 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 110.254 -0.276 . . . . 65.43 110.254 177.907 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -169.99 156.61 6.17 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.41 0.624 . . . . 64.25 109.88 -176.649 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 89.5 m -106.27 144.36 33.07 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 107.631 -1.248 . . . . 60.93 107.631 166.005 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 t -66.4 134.39 29.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 N-CA-C 109.215 -0.661 . . . . 63.62 109.215 179.796 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 86.4 -9.65 69.71 Favored Glycine 0 N--CA 1.438 -1.179 0 N-CA-C 115.611 1.005 . . . . 67.98 115.611 -178.924 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 45.9 t -103.14 121.8 54.82 Favored 'Isoleucine or valine' 0 C--O 1.242 0.678 0 CA-C-N 119.179 1.489 . . . . 55.87 108.094 179.569 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 54.3 tt0 -64.42 143.84 57.61 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.441 -0.577 . . . . 67.2 109.441 175.926 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -150.49 152.07 33.67 Favored 'General case' 0 CA--C 1.517 -0.325 0 C-N-CA 118.277 -1.369 . . . . 56.06 109.653 177.012 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -76.6 117.76 18.56 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.368 -0.833 . . . . 71.68 109.076 173.183 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . . . -103.94 131.89 50.73 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 108.685 -0.857 . . . . 58.85 108.685 164.399 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -100.95 112.49 24.95 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 106.604 -1.628 . . . . 75.4 106.604 168.064 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 36.8 p -82.86 59.19 4.7 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 122.874 1.321 . . . . 59.55 111.396 -167.34 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -55.87 167.73 0.54 Allowed 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 118.605 -1.238 . . . . 71.42 107.761 158.073 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 8.6 p 73.55 -21.74 0.25 Allowed 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 113.105 0.78 . . . . 70.39 113.105 -175.413 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.6 mp -129.22 -89.14 0.51 Allowed 'General case' 0 C--O 1.234 0.28 0 C-N-CA 117.788 -1.565 . . . . 75.42 111.409 170.989 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -108.03 -3.71 18.48 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 114.349 1.24 . . . . 52.29 114.349 -168.728 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 60.24 45.84 10.98 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.123 0.874 . . . . 70.66 111.906 176.497 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 65.9 mtt85 -113.06 156.89 22.31 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 121.11 0.481 . . . . 56.05 109.839 175.27 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -93.67 136.72 33.66 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.127 -0.942 . . . . 70.54 109.687 173.439 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' VAL . . . . . . . . . . . . . 31.0 m -146.13 150.32 15.42 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 N-CA-C 109.171 -0.677 . . . . 55.5 109.171 -175.498 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? -91.71 99.21 12.15 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 107.762 -1.199 . . . . 75.91 107.762 170.765 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -91.43 133.46 35.45 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 108.714 -0.847 . . . . 57.09 108.714 -176.865 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 38.9 tp -134.85 128.51 32.82 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 108.754 -0.832 . . . . 58.27 108.754 176.46 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' VAL . . . . . 0.432 HG22 ' HB2' ' B' ' 95' ' ' CYS . 42.0 t -116.33 134.52 59.47 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 N-CA-C 108.742 -0.836 . . . . 59.96 108.742 -172.053 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 26.1 p -139.89 158.93 43.28 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 123.545 0.738 . . . . 61.31 110.1 -172.88 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -88.08 136.35 33.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.727 -0.67 . . . . 73.69 110.238 169.667 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -133.08 100.77 4.98 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 105.178 -2.156 . . . . 98.06 105.178 164.665 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . 64.32 -123.74 28.25 Favored Glycine 0 C--N 1.333 0.381 0 N-CA-C 109.805 -1.318 . . . . 69.45 109.805 -165.2 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' ASP . . . . . . . . . . . . . 26.6 p30 -105.76 21.25 17.58 Favored 'General case' 0 C--O 1.237 0.401 0 O-C-N 122.004 -0.703 . . . . 82.08 112.067 171.967 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' VAL . . . . . 0.47 HG22 ' HB3' ' B' ' 109' ' ' TRP . 63.5 t -104.26 117.53 49.98 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 N-CA-C 108.848 -0.797 . . . . 67.24 108.848 -178.544 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 26.5 mt -72.98 121.35 19.96 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 109.934 -0.395 . . . . 67.55 109.934 171.559 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 3.3 t -119.2 119.06 59.62 Favored 'Isoleucine or valine' 0 C--O 1.242 0.707 0 N-CA-C 108.047 -1.094 . . . . 62.99 108.047 -179.185 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' CYS . . . . . 0.432 ' HB2' HG22 ' B' ' 86' ' ' VAL . 41.2 t -109.37 138.93 45.0 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 108.179 -1.045 . . . . 52.75 108.179 175.96 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 2.3 t -116.71 125.64 73.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 106.722 -1.585 . . . . 57.6 106.722 170.192 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -101.81 85.93 2.81 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 107.131 -1.433 . . . . 57.15 107.131 178.229 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 27.2 tttm -63.15 136.79 57.97 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.186 -0.915 . . . . 65.99 110.07 178.664 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . 163.75 -149.1 16.01 Favored Glycine 0 CA--C 1.523 0.555 0 C-N-CA 118.567 -1.778 . . . . 63.12 111.595 178.762 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . . . -67.24 -30.32 70.19 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-N 114.162 -1.019 . . . . 61.96 112.698 -168.805 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -99.88 131.43 45.86 Favored 'General case' 0 C--O 1.238 0.468 0 N-CA-C 108.696 -0.853 . . . . 61.14 108.696 -178.656 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -82.06 147.68 28.99 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 120.146 -0.622 . . . . 81.62 110.617 -175.182 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 61.38 46.24 7.85 Favored 'General case' 0 N--CA 1.461 0.112 0 CA-C-N 115.011 -0.995 . . . . 79.85 111.003 174.802 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' ARG . . . . . . . . . . . . . 46.2 ttt180 -109.05 120.64 43.15 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.723 -0.671 . . . . 60.42 109.722 -173.476 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' GLY . . . . . . . . . . . . . . . -179.53 -162.96 29.54 Favored Glycine 0 C--N 1.33 0.204 0 C-N-CA 119.99 -1.1 . . . . 58.16 112.403 178.5 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' TRP . . . . . 0.506 ' CZ3' ' HE3' ' B' ' 108' ' ' LYS . 47.9 p-90 -164.72 145.04 7.54 Favored 'General case' 0 C--O 1.223 -0.315 0 C-N-CA 118.698 -1.201 . . . . 50.4 110.219 -178.443 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -116.85 151.5 36.43 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 123.386 0.674 . . . . 68.89 110.911 173.273 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' LYS . . . . . 0.506 ' HE3' ' CZ3' ' B' ' 106' ' ' TRP . 8.5 ttmt -146.24 135.53 22.84 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.577 -0.738 . . . . 61.17 109.104 -170.23 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' TRP . . . . . 0.47 ' HB3' HG22 ' B' ' 92' ' ' VAL . 21.8 p90 -165.14 154.52 12.75 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 118.372 -1.331 . . . . 67.87 111.455 -179.556 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 39.5 mt -102.1 132.63 47.69 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 CA-C-N 115.35 -0.841 . . . . 66.52 109.466 -174.726 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -133.47 119.15 19.21 Favored 'General case' 0 C--O 1.242 0.703 0 N-CA-C 106.886 -1.524 . . . . 75.76 106.886 177.888 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . 58.74 -115.3 7.01 Favored Glycine 0 N--CA 1.449 -0.457 0 N-CA-C 108.842 -1.703 . . . . 80.84 108.842 -169.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 37.3 p-10 -110.64 5.9 21.34 Favored 'General case' 0 C--O 1.239 0.509 0 N-CA-C 112.584 0.587 . . . . 90.96 112.584 -179.739 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' LYS . . . . . . . . . . . . . 18.9 mtmm -107.53 147.4 30.59 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-O 121.414 0.626 . . . . 80.95 111.331 -174.184 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.46 ' HB3' ' HB2' ' B' ' 130' ' ' PHE . 6.1 tt -100.45 138.61 37.28 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.501 -0.772 . . . . 62.66 110.287 174.072 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -120.82 129.91 53.75 Favored 'General case' 0 C--O 1.239 0.538 0 N-CA-C 108.243 -1.021 . . . . 72.1 108.243 -173.072 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 8.5 tp -130.58 128.73 41.66 Favored 'General case' 0 CA--C 1.521 -0.167 0 N-CA-C 109.516 -0.55 . . . . 58.96 109.516 -176.662 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -119.16 118.11 30.48 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 107.487 -1.301 . . . . 89.23 107.487 171.544 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 2.4 mt -104.16 125.38 50.43 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 107.294 -1.372 . . . . 60.45 107.294 176.502 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 120' ' ' THR . . . . . . . . . . . . . 22.2 m -122.97 140.17 53.3 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-O 121.256 0.551 . . . . 55.89 110.682 -175.261 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 121' ' ' CYS . . . . . . . . . . . . . 43.3 t -148.23 112.52 5.25 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 106.937 -1.505 . . . . 61.11 106.937 170.983 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 57.63 -134.74 52.24 Favored Glycine 0 C--O 1.237 0.318 0 C-N-CA 119.944 -1.122 . . . . 64.3 111.362 179.89 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.2 -19.18 43.14 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 113.15 0.796 . . . . 94.93 113.15 178.126 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 124' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 -103.05 140.58 37.11 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 113.584 0.957 . . . . 67.69 113.584 -158.406 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 96.7 t -133.22 118.94 33.91 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 CA-C-N 115.467 -0.788 . . . . 64.43 110.023 -179.03 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 126' ' ' CYS . . . . . . . . . . . . . 44.4 t -100.1 131.71 45.9 Favored 'General case' 0 C--O 1.241 0.618 0 N-CA-C 108.786 -0.82 . . . . 53.81 108.786 171.045 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . . . -120.06 119.0 32.09 Favored 'General case' 0 C--O 1.243 0.722 0 N-CA-C 107.855 -1.165 . . . . 54.45 107.855 -176.653 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -122.76 150.31 42.95 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 123.638 0.775 . . . . 61.33 109.969 -178.437 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 129' ' ' VAL . . . . . . . . . . . . . 3.0 t -132.67 140.14 48.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 C-N-CA 122.807 0.443 . . . . 62.04 110.162 177.836 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 130' ' ' PHE . . . . . 0.495 ' HB3' ' HB3' ' A' ' 8' ' ' TRP . 45.3 m-85 -122.47 153.3 39.32 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 124.944 1.297 . . . . 59.93 110.818 -175.905 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 131' ' ' LYS . . . . . 0.549 ' HE2' ' OE2' ' A' ' 9' ' ' GLU . 0.5 OUTLIER -111.97 142.76 43.98 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 125.209 1.403 . . . . 80.69 109.146 168.575 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -75.27 144.61 42.43 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 109.699 -0.482 . . . . 80.93 109.699 176.09 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.506 2.359 0 CA-C-O 122.885 1.326 . . . . 99.39 110.511 -169.602 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 1' ' ' THR . . . . . 0.501 ' O ' ' HB3' ' A' ' 91' ' ' ASP . 83.5 m . . . . . 0 CA--C 1.532 0.259 0 N-CA-C 110.256 -0.276 . . . . 99.63 110.256 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -107.13 4.57 26.98 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 113.023 0.749 . . . . 80.42 113.023 -175.789 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' ASP . . . . . 0.501 ' H ' HG22 ' C' ' 1' ' ' THR . 3.9 t70 -114.33 126.73 55.34 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 118.878 0.763 . . . . 94.25 110.48 -175.173 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -115.22 13.35 16.72 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 123.734 0.814 . . . . 72.53 112.86 -172.906 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -64.03 137.87 58.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 118.853 0.751 . . . . 87.8 110.718 -172.684 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' GLY . . . . . . . . . . . . . . . 138.89 171.09 12.03 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 119.412 -1.375 . . . . 63.98 113.821 174.011 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 12.8 p -98.15 124.72 42.84 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 107.093 -1.447 . . . . 71.07 107.093 172.566 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' TRP . . . . . 0.614 ' CZ3' ' HB2' ' A' ' 132' ' ' LYS . 72.2 m95 -116.55 127.14 54.25 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.464 -1.31 . . . . 68.64 107.464 -172.886 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -114.63 127.72 55.93 Favored 'General case' 0 C--O 1.241 0.617 0 N-CA-C 109.905 -0.406 . . . . 81.67 109.905 -175.009 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' MET . . . . . 0.433 ' HE2' ' HB3' ' A' ' 128' ' ' GLN . 40.9 ttm -60.77 151.55 29.28 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 121.856 0.836 . . . . 55.51 111.183 -171.95 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -134.35 -35.58 0.91 Allowed 'General case' 0 C--O 1.24 0.56 0 CA-C-N 115.126 -0.943 . . . . 76.34 109.909 -173.312 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 31.5 p -142.0 155.27 45.43 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 109.199 -0.667 . . . . 54.85 109.199 178.482 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -161.37 88.71 0.74 Allowed 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 108.339 -0.986 . . . . 53.31 108.339 -173.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -94.37 151.52 19.34 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.362 0.601 . . . . 76.01 110.75 -175.428 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 15' ' ' ASN . . . . . . . . . . . . . 64.5 t30 46.39 36.07 3.2 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.085 0.954 . . . . 51.41 112.6 178.524 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -67.34 -42.62 83.27 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 117.482 -1.687 . . . . 59.22 110.858 178.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.31 -31.71 72.67 Favored 'General case' 0 C--N 1.346 0.443 0 C-N-CA 119.522 -0.871 . . . . 80.87 111.122 -179.434 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . -66.11 -47.44 72.99 Favored Glycine 0 C--N 1.34 0.764 0 C-N-CA 119.938 -1.125 . . . . 54.88 112.276 177.022 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -54.88 -40.55 69.84 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 122.232 -0.569 . . . . 76.04 111.015 173.096 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 20' ' ' MET . . . . . 0.549 ' HG2' HD12 ' C' ' 25' ' ' ILE . 42.4 mtm -74.32 -27.21 60.6 Favored 'General case' 0 C--O 1.243 0.749 0 C-N-CA 118.934 -1.106 . . . . 63.67 111.721 -178.464 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 53.1 mttt -69.44 -44.36 71.43 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.53 -0.468 . . . . 66.15 110.755 174.546 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.34 -32.31 64.57 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 112.04 0.385 . . . . 60.18 112.04 175.127 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 47.7 mt -85.36 0.15 53.0 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 112.891 0.7 . . . . 60.89 112.891 -178.853 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 64.86 30.46 12.11 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.283 1.033 . . . . 74.3 112.415 178.773 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 25' ' ' ILE . . . . . 0.549 HD12 ' HG2' ' C' ' 20' ' ' MET . 39.4 mt -65.5 132.12 31.22 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 N-CA-C 108.953 -0.758 . . . . 66.83 108.953 176.768 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 26' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -61.23 153.63 25.7 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 121.403 0.62 . . . . 57.65 110.102 -179.033 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 27' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -57.3 -41.92 80.79 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 115.485 -0.78 . . . . 70.33 112.304 -168.298 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.47 -42.17 83.42 Favored 'General case' 0 C--O 1.243 0.755 0 C-N-CA 118.601 -1.24 . . . . 45.97 110.441 -174.212 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 29' ' ' THR . . . . . 0.409 ' HA ' HD12 ' C' ' 32' ' ' ILE . 24.9 m -61.14 -39.34 89.7 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 119.982 -0.687 . . . . 47.12 110.911 177.571 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 30' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -59.67 -46.47 88.96 Favored 'General case' 0 C--O 1.242 0.705 0 C-N-CA 119.466 -0.894 . . . . 58.46 110.069 176.327 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -66.79 -20.28 65.91 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.563 -0.455 . . . . 70.69 111.899 -177.176 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.409 HD12 ' HA ' ' C' ' 29' ' ' THR . 36.9 mt -79.41 -56.43 7.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 CA-C-O 121.422 0.63 . . . . 48.44 111.031 171.779 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.84 -43.17 85.7 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 116.163 -0.471 . . . . 50.3 111.931 -174.156 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 34' ' ' VAL . . . . . . . . . . . . . 5.5 p -61.79 -11.27 5.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 117.809 -1.556 . . . . 60.4 112.427 -176.879 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 35' ' ' ARG . . . . . 0.419 ' NH2' ' O ' ' C' ' 76' ' ' SER . 2.9 mtt-85 -96.19 13.62 26.77 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 113.57 0.952 . . . . 71.92 113.57 -179.501 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 20.6 mt -115.69 149.11 38.93 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 118.445 0.566 . . . . 50.77 110.884 -169.401 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 14.8 t -114.31 147.99 38.24 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 125.129 1.372 . . . . 51.5 108.251 164.401 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 38' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -122.29 145.09 48.57 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-O 121.029 0.443 . . . . 53.88 110.269 -169.086 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 99.4 m -125.37 130.59 52.22 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.373 -0.973 . . . . 62.76 108.373 167.231 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -109.82 118.45 36.52 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.837 -1.171 . . . . 72.89 107.837 -179.602 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 41' ' ' VAL . . . . . . . . . . . . . 2.7 m -96.35 122.31 47.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 N-CA-C 106.101 -1.814 . . . . 68.73 106.101 171.101 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 42' ' ' ILE . . . . . 0.664 HG12 HG22 ' C' ' 51' ' ' THR . 35.9 mt -118.04 131.36 71.02 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 N-CA-C 107.563 -1.273 . . . . 69.18 107.563 -176.173 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 43' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -122.71 130.63 53.16 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 124.158 0.983 . . . . 93.87 109.359 172.843 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 44' ' ' GLN . . . . . 0.41 ' HB3' ' H ' ' C' ' 45' ' ' ASP . 10.8 tt0 -126.49 -106.64 0.32 Allowed 'General case' 0 C--O 1.236 0.35 0 N-CA-C 115.498 1.666 . . . . 83.33 115.498 -168.917 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 45' ' ' ASP . . . . . 0.41 ' H ' ' HB3' ' C' ' 44' ' ' GLN . 6.0 t70 57.55 110.12 0.01 OUTLIER 'General case' 0 C--O 1.238 0.456 0 C-N-CA 124.06 0.944 . . . . 100.74 111.137 -165.428 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.61 -157.19 32.5 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-O 122.494 1.052 . . . . 83.58 111.823 -178.787 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 47' ' ' ASP . . . . . 0.438 ' O ' ' HA ' ' A' ' 65' ' ' THR . 90.5 m-20 -93.23 15.33 15.71 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 114.503 -0.848 . . . . 79.92 112.594 173.3 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 48' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -108.01 112.64 25.31 Favored 'General case' 0 C--O 1.24 0.574 0 N-CA-C 108.786 -0.82 . . . . 80.89 108.786 -177.856 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 49' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -110.07 140.5 44.06 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 124.853 1.261 . . . . 71.34 110.45 -173.521 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 5.3 tttm -130.72 116.03 17.47 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 107.914 -1.143 . . . . 76.07 107.914 170.091 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 51' ' ' THR . . . . . 0.664 HG22 HG12 ' C' ' 42' ' ' ILE . 71.4 p -117.97 128.57 54.93 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 109.19 -0.67 . . . . 78.99 109.19 -176.172 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 52' ' ' LYS . . . . . . . . . . . . . . . -114.26 115.73 27.89 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 106.616 -1.624 . . . . 65.19 106.616 168.44 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -98.47 124.74 43.36 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 108.416 -0.957 . . . . 63.9 108.416 174.906 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 2.6 p -121.49 150.13 42.04 Favored 'General case' 0 CA--C 1.519 -0.212 0 C-N-CA 124.925 1.29 . . . . 62.82 109.209 178.445 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 3.7 p -125.73 148.92 48.91 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.885 -0.783 . . . . 51.84 108.885 -177.371 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 71.9 p -139.81 167.54 21.87 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 122.045 0.926 . . . . 51.09 108.92 165.781 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 57' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -73.65 135.14 43.75 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 119.525 -0.87 . . . . 50.37 110.125 -179.509 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 44.7 tp -68.62 136.15 52.56 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.35 -0.841 . . . . 55.95 109.185 -175.119 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -64.31 165.17 9.97 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 122.474 1.13 . . . . 63.05 111.205 168.327 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 60' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -140.79 113.38 8.13 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 105.678 -1.971 . . . . 77.78 105.678 -176.528 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 61' ' ' ASP . . . . . 0.444 ' OD1' ' HD3' ' B' ' 52' ' ' LYS . 2.1 m-20 -100.69 132.71 45.95 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-O 120.593 0.235 . . . . 87.43 111.085 -170.673 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 62' ' ' VAL . . . . . . . . . . . . . 19.7 t -132.43 121.63 46.02 Favored 'Isoleucine or valine' 0 C--O 1.241 0.621 0 N-CA-C 108.301 -1.0 . . . . 67.55 108.301 169.053 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -123.43 139.77 53.68 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 125.328 1.451 . . . . 72.31 108.739 -178.269 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 64' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -160.28 172.46 17.33 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 118.784 -1.166 . . . . 67.19 109.673 -177.201 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 65' ' ' THR . . . . . 0.462 ' O ' HG22 ' C' ' 68' ' ' VAL . 73.6 m -123.55 142.09 51.36 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 114.97 -1.014 . . . . 68.66 108.853 162.511 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 66' ' ' VAL . . . . . 0.615 HG11 ' CD1' ' C' ' 88' ' ' TRP . 59.9 t -62.32 108.94 0.58 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.415 0 N-CA-C 108.731 -0.84 . . . . 71.51 108.731 -176.055 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 122.96 -26.09 6.25 Favored Glycine 0 C--N 1.335 0.514 0 CA-C-O 119.542 -0.588 . . . . 69.62 114.404 176.737 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 68' ' ' VAL . . . . . 0.462 HG22 ' O ' ' C' ' 65' ' ' THR . 29.6 m -92.52 117.52 36.06 Favored 'Isoleucine or valine' 0 C--O 1.24 0.605 0 CA-C-N 117.882 0.841 . . . . 69.21 110.149 -172.658 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -59.39 146.04 41.36 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 116.042 -0.526 . . . . 73.56 109.795 177.627 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 70' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -154.85 144.19 21.21 Favored 'General case' 0 CA--C 1.515 -0.377 0 C-N-CA 119.524 -0.87 . . . . 70.52 109.547 177.263 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -78.7 136.66 37.49 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 119.625 -0.83 . . . . 79.08 110.497 177.207 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 72' ' ' GLU . . . . . 0.71 ' OE2' ' O ' ' C' ' 301' ' ' HOH . 3.6 tt0 -114.16 133.97 55.22 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 125.5 1.52 . . . . 76.93 107.265 177.299 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 73' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -108.12 93.35 4.48 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 106.229 -1.767 . . . . 57.84 106.229 168.098 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 74' ' ' THR . . . . . 0.551 ' CG2' ' H ' ' C' ' 80' ' ' ARG . 8.5 t -63.11 89.08 0.03 OUTLIER 'General case' 0 C--O 1.251 1.147 0 N-CA-C 107.895 -1.15 . . . . 75.56 107.895 -174.682 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 75' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -85.92 -42.92 13.65 Favored 'General case' 0 CA--C 1.508 -0.661 0 C-N-CA 127.802 2.441 . . . . 85.01 110.952 -171.577 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 76' ' ' SER . . . . . 0.419 ' O ' ' NH2' ' C' ' 35' ' ' ARG . 1.2 t -71.04 -12.76 61.7 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 125.215 1.406 . . . . 78.32 112.225 -178.875 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 22.2 mt -126.01 -102.49 0.36 Allowed 'General case' 0 C--O 1.234 0.271 0 C-N-CA 123.38 0.672 . . . . 52.85 112.397 -173.496 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 78' ' ' ASP . . . . . 0.4 ' OD2' ' NH2' ' C' ' 104' ' ' ARG . 15.7 p-10 -103.53 13.02 34.31 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 114.367 1.247 . . . . 48.78 114.367 -170.787 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 79' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' C' ' 74' ' ' THR . 87.4 m-20 59.03 55.76 4.29 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 118.888 0.767 . . . . 58.58 111.149 172.329 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 80' ' ' ARG . . . . . 0.551 ' H ' ' CG2' ' C' ' 74' ' ' THR . 40.9 mtt85 -131.86 153.43 50.21 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 118.877 -1.129 . . . . 54.07 109.777 -172.094 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 81' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -90.32 129.74 36.51 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 109.13 -0.693 . . . . 62.15 109.13 175.307 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 82' ' ' VAL . . . . . . . . . . . . . 35.4 m -137.54 154.81 30.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 105.903 -1.888 . . . . 53.2 105.903 174.47 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 5.8 mmtt -107.44 109.62 21.37 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 107.528 -1.286 . . . . 80.64 107.528 172.299 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 84' ' ' ALA . . . . . . . . . . . . . . . -99.52 145.81 27.08 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.572 0.749 . . . . 69.18 111.445 -172.028 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 85' ' ' LEU . . . . . 0.576 ' O ' ' HA ' ' C' ' 95' ' ' CYS . 11.6 tp -137.98 135.96 36.48 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 114.87 -1.059 . . . . 70.68 108.446 173.232 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 86' ' ' VAL . . . . . 0.465 HG22 ' HB2' ' C' ' 95' ' ' CYS . 13.0 t -119.3 128.18 75.84 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 N-CA-C 108.138 -1.06 . . . . 68.28 108.138 -179.621 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 87' ' ' THR . . . . . . . . . . . . . 18.6 p -126.62 157.68 38.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.389 0.614 . . . . 69.44 109.572 179.278 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 88' ' ' TRP . . . . . 0.615 ' CD1' HG11 ' C' ' 66' ' ' VAL . 94.4 m95 -81.93 144.37 30.99 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 119.449 -0.9 . . . . 77.55 108.655 166.468 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -138.98 105.99 5.44 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 104.828 -2.286 . . . . 83.83 104.828 165.858 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 90' ' ' GLY . . . . . . . . . . . . . . . 61.39 -114.44 6.7 Favored Glycine 0 C--O 1.237 0.284 0 N-CA-C 109.118 -1.593 . . . . 85.37 109.118 -168.314 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 91' ' ' ASP . . . . . 0.578 ' HB3' ' O ' ' B' ' 1' ' ' THR . 81.0 m-20 -110.17 19.72 18.63 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 123.513 0.725 . . . . 93.91 112.082 177.867 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 92' ' ' VAL . . . . . 0.618 HG13 ' HB3' ' C' ' 109' ' ' TRP . 3.9 t -120.2 123.28 70.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 N-CA-C 108.565 -0.902 . . . . 73.28 108.565 -164.834 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 93' ' ' LEU . . . . . . . . . . . . . 17.3 mt -77.63 125.65 29.66 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 109.765 -0.457 . . . . 75.57 109.765 174.546 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 94' ' ' VAL . . . . . . . . . . . . . 53.5 t -123.74 104.9 14.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 105.743 -1.947 . . . . 76.15 105.743 -172.111 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 95' ' ' CYS . . . . . 0.576 ' HA ' ' O ' ' C' ' 85' ' ' LEU . 38.2 t -104.7 136.86 43.43 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.895 -1.15 . . . . 66.32 107.895 177.802 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 96' ' ' VAL . . . . . . . . . . . . . 11.4 t -114.65 145.42 20.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 107.269 -1.382 . . . . 69.0 107.269 167.935 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 97' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -122.71 86.17 2.54 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 107.443 -1.317 . . . . 62.41 107.443 -176.502 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 98' ' ' LYS . . . . . . . . . . . . . . . -61.8 139.98 58.29 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 116.241 -0.436 . . . . 64.38 110.335 177.644 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 99' ' ' GLY . . . . . . . . . . . . . . . 160.46 -156.23 27.49 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.363 -0.695 . . . . 66.58 111.363 -177.796 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 100' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -73.52 -14.4 61.21 Favored 'General case' 0 C--O 1.239 0.517 0 N-CA-C 113.243 0.831 . . . . 80.81 113.243 -168.826 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 101' ' ' LYS . . . . . 0.554 ' HG2' ' SG ' ' C' ' 121' ' ' CYS . 10.4 tptt -109.88 117.04 32.78 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.452 -0.944 . . . . 61.07 108.452 -173.96 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 102' ' ' GLU . . . . . . . . . . . . . . . -59.33 139.9 56.58 Favored 'General case' 0 N--CA 1.455 -0.207 0 O-C-N 123.749 0.656 . . . . 61.05 110.591 -179.621 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 103' ' ' ASN . . . . . . . . . . . . . 35.8 t30 61.78 44.07 8.99 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.685 -0.689 . . . . 71.19 111.435 169.732 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 104' ' ' ARG . . . . . 0.442 ' NH2' HD22 ' B' ' 23' ' ' LEU . 4.4 ttm-85 -102.51 130.48 49.34 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 108.83 -0.804 . . . . 66.98 108.83 179.096 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 105' ' ' GLY . . . . . . . . . . . . . . . 173.89 -175.53 46.45 Favored Glycine 0 C--O 1.229 -0.167 0 N-CA-C 109.946 -1.262 . . . . 52.23 109.946 179.446 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 106' ' ' TRP . . . . . . . . . . . . . 36.9 p-90 -151.36 164.13 37.39 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 118.37 -1.332 . . . . 63.22 110.585 177.431 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 107' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -135.12 138.61 43.93 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 114.833 -1.076 . . . . 66.79 108.226 -176.075 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 108' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -146.58 130.88 17.52 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.205 -0.665 . . . . 61.03 109.205 -169.197 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 109' ' ' TRP . . . . . 0.618 ' HB3' HG13 ' C' ' 92' ' ' VAL . 21.6 p90 -162.21 162.73 28.41 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 120.242 -0.583 . . . . 70.7 109.726 -179.763 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 110' ' ' ILE . . . . . 0.5 HD11 ' HA ' ' B' ' 4' ' ' PHE . 82.4 mt -104.97 143.52 16.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 108.599 -0.889 . . . . 71.19 108.599 176.649 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . . . -121.34 89.07 3.05 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 105.105 -2.183 . . . . 81.76 105.105 171.358 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 112' ' ' GLY . . . . . . . . . . . . . . . 45.17 -94.58 0.01 OUTLIER Glycine 0 C--N 1.338 0.691 0 CA-C-N 114.883 -1.053 . . . . 86.91 111.991 -175.894 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 113' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -57.43 -47.1 82.67 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.646 -0.277 . . . . 83.67 111.42 -176.261 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 114' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -124.99 157.74 35.39 Favored 'General case' 0 CA--C 1.521 -0.169 0 C-N-CA 118.836 -1.146 . . . . 76.98 112.101 -155.766 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 115' ' ' LEU . . . . . 0.453 HD12 ' H ' ' C' ' 116' ' ' TYR . 20.9 tp -99.22 140.67 33.04 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 114.908 -1.042 . . . . 69.09 109.722 177.198 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 116' ' ' TYR . . . . . 0.453 ' H ' HD12 ' C' ' 115' ' ' LEU . 48.6 m-85 -125.05 128.53 48.65 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 107.898 -1.149 . . . . 67.12 107.898 -172.215 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 117' ' ' LEU . . . . . . . . . . . . . 29.7 tp -126.39 136.55 52.84 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 108.463 -0.939 . . . . 60.61 108.463 178.309 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -138.89 109.44 6.58 Favored 'General case' 0 C--O 1.238 0.483 0 N-CA-C 107.382 -1.34 . . . . 68.59 107.382 179.566 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 119' ' ' LEU . . . . . . . . . . . . . 3.0 mt -97.34 135.21 39.56 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.698 -0.482 . . . . 56.59 109.698 176.312 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 120' ' ' THR . . . . . . . . . . . . . 19.3 m -122.13 133.03 54.76 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 109.108 -0.701 . . . . 54.24 109.108 -178.327 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 121' ' ' CYS . . . . . 0.554 ' SG ' ' HG2' ' C' ' 101' ' ' LYS . 9.5 t -134.91 129.72 34.78 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 108.209 -1.034 . . . . 55.82 108.209 165.005 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 122' ' ' GLY . . . . . . . . . . . . . . . 51.23 -135.8 31.39 Favored Glycine 0 C--N 1.332 0.348 0 C-N-CA 118.74 -1.695 . . . . 56.38 110.159 -171.423 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 123' ' ' ASP . . . . . . . . . . . . . 52.1 p-10 -89.98 5.18 47.65 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 112.958 0.725 . . . . 72.27 112.958 176.264 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 124' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -92.56 138.15 31.75 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 123.713 0.805 . . . . 63.3 111.241 -177.776 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 125' ' ' VAL . . . . . . . . . . . . . 2.3 t -126.76 142.55 42.95 Favored 'Isoleucine or valine' 0 C--O 1.237 0.395 0 CA-C-N 116.102 -0.499 . . . . 64.25 109.772 179.456 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 126' ' ' CYS . . . . . . . . . . . . . 6.2 t -117.97 132.59 56.38 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 108.472 -0.936 . . . . 55.55 108.472 171.229 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 127' ' ' ARG . . . . . . . . . . . . . 3.6 mtm105 -124.34 120.98 33.71 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 109.922 -0.399 . . . . 67.24 109.922 -169.61 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 128' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -126.72 154.68 43.82 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 123.87 0.868 . . . . 56.85 110.979 -175.718 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 129' ' ' VAL . . . . . . . . . . . . . 19.6 t -142.54 130.38 20.1 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 N-CA-C 108.327 -0.99 . . . . 53.62 108.327 -172.974 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 130' ' ' PHE . . . . . 0.476 ' CE1' ' HB2' ' B' ' 10' ' ' MET . 10.4 m-85 -126.26 137.14 53.49 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.884 -0.413 . . . . 62.01 109.884 -177.332 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 131' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -94.85 139.51 31.19 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 122.78 0.432 . . . . 82.64 110.158 170.38 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 132' ' ' LYS . . . . . 0.642 ' HB2' ' CZ3' ' B' ' 8' ' ' TRP . 24.6 tttt -76.54 140.86 41.29 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 109.452 -0.573 . . . . 66.17 109.452 177.935 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 133' ' ' LYS . . . . . . . . . . . . . 21.1 tttm . . . . . 0 CA--C 1.531 0.224 0 CA-C-N 115.561 -0.745 . . . . 76.22 110.806 -177.399 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' GOL . . . . . 0.423 ' H12' HE22 ' B' ' 44' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' GOL . . . . . 0.55 ' O1 ' ' SD ' ' B' ' 10' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 202' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 203' ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 301' ' ' HOH . . . . . 0.71 ' O ' ' OE2' ' C' ' 72' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 302' ' ' HOH . . . . . 0.442 ' O ' HG23 ' B' ' 29' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_