data_6qek_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 6qek _Structure_validation_residue.Date_analyzed 2019-01-18 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' ' ' ASP . . . . . . . . . . . . . 68.1 t0 . . . . . 0 N--CA 1.502 2.127 0 N-CA-C 108.875 -0.787 . . . . 71.65 108.875 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.9 mt -56.14 -53.92 33.52 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 CA-C-N 113.982 -1.463 . . . . 68.0 114.106 179.81 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -69.18 -35.5 76.35 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 122.235 -0.291 . . . . 74.14 111.118 -179.827 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.63 -58.62 4.03 Favored Glycine 0 N--CA 1.48 1.611 0 CA-C-O 122.23 0.905 . . . . 56.8 113.072 172.802 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -61.61 -46.04 91.49 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 113.749 -1.225 . . . . 65.53 111.712 177.801 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -60.58 -44.69 95.92 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 123.404 0.44 . . . . 63.77 111.364 -178.22 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 88.7 mt -58.84 -54.85 28.05 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.741 0 N-CA-C 112.951 0.722 . . . . 46.62 112.951 174.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.2 m -52.4 -38.44 58.99 Favored 'General case' 0 C--O 1.243 0.718 0 O-C-N 123.837 0.71 . . . . 49.58 110.985 178.113 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ALA . . . . . 0.476 ' O ' ' OG ' ' A' ' 12' ' ' SER . . . -64.65 -49.55 70.57 Favored 'General case' 0 C--O 1.246 0.894 0 O-C-N 124.567 1.167 . . . . 47.74 110.802 -175.418 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.3 t -61.61 -41.89 92.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 N-CA-C 114.985 1.476 . . . . 53.13 114.985 176.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 94.1 t -71.74 -39.55 68.8 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 N-CA-C 105.895 -1.891 . . . . 52.14 105.895 -173.989 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' SER . . . . . 0.476 ' OG ' ' O ' ' A' ' 9' ' ' ALA . 14.5 p -42.13 -29.5 0.24 Allowed 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 115.433 1.642 . . . . 54.9 115.433 174.251 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.0 mttm -104.05 12.79 33.65 Favored 'General case' 0 CA--C 1.506 -0.721 0 N-CA-C 114.005 1.113 . . . . 73.15 114.005 -176.557 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.4 mt -98.34 122.84 50.44 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.546 0 N-CA-C 106.935 -1.506 . . . . 48.2 106.935 -177.304 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.2 pm0 -59.11 143.49 48.51 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 119.818 -0.753 . . . . 76.72 109.657 -177.545 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 31.6 m120 75.74 2.54 3.74 Favored 'General case' 0 C--O 1.248 1.021 0 N-CA-C 115.914 1.82 . . . . 56.03 115.914 175.238 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 78.9 t -90.47 109.7 21.14 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 N-CA-C 107.572 -1.269 . . . . 42.46 107.572 169.237 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -83.29 -14.61 52.68 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 121.876 -0.515 . . . . 57.79 111.685 -175.194 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 172.6 171.85 37.79 Favored Glycine 0 C--O 1.279 2.935 0 O-C-N 120.858 -1.151 . . . . 37.51 111.27 -179.786 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 46.5 mt -115.02 120.74 65.44 Favored 'Isoleucine or valine' 0 C--O 1.248 1.009 0 N-CA-C 108.714 -0.847 . . . . 48.91 108.714 170.076 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 72.4 p -84.57 -37.44 21.17 Favored 'General case' 0 CA--C 1.557 1.214 0 O-C-N 124.672 1.233 . . . . 43.59 112.553 -179.721 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -143.74 124.75 14.39 Favored 'General case' 0 N--CA 1.42 -1.964 0 C-N-CA 125.022 1.329 . . . . 67.4 111.3 -173.56 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 66.3 tp -125.97 123.13 37.82 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-O 118.952 -0.546 . . . . 41.58 112.064 167.219 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -124.25 124.91 43.45 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 105.913 -1.884 . . . . 52.7 105.913 176.023 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 64.7 p -120.32 134.82 55.19 Favored 'General case' 0 CA--C 1.503 -0.845 0 N-CA-C 107.206 -1.405 . . . . 40.91 107.206 172.198 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -120.24 133.5 55.46 Favored 'General case' 0 CA--C 1.555 1.139 0 N-CA-C 107.597 -1.261 . . . . 52.81 107.597 173.581 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -90.36 117.9 29.44 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 107.154 -1.425 . . . . 55.78 107.154 -179.069 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 45.1 mm -123.17 96.29 3.91 Favored 'Isoleucine or valine' 0 C--O 1.245 0.864 0 N-CA-C 106.735 -1.58 . . . . 61.32 106.735 -179.685 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.78 -125.97 26.26 Favored Glycine 0 N--CA 1.467 0.737 0 N-CA-C 107.933 -2.067 . . . . 58.65 107.933 -166.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 16.5 mp0 -108.31 18.41 21.07 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 120.175 -0.61 . . . . 75.02 112.342 171.925 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.1 mttp -106.78 163.55 12.84 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 121.872 0.844 . . . . 77.26 113.153 166.152 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.1 mm -122.94 133.81 67.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 CA-C-N 114.605 -1.179 . . . . 54.62 108.369 -166.647 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 48.8 m0 -112.26 129.68 56.19 Favored 'General case' 0 CA--C 1.5 -0.969 0 N-CA-C 107.351 -1.352 . . . . 48.2 107.351 167.686 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -129.04 147.23 50.88 Favored 'General case' 0 C--O 1.267 2.025 0 CA-C-O 123.128 1.442 . . . . 37.94 110.266 -168.621 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 73.6 tt0 -143.7 122.28 12.5 Favored 'General case' 0 CA--C 1.564 1.497 0 N-CA-C 108.006 -1.109 . . . . 54.81 108.006 -178.704 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.9 mp -126.64 147.45 49.92 Favored 'General case' 0 CA--C 1.496 -1.114 0 O-C-N 124.266 0.979 . . . . 44.02 109.243 -172.104 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -119.47 122.69 42.28 Favored 'General case' 0 CA--C 1.505 -0.779 0 N-CA-C 101.705 -3.443 . . . . 49.96 101.705 169.291 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.8 pt -108.47 157.8 8.56 Favored 'Isoleucine or valine' 0 C--O 1.272 2.259 0 N-CA-C 106.049 -1.834 . . . . 35.27 106.049 -174.067 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.3 mt -103.92 128.47 51.42 Favored 'General case' 0 C--O 1.212 -0.888 0 CA-C-N 114.077 -1.419 . . . . 45.89 109.808 -178.854 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.2 t -133.19 154.7 39.84 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.795 0 N-CA-C 106.9 -1.518 . . . . 49.81 106.9 -177.343 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -39.96 121.17 1.53 Allowed Pre-proline 0 N--CA 1.475 0.804 0 N-CA-C 113.925 1.083 . . . . 52.28 113.925 171.865 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -59.77 -28.33 87.02 Favored 'Trans proline' 0 CA--C 1.558 1.716 0 N-CA-C 115.08 1.146 . . . . 48.7 115.08 179.327 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -86.52 -3.42 59.01 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 118.616 2.821 . . . . 66.69 118.616 178.34 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.4 m -69.77 161.31 30.05 Favored 'General case' 0 C--O 1.254 1.306 0 C-N-CA 120.346 -0.542 . . . . 49.5 111.021 168.504 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 31.3 p -84.85 161.15 20.01 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.852 -0.795 . . . . 41.52 108.852 176.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.7 mt -57.43 -41.53 78.83 Favored 'Isoleucine or valine' 0 C--O 1.262 1.713 0 CA-C-N 113.56 -1.655 . . . . 47.52 112.524 179.496 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . 0.335 4.6 p -62.93 -40.11 87.66 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.432 0 C-N-CA 117.795 -1.562 . . . . 36.67 109.468 178.963 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -65.54 -34.71 78.9 Favored 'General case' 0 CA--C 1.558 1.272 0 CA-C-N 119.937 1.244 . . . . 46.04 112.092 175.207 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -63.92 -45.45 94.07 Favored Glycine 0 CA--C 1.489 -1.532 0 CA-C-N 115.648 -0.705 . . . . 36.31 111.491 175.14 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -63.25 -37.17 86.2 Favored 'General case' 0 CA--C 1.557 1.228 0 C-N-CA 120.524 -0.47 . . . . 59.16 110.151 -179.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 57.1 m -57.15 -48.67 78.12 Favored 'General case' 0 C--O 1.253 1.264 0 CA-C-O 121.785 0.802 . . . . 46.0 110.309 173.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 60.3 mt -66.18 -49.93 72.47 Favored 'Isoleucine or valine' 0 C--O 1.254 1.301 0 C-N-CA 119.618 -0.833 . . . . 39.14 109.322 -179.589 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.59 -39.43 67.82 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 118.837 -1.145 . . . . 35.9 112.173 178.398 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.3 t -65.78 -41.21 92.26 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 118.519 -1.272 . . . . 45.78 113.733 177.536 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 39.8 mtt180 -50.22 -40.25 46.89 Favored 'General case' 0 CA--C 1.496 -1.097 0 N-CA-C 114.683 1.364 . . . . 65.04 114.683 168.714 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 47.2 t -69.27 -45.43 79.26 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.088 0 N-CA-C 114.123 1.157 . . . . 36.51 114.123 176.094 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -58.28 -47.55 83.27 Favored 'General case' 0 CA--C 1.571 1.76 0 C-N-CA 123.407 0.683 . . . . 57.76 109.922 179.753 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -61.03 -48.92 79.54 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 117.181 2.289 . . . . 56.51 117.181 171.799 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.32 -43.0 78.54 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 118.856 -1.137 . . . . 37.74 108.525 -179.574 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.4 mt -70.32 -39.24 74.87 Favored 'General case' 0 C--O 1.26 1.656 0 N-CA-C 116.69 2.108 . . . . 42.92 116.69 -177.041 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.0 m -64.13 -31.04 72.09 Favored 'General case' 0 CA--C 1.569 1.694 0 CA-C-O 121.496 0.665 . . . . 60.96 111.359 -179.316 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -85.87 -47.14 9.95 Favored 'General case' 0 CA--C 1.491 -1.291 0 C-N-CA 124.534 1.134 . . . . 54.79 110.703 -173.139 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -81.15 -20.89 40.34 Favored 'General case' 0 C--O 1.237 0.434 0 O-C-N 123.996 0.81 . . . . 50.3 112.789 -172.905 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 36.3 mt -126.06 88.44 1.27 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.507 0 N-CA-C 105.156 -2.164 . . . . 68.81 105.156 176.443 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . . . -68.25 -16.36 63.93 Favored 'General case' 0 CA--C 1.569 1.679 0 N-CA-C 114.782 1.401 . . . . 65.62 114.782 179.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . . . -55.41 -34.67 64.6 Favored 'General case' 0 N--CA 1.507 2.408 0 N-CA-C 113.517 0.932 . . . . 58.26 113.517 166.949 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 19.2 mt -71.13 111.36 4.89 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 114.988 -1.005 . . . . 65.83 110.532 177.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -77.24 -38.37 51.26 Favored 'General case' 0 C--O 1.247 0.966 0 N-CA-C 113.728 1.01 . . . . 61.39 113.728 174.475 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.2 mtp180 -144.06 131.72 21.23 Favored 'General case' 0 C--O 1.251 1.154 0 N-CA-C 105.485 -2.043 . . . . 83.44 105.485 -163.533 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.5 p -140.75 128.58 23.34 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 O-C-N 124.463 1.102 . . . . 46.12 112.384 177.33 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 23.1 t -117.46 136.68 53.84 Favored 'Isoleucine or valine' 0 C--O 1.246 0.893 0 C-N-CA 123.86 0.864 . . . . 41.76 109.252 170.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.9 t -127.49 128.87 70.26 Favored 'Isoleucine or valine' 0 C--O 1.249 1.054 0 N-CA-C 104.348 -2.464 . . . . 35.69 104.348 -177.23 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -119.84 158.83 25.81 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 102.755 -3.054 . . . . 35.67 102.755 176.36 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -136.52 161.09 36.83 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 115.453 -0.794 . . . . 43.88 109.449 178.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -162.29 165.12 16.16 Favored Pre-proline 0 N--CA 1.426 -1.625 0 N-CA-C 105.392 -2.077 . . . . 66.09 105.392 -174.6 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -82.86 140.42 10.22 Favored 'Trans proline' 0 N--CA 1.442 -1.547 0 O-C-N 123.885 1.466 . . . . 44.81 112.98 -173.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -80.71 -172.29 3.56 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.457 1.723 . . . . 55.57 110.67 164.28 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.103 0 C-N-CA 124.536 1.134 . . . . 70.36 112.587 170.261 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 37.1 t0 . . . . . 0 CA--C 1.603 2.99 0 N-CA-C 115.677 1.732 . . . . 58.14 115.677 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -78.14 -2.64 4.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 N-CA-C 116.284 1.957 . . . . 54.97 116.284 -176.31 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -102.48 1.53 35.27 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 113.789 1.033 . . . . 59.9 113.789 -173.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.61 -146.09 20.18 Favored Glycine 0 CA--C 1.557 2.708 0 N-CA-C 109.4 -1.48 . . . . 50.66 109.4 173.86 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -73.4 162.99 28.69 Favored 'General case' 0 CA--C 1.48 -1.712 0 N-CA-C 105.423 -2.066 . . . . 51.39 105.423 -169.449 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' B' ' 102' ' ' HOH . 2.5 mt-10 -59.67 -41.18 90.07 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 124.199 0.937 . . . . 70.0 111.97 -174.411 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 64.2 mt -62.44 -53.75 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 CA-C-O 121.249 0.547 . . . . 39.31 112.321 -178.464 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 52.7 m -54.11 -39.1 66.08 Favored 'General case' 0 C--O 1.257 1.474 0 CA-C-O 117.849 -1.072 . . . . 36.57 112.082 175.062 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.05 -52.12 61.91 Favored 'General case' 0 C--O 1.277 2.55 0 O-C-N 124.775 1.297 . . . . 40.63 111.077 173.747 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 48.6 t -58.63 -44.21 89.1 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.683 0 CA-C-O 122.413 1.101 . . . . 38.04 111.4 -179.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 86.6 t -74.44 -33.54 33.52 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.958 0 CA-C-O 116.346 -1.787 . . . . 40.32 110.073 -173.776 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 60.6 p -57.92 -24.76 59.23 Favored 'General case' 1 N--CA 1.542 4.137 0 CA-C-N 120.241 1.382 . . . . 43.04 113.473 -178.911 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 10.3 mtmm -86.21 -2.9 58.79 Favored 'General case' 0 C--O 1.245 0.834 0 N-CA-C 115.924 1.824 . . . . 64.21 115.924 179.355 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 63.9 mt -92.95 102.74 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 N-CA-C 108.088 -1.079 . . . . 43.58 108.088 178.332 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . . . -52.6 -43.85 65.6 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 112.488 0.551 . . . . 50.46 112.488 -166.187 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -74.77 -9.27 58.4 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 114.05 1.13 . . . . 58.95 114.05 -173.951 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 86.5 t -82.14 122.77 37.39 Favored 'Isoleucine or valine' 0 C--O 1.251 1.142 0 N-CA-C 107.908 -1.145 . . . . 40.65 107.908 169.513 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 17.6 mttm -90.62 -18.66 24.77 Favored 'General case' 0 CA--C 1.568 1.635 0 N-CA-C 117.006 2.225 . . . . 72.14 117.006 171.874 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -178.91 168.45 39.35 Favored Glycine 0 N--CA 1.507 3.408 0 O-C-N 121.577 -0.702 . . . . 36.34 112.317 179.406 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 71.1 mt -118.16 113.99 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.269 0 N-CA-C 102.08 -3.304 . . . . 41.84 102.08 173.857 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 95.0 p -74.62 -26.1 59.67 Favored 'General case' 0 C--O 1.25 1.08 0 N-CA-C 114.51 1.3 . . . . 40.74 114.51 174.773 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -156.41 129.32 7.88 Favored 'General case' 0 CA--C 1.559 1.294 0 CA-C-O 123.428 1.585 . . . . 57.0 110.5 -174.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 11.9 tp -127.26 121.15 30.37 Favored 'General case' 0 C--O 1.264 1.86 0 N-CA-C 106.426 -1.694 . . . . 38.94 106.426 176.317 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -121.18 120.82 36.34 Favored 'General case' 0 C--O 1.258 1.543 0 O-C-N 125.003 1.439 . . . . 57.97 108.587 177.33 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 69.5 p -126.38 148.67 49.56 Favored 'General case' 0 N--CA 1.521 3.102 0 C-N-CA 119.139 -1.025 . . . . 39.33 110.994 176.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ARG . . . . . 0.669 ' NH1' ' O ' ' B' ' 101' ' ' HOH . 0.0 OUTLIER -125.72 134.1 51.9 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 104.28 -2.489 . . . . 70.38 104.28 -178.428 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 34.4 m80 -128.69 121.7 29.13 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 116.31 -0.405 . . . . 45.1 111.522 -177.099 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . . . -121.35 105.58 16.87 Favored 'Isoleucine or valine' 0 C--O 1.241 0.652 0 N-CA-C 104.459 -2.423 . . . . 58.78 104.459 169.316 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 46.16 -122.69 6.31 Favored Glycine 0 CA--C 1.569 3.448 0 O-C-N 124.476 1.11 . . . . 54.4 114.037 -161.686 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . . . -77.58 -19.21 55.99 Favored 'General case' 0 C--O 1.26 1.657 0 N-CA-C 116.414 2.005 . . . . 48.19 116.414 175.003 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . . . -74.29 132.75 42.36 Favored 'General case' 0 C--O 1.253 1.267 0 O-C-N 123.671 0.607 . . . . 43.73 111.806 -175.445 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 34.2 mt -117.71 127.98 74.97 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 O-C-N 125.381 1.676 . . . . 38.4 112.183 -174.517 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 12.9 m-90 -114.21 121.47 43.84 Favored 'General case' 0 C--O 1.242 0.673 0 N-CA-C 102.427 -3.175 . . . . 64.2 102.427 167.301 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -119.92 146.61 45.63 Favored 'General case' 0 CA--C 1.548 0.897 0 O-C-N 125.264 1.602 . . . . 32.24 113.988 -178.07 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -136.48 124.27 22.55 Favored 'General case' 0 C--O 1.245 0.826 0 N-CA-C 107.947 -1.131 . . . . 52.06 107.947 169.936 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.24 156.24 37.19 Favored 'General case' 0 C--N 1.361 1.107 0 C-N-CA 120.359 -0.536 . . . . 48.96 109.868 -178.023 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -127.56 111.12 13.41 Favored 'General case' 0 N--CA 1.411 -2.378 0 N-CA-C 105.819 -1.919 . . . . 62.5 105.819 170.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 45.4 pt -95.32 155.83 3.27 Favored 'Isoleucine or valine' 0 C--O 1.261 1.663 0 CA-C-N 115.579 -0.737 . . . . 41.3 112.425 177.065 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 70.4 mt -105.26 131.63 52.47 Favored 'General case' 0 CA--C 1.492 -1.258 0 N-CA-C 107.374 -1.343 . . . . 42.05 107.374 176.787 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 23.4 m -127.92 166.32 25.21 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.887 0 N-CA-C 106.975 -1.491 . . . . 41.32 106.975 178.495 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -51.75 125.64 30.1 Favored Pre-proline 0 N--CA 1.493 1.723 0 CA-C-N 120.296 1.407 . . . . 68.88 109.102 178.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_exo -69.13 -17.71 40.31 Favored 'Trans proline' 0 C--N 1.348 0.538 0 N-CA-C 115.821 1.431 . . . . 51.63 115.821 -172.253 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -91.64 9.94 30.2 Favored 'General case' 0 N--CA 1.433 -1.296 0 O-C-N 123.136 0.272 . . . . 68.3 111.667 170.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 72.1 m -62.4 153.0 32.58 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 106.708 -1.59 . . . . 52.36 106.708 166.581 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 28.8 p -72.26 165.34 24.63 Favored 'General case' 0 CA--C 1.561 1.389 0 N-CA-C 109.154 -0.684 . . . . 44.68 109.154 166.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 74.8 mt -66.03 -42.63 91.97 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 CA-C-N 116.523 -0.308 . . . . 44.24 110.368 175.872 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 7.5 p -60.31 -43.36 93.48 Favored 'Isoleucine or valine' 0 CA--C 1.581 2.166 0 CA-C-O 118.275 -0.869 . . . . 44.52 113.014 171.802 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -51.87 -47.81 64.32 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 115.897 1.814 . . . . 43.6 115.897 168.93 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -56.26 -49.37 68.71 Favored Glycine 0 C--O 1.258 1.598 0 CA-C-O 118.599 -1.112 . . . . 32.69 113.067 171.926 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -55.69 -46.12 77.69 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 122.22 1.01 . . . . 59.1 113.432 175.927 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 40.5 m -55.06 -46.83 75.43 Favored 'General case' 0 N--CA 1.425 -1.696 0 CA-C-N 114.863 -1.062 . . . . 33.71 113.366 175.112 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 40.8 mt -64.3 -46.86 91.98 Favored 'Isoleucine or valine' 0 C--O 1.255 1.389 0 N-CA-C 112.744 0.646 . . . . 42.09 112.744 176.5 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.14 -46.37 65.38 Favored 'General case' 0 C--O 1.273 2.328 0 N-CA-C 115.0 1.481 . . . . 27.37 115.0 170.899 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.52 -39.75 84.89 Favored 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 117.528 2.418 . . . . 37.01 117.528 171.656 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -55.69 -47.19 77.19 Favored 'General case' 0 N--CA 1.421 -1.917 0 C-N-CA 125.593 1.557 . . . . 46.87 109.756 173.543 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 51.7 t -68.74 -46.05 80.17 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.17 0 N-CA-C 109.225 -0.657 . . . . 36.26 109.225 -176.406 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 67.6 tttt -51.54 -51.89 51.52 Favored 'General case' 0 C--O 1.254 1.305 0 N-CA-C 114.218 1.192 . . . . 44.85 114.218 175.385 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -54.89 -52.54 62.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.434 -1.257 . . . . 47.57 111.59 177.86 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -53.67 -42.64 68.13 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 113.181 0.808 . . . . 35.41 113.181 176.321 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 46.0 mt -71.34 -45.3 63.29 Favored 'General case' 0 CA--C 1.461 -2.479 0 O-C-N 123.822 0.701 . . . . 35.4 110.16 -175.264 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' THR . . . . . . . . . . . . . 81.5 p -69.54 -32.95 72.07 Favored 'General case' 0 CA--C 1.573 1.864 0 C-N-CA 117.902 -1.519 . . . . 44.67 113.186 -174.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . 0.255 4.7 pt-20 -81.41 -30.02 33.71 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 117.038 2.236 . . . . 60.53 117.038 171.585 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -88.07 -13.94 40.17 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 119.469 1.031 . . . . 47.89 112.891 -176.683 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 75.2 mt -130.25 131.64 65.5 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.456 0 N-CA-C 109.344 -0.613 . . . . 46.82 109.344 -173.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -95.31 141.56 28.74 Favored 'General case' 0 CA--C 1.551 0.989 0 O-C-N 126.338 2.273 . . . . 70.5 110.061 -168.233 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 74.97 27.63 1.15 Allowed 'General case' 0 C--O 1.205 -1.237 0 C-N-CA 123.877 0.871 . . . . 56.27 110.993 178.502 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 20.8 mm -77.59 110.56 13.41 Favored 'Isoleucine or valine' 0 C--O 1.258 1.514 0 CA-C-O 122.444 1.116 . . . . 52.77 111.501 163.364 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -78.52 -52.51 8.41 Favored 'General case' 0 C--O 1.254 1.326 0 CA-C-N 111.91 -2.404 . . . . 79.72 108.033 171.837 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -141.44 137.81 32.45 Favored 'General case' 0 N--CA 1.483 1.186 0 O-C-N 123.977 0.798 . . . . 76.07 112.845 -173.231 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 p -144.41 122.52 5.97 Favored 'Isoleucine or valine' 0 C--O 1.289 3.162 0 CA-C-O 123.271 1.51 . . . . 37.19 111.53 172.205 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' VAL . . . . . . . . . . . . . 39.4 t -118.26 137.91 50.66 Favored 'Isoleucine or valine' 0 C--O 1.275 2.404 0 CA-C-N 114.343 -1.299 . . . . 36.58 107.668 173.168 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 87.5 t -125.4 123.0 64.01 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.979 0 N-CA-C 107.476 -1.305 . . . . 31.99 107.476 -178.496 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -110.65 154.41 23.86 Favored 'General case' 0 CA--C 1.462 -2.425 0 O-C-N 125.692 1.87 . . . . 34.19 106.323 177.349 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -124.76 161.04 27.28 Favored 'General case' 0 C--O 1.204 -1.341 0 N-CA-C 107.109 -1.441 . . . . 47.7 107.109 179.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -157.88 155.3 26.34 Favored Pre-proline 0 C--O 1.272 2.276 0 N-CA-C 104.457 -2.423 . . . . 76.55 104.457 -169.841 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_endo -63.9 142.72 83.22 Favored 'Trans proline' 0 C--N 1.368 1.56 0 O-C-N 126.039 2.6 . . . . 71.17 111.431 178.596 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.033 0 O-C-N 123.684 0.615 . . . . 71.06 112.193 161.508 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' HOH . . . . . 0.669 ' O ' ' NH1' ' B' ' 26' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' HOH . . . . . 0.44 ' O ' ' N ' ' B' ' 6' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 68.1 t0 . . . . . 0 N--CA 1.502 2.127 0 N-CA-C 108.875 -0.787 . . . . 71.65 108.875 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.9 mt -56.14 -53.92 33.52 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 CA-C-N 113.982 -1.463 . . . . 68.0 114.106 179.81 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -69.18 -35.5 76.35 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 122.235 -0.291 . . . . 74.14 111.118 -179.827 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.63 -58.62 4.03 Favored Glycine 0 N--CA 1.48 1.611 0 CA-C-O 122.23 0.905 . . . . 56.8 113.072 172.802 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -61.61 -46.04 91.49 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 113.749 -1.225 . . . . 65.53 111.712 177.801 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -60.58 -44.69 95.92 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 123.404 0.44 . . . . 63.77 111.364 -178.22 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 88.7 mt -58.84 -54.85 28.05 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.741 0 N-CA-C 112.951 0.722 . . . . 46.62 112.951 174.912 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.2 m -52.4 -38.44 58.99 Favored 'General case' 0 C--O 1.243 0.718 0 O-C-N 123.837 0.71 . . . . 49.58 110.985 178.113 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.65 -49.55 70.57 Favored 'General case' 0 C--O 1.246 0.894 0 O-C-N 124.567 1.167 . . . . 47.74 110.802 -175.418 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.3 t -61.61 -41.89 92.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 N-CA-C 114.985 1.476 . . . . 53.13 114.985 176.963 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' VAL . . . . . 0.486 ' CG1' HG11 ' A' ' 17' ' ' VAL . 94.1 t -71.74 -39.55 68.8 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 N-CA-C 105.895 -1.891 . . . . 52.14 105.895 -173.989 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.5 p -42.13 -29.5 0.24 Allowed 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 115.433 1.642 . . . . 54.9 115.433 174.251 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.0 mttm -104.05 12.79 33.65 Favored 'General case' 0 CA--C 1.506 -0.721 0 N-CA-C 114.005 1.113 . . . . 73.15 114.005 -176.557 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.4 mt -98.34 122.84 50.44 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.546 0 N-CA-C 106.935 -1.506 . . . . 48.2 106.935 -177.304 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.2 pm0 -59.11 143.49 48.51 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 119.818 -0.753 . . . . 76.72 109.657 -177.545 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 31.6 m120 75.74 2.54 3.74 Favored 'General case' 0 C--O 1.248 1.021 0 N-CA-C 115.914 1.82 . . . . 56.03 115.914 175.238 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' VAL . . . . . 0.486 HG11 ' CG1' ' A' ' 11' ' ' VAL . 78.9 t -90.47 109.7 21.14 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 N-CA-C 107.572 -1.269 . . . . 42.46 107.572 169.237 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -83.29 -14.61 52.68 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 121.876 -0.515 . . . . 57.79 111.685 -175.194 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 172.6 171.85 37.79 Favored Glycine 0 C--O 1.279 2.935 0 O-C-N 120.858 -1.151 . . . . 37.51 111.27 -179.786 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 46.5 mt -115.02 120.74 65.44 Favored 'Isoleucine or valine' 0 C--O 1.248 1.009 0 N-CA-C 108.714 -0.847 . . . . 48.91 108.714 170.076 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 72.4 p -84.57 -37.44 21.17 Favored 'General case' 0 CA--C 1.557 1.214 0 O-C-N 124.672 1.233 . . . . 43.59 112.553 -179.721 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -143.74 124.75 14.39 Favored 'General case' 0 N--CA 1.42 -1.964 0 C-N-CA 125.022 1.329 . . . . 67.4 111.3 -173.56 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 66.3 tp -125.97 123.13 37.82 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-O 118.952 -0.546 . . . . 41.58 112.064 167.219 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -124.25 124.91 43.45 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 105.913 -1.884 . . . . 52.7 105.913 176.023 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 64.7 p -120.32 134.82 55.19 Favored 'General case' 0 CA--C 1.503 -0.845 0 N-CA-C 107.206 -1.405 . . . . 40.91 107.206 172.198 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ARG . . . . . 0.438 ' CD ' HD11 ' A' ' 28' ' ' ILE . 1.0 OUTLIER -120.24 133.5 55.46 Favored 'General case' 0 CA--C 1.555 1.139 0 N-CA-C 107.597 -1.261 . . . . 52.81 107.597 173.581 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -90.36 117.9 29.44 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 107.154 -1.425 . . . . 55.78 107.154 -179.069 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ILE . . . . . 0.438 HD11 ' CD ' ' A' ' 26' ' ' ARG . 45.1 mm -123.17 96.29 3.91 Favored 'Isoleucine or valine' 0 C--O 1.245 0.864 0 N-CA-C 106.735 -1.58 . . . . 61.32 106.735 -179.685 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.78 -125.97 26.26 Favored Glycine 0 N--CA 1.467 0.737 0 N-CA-C 107.933 -2.067 . . . . 58.65 107.933 -166.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 16.5 mp0 -108.31 18.41 21.07 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 120.175 -0.61 . . . . 75.02 112.342 171.925 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.1 mttp -106.78 163.55 12.84 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 121.872 0.844 . . . . 77.26 113.153 166.152 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.1 mm -122.94 133.81 67.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 CA-C-N 114.605 -1.179 . . . . 54.62 108.369 -166.647 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' TRP . . . . . 0.429 ' CD1' ' HB2' ' A' ' 69' ' ' ARG . 48.8 m0 -112.26 129.68 56.19 Favored 'General case' 0 CA--C 1.5 -0.969 0 N-CA-C 107.351 -1.352 . . . . 48.2 107.351 167.686 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -129.04 147.23 50.88 Favored 'General case' 0 C--O 1.267 2.025 0 CA-C-O 123.128 1.442 . . . . 37.94 110.266 -168.621 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 73.6 tt0 -143.7 122.28 12.5 Favored 'General case' 0 CA--C 1.564 1.497 0 N-CA-C 108.006 -1.109 . . . . 54.81 108.006 -178.704 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.9 mp -126.64 147.45 49.92 Favored 'General case' 0 CA--C 1.496 -1.114 0 O-C-N 124.266 0.979 . . . . 44.02 109.243 -172.104 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -119.47 122.69 42.28 Favored 'General case' 0 CA--C 1.505 -0.779 0 N-CA-C 101.705 -3.443 . . . . 49.96 101.705 169.291 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.8 pt -108.47 157.8 8.56 Favored 'Isoleucine or valine' 0 C--O 1.272 2.259 0 N-CA-C 106.049 -1.834 . . . . 35.27 106.049 -174.067 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.3 mt -103.92 128.47 51.42 Favored 'General case' 0 C--O 1.212 -0.888 0 CA-C-N 114.077 -1.419 . . . . 45.89 109.808 -178.854 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.2 t -133.19 154.7 39.84 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.795 0 N-CA-C 106.9 -1.518 . . . . 49.81 106.9 -177.343 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -39.96 121.17 1.53 Allowed Pre-proline 0 N--CA 1.475 0.804 0 N-CA-C 113.925 1.083 . . . . 52.28 113.925 171.865 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -59.77 -28.33 87.02 Favored 'Trans proline' 0 CA--C 1.558 1.716 0 N-CA-C 115.08 1.146 . . . . 48.7 115.08 179.327 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -86.52 -3.42 59.01 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 118.616 2.821 . . . . 66.69 118.616 178.34 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.4 m -69.77 161.31 30.05 Favored 'General case' 0 C--O 1.254 1.306 0 C-N-CA 120.346 -0.542 . . . . 49.5 111.021 168.504 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 31.3 p -84.85 161.15 20.01 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.852 -0.795 . . . . 41.52 108.852 176.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.7 mt -57.43 -41.53 78.83 Favored 'Isoleucine or valine' 0 C--O 1.262 1.713 0 CA-C-N 113.56 -1.655 . . . . 47.52 112.524 179.496 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . 0.335 4.6 p -62.93 -40.11 87.66 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.432 0 C-N-CA 117.795 -1.562 . . . . 36.67 109.468 178.963 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -65.54 -34.71 78.9 Favored 'General case' 0 CA--C 1.558 1.272 0 CA-C-N 119.937 1.244 . . . . 46.04 112.092 175.207 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -63.92 -45.45 94.07 Favored Glycine 0 CA--C 1.489 -1.532 0 CA-C-N 115.648 -0.705 . . . . 36.31 111.491 175.14 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -63.25 -37.17 86.2 Favored 'General case' 0 CA--C 1.557 1.228 0 C-N-CA 120.524 -0.47 . . . . 59.16 110.151 -179.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 57.1 m -57.15 -48.67 78.12 Favored 'General case' 0 C--O 1.253 1.264 0 CA-C-O 121.785 0.802 . . . . 46.0 110.309 173.77 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 60.3 mt -66.18 -49.93 72.47 Favored 'Isoleucine or valine' 0 C--O 1.254 1.301 0 C-N-CA 119.618 -0.833 . . . . 39.14 109.322 -179.589 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.59 -39.43 67.82 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 118.837 -1.145 . . . . 35.9 112.173 178.398 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.3 t -65.78 -41.21 92.26 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 118.519 -1.272 . . . . 45.78 113.733 177.536 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 39.8 mtt180 -50.22 -40.25 46.89 Favored 'General case' 0 CA--C 1.496 -1.097 0 N-CA-C 114.683 1.364 . . . . 65.04 114.683 168.714 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 47.2 t -69.27 -45.43 79.26 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.088 0 N-CA-C 114.123 1.157 . . . . 36.51 114.123 176.094 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -58.28 -47.55 83.27 Favored 'General case' 0 CA--C 1.571 1.76 0 C-N-CA 123.407 0.683 . . . . 57.76 109.922 179.753 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -61.03 -48.92 79.54 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 117.181 2.289 . . . . 56.51 117.181 171.799 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.32 -43.0 78.54 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 118.856 -1.137 . . . . 37.74 108.525 -179.574 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.4 mt -70.32 -39.24 74.87 Favored 'General case' 0 C--O 1.26 1.656 0 N-CA-C 116.69 2.108 . . . . 42.92 116.69 -177.041 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.0 m -64.13 -31.04 72.09 Favored 'General case' 0 CA--C 1.569 1.694 0 CA-C-O 121.496 0.665 . . . . 60.96 111.359 -179.316 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -85.87 -47.14 9.95 Favored 'General case' 0 CA--C 1.491 -1.291 0 C-N-CA 124.534 1.134 . . . . 54.79 110.703 -173.139 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -81.15 -20.89 40.34 Favored 'General case' 0 C--O 1.237 0.434 0 O-C-N 123.996 0.81 . . . . 50.3 112.789 -172.905 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 36.3 mt -126.06 88.44 1.27 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.507 0 N-CA-C 105.156 -2.164 . . . . 68.81 105.156 176.443 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . . . -68.25 -16.36 63.93 Favored 'General case' 0 CA--C 1.569 1.679 0 N-CA-C 114.782 1.401 . . . . 65.62 114.782 179.894 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . . . -55.41 -34.67 64.6 Favored 'General case' 0 N--CA 1.507 2.408 0 N-CA-C 113.517 0.932 . . . . 58.26 113.517 166.949 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 19.2 mt -71.13 111.36 4.89 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 114.988 -1.005 . . . . 65.83 110.532 177.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -77.24 -38.37 51.26 Favored 'General case' 0 C--O 1.247 0.966 0 N-CA-C 113.728 1.01 . . . . 61.39 113.728 174.475 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ARG . . . . . 0.429 ' HB2' ' CD1' ' A' ' 33' ' ' TRP . 16.2 mtp180 -144.06 131.72 21.23 Favored 'General case' 0 C--O 1.251 1.154 0 N-CA-C 105.485 -2.043 . . . . 83.44 105.485 -163.533 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.5 p -140.75 128.58 23.34 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 O-C-N 124.463 1.102 . . . . 46.12 112.384 177.33 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 23.1 t -117.46 136.68 53.84 Favored 'Isoleucine or valine' 0 C--O 1.246 0.893 0 C-N-CA 123.86 0.864 . . . . 41.76 109.252 170.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.9 t -127.49 128.87 70.26 Favored 'Isoleucine or valine' 0 C--O 1.249 1.054 0 N-CA-C 104.348 -2.464 . . . . 35.69 104.348 -177.23 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -119.84 158.83 25.81 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 102.755 -3.054 . . . . 35.67 102.755 176.36 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -136.52 161.09 36.83 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 115.453 -0.794 . . . . 43.88 109.449 178.914 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -162.29 165.12 16.16 Favored Pre-proline 0 N--CA 1.426 -1.625 0 N-CA-C 105.392 -2.077 . . . . 66.09 105.392 -174.6 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -82.86 140.42 10.22 Favored 'Trans proline' 0 N--CA 1.442 -1.547 0 O-C-N 123.885 1.466 . . . . 44.81 112.98 -173.726 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -80.71 -172.29 3.56 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.457 1.723 . . . . 55.57 110.67 164.28 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.103 0 C-N-CA 124.536 1.134 . . . . 70.36 112.587 170.261 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 37.1 t0 . . . . . 0 CA--C 1.603 2.99 0 N-CA-C 115.677 1.732 . . . . 58.14 115.677 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -78.14 -2.64 4.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 N-CA-C 116.284 1.957 . . . . 54.97 116.284 -176.31 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -102.48 1.53 35.27 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 113.789 1.033 . . . . 59.9 113.789 -173.806 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.61 -146.09 20.18 Favored Glycine 0 CA--C 1.557 2.708 0 N-CA-C 109.4 -1.48 . . . . 50.66 109.4 173.86 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -73.4 162.99 28.69 Favored 'General case' 0 CA--C 1.48 -1.712 0 N-CA-C 105.423 -2.066 . . . . 51.39 105.423 -169.449 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLU . . . . . 0.455 ' HB2' ' O ' ' B' ' 102' ' ' HOH . 2.5 mt-10 -59.67 -41.18 90.07 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 124.199 0.937 . . . . 70.0 111.97 -174.411 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 64.2 mt -62.44 -53.75 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 CA-C-O 121.249 0.547 . . . . 39.31 112.321 -178.464 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 52.7 m -54.11 -39.1 66.08 Favored 'General case' 0 C--O 1.257 1.474 0 CA-C-O 117.849 -1.072 . . . . 36.57 112.082 175.062 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.05 -52.12 61.91 Favored 'General case' 0 C--O 1.277 2.55 0 O-C-N 124.775 1.297 . . . . 40.63 111.077 173.747 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 48.6 t -58.63 -44.21 89.1 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.683 0 CA-C-O 122.413 1.101 . . . . 38.04 111.4 -179.71 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 86.6 t -74.44 -33.54 33.52 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.958 0 CA-C-O 116.346 -1.787 . . . . 40.32 110.073 -173.776 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 60.6 p -57.92 -24.76 59.23 Favored 'General case' 1 N--CA 1.542 4.137 0 CA-C-N 120.241 1.382 . . . . 43.04 113.473 -178.911 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 10.3 mtmm -86.21 -2.9 58.79 Favored 'General case' 0 C--O 1.245 0.834 0 N-CA-C 115.924 1.824 . . . . 64.21 115.924 179.355 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 63.9 mt -92.95 102.74 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 N-CA-C 108.088 -1.079 . . . . 43.58 108.088 178.332 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . . . -52.6 -43.85 65.6 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 112.488 0.551 . . . . 50.46 112.488 -166.187 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -74.77 -9.27 58.4 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 114.05 1.13 . . . . 58.95 114.05 -173.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 86.5 t -82.14 122.77 37.39 Favored 'Isoleucine or valine' 0 C--O 1.251 1.142 0 N-CA-C 107.908 -1.145 . . . . 40.65 107.908 169.513 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 17.6 mttm -90.62 -18.66 24.77 Favored 'General case' 0 CA--C 1.568 1.635 0 N-CA-C 117.006 2.225 . . . . 72.14 117.006 171.874 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -178.91 168.45 39.35 Favored Glycine 0 N--CA 1.507 3.408 0 O-C-N 121.577 -0.702 . . . . 36.34 112.317 179.406 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 71.1 mt -118.16 113.99 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.269 0 N-CA-C 102.08 -3.304 . . . . 41.84 102.08 173.857 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 95.0 p -74.62 -26.1 59.67 Favored 'General case' 0 C--O 1.25 1.08 0 N-CA-C 114.51 1.3 . . . . 40.74 114.51 174.773 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' B' ' 123' ' ' HOH . 0.0 OUTLIER -156.41 129.32 7.88 Favored 'General case' 0 CA--C 1.559 1.294 0 CA-C-O 123.428 1.585 . . . . 57.0 110.5 -174.558 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 11.9 tp -127.26 121.15 30.37 Favored 'General case' 0 C--O 1.264 1.86 0 N-CA-C 106.426 -1.694 . . . . 38.94 106.426 176.317 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -121.18 120.82 36.34 Favored 'General case' 0 C--O 1.258 1.543 0 O-C-N 125.003 1.439 . . . . 57.97 108.587 177.33 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 69.5 p -126.38 148.67 49.56 Favored 'General case' 0 N--CA 1.521 3.102 0 C-N-CA 119.139 -1.025 . . . . 39.33 110.994 176.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ARG . . . . . 0.669 ' NH1' ' O ' ' B' ' 101' ' ' HOH . 0.0 OUTLIER -125.72 134.1 51.9 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 104.28 -2.489 . . . . 70.38 104.28 -178.428 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 25.0 m-70 -128.69 121.7 29.13 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 116.31 -0.405 . . . . 45.1 111.522 -177.099 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . . . -121.35 105.58 16.87 Favored 'Isoleucine or valine' 0 C--O 1.241 0.652 0 N-CA-C 104.459 -2.423 . . . . 58.78 104.459 169.316 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 46.16 -122.69 6.31 Favored Glycine 0 CA--C 1.569 3.448 0 O-C-N 124.476 1.11 . . . . 54.4 114.037 -161.686 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . . . -77.58 -19.21 55.99 Favored 'General case' 0 C--O 1.26 1.657 0 N-CA-C 116.414 2.005 . . . . 48.19 116.414 175.003 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . . . -74.29 132.75 42.36 Favored 'General case' 0 C--O 1.253 1.267 0 O-C-N 123.671 0.607 . . . . 43.73 111.806 -175.445 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 34.2 mt -117.71 127.98 74.97 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 O-C-N 125.381 1.676 . . . . 38.4 112.183 -174.517 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' TRP . . . . . 0.474 ' CD1' ' HG3' ' B' ' 69' ' ' ARG . 12.9 m-90 -114.21 121.47 43.84 Favored 'General case' 0 C--O 1.242 0.673 0 N-CA-C 102.427 -3.175 . . . . 64.2 102.427 167.301 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -119.92 146.61 45.63 Favored 'General case' 0 CA--C 1.548 0.897 0 O-C-N 125.264 1.602 . . . . 32.24 113.988 -178.07 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -136.48 124.27 22.55 Favored 'General case' 0 C--O 1.245 0.826 0 N-CA-C 107.947 -1.131 . . . . 52.06 107.947 169.936 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' LEU . . . . . 0.467 HD21 HD11 ' B' ' 60' ' ' LEU . 0.0 OUTLIER -124.24 156.24 37.19 Favored 'General case' 0 C--N 1.361 1.107 0 C-N-CA 120.359 -0.536 . . . . 48.96 109.868 -178.023 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 37' ' ' ASN . . . . . 0.413 ' OD1' ' HG2' ' B' ' 75' ' ' GLU . 3.2 t-20 -127.56 111.12 13.41 Favored 'General case' 0 N--CA 1.411 -2.378 0 N-CA-C 105.819 -1.919 . . . . 62.5 105.819 170.516 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 45.4 pt -95.32 155.83 3.27 Favored 'Isoleucine or valine' 0 C--O 1.261 1.663 0 CA-C-N 115.579 -0.737 . . . . 41.3 112.425 177.065 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 70.4 mt -105.26 131.63 52.47 Favored 'General case' 0 CA--C 1.492 -1.258 0 N-CA-C 107.374 -1.343 . . . . 42.05 107.374 176.787 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 23.4 m -127.92 166.32 25.21 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.887 0 N-CA-C 106.975 -1.491 . . . . 41.32 106.975 178.495 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -51.75 125.64 30.1 Favored Pre-proline 0 N--CA 1.493 1.723 0 CA-C-N 120.296 1.407 . . . . 68.88 109.102 178.984 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_exo -69.13 -17.71 40.31 Favored 'Trans proline' 0 C--N 1.348 0.538 0 N-CA-C 115.821 1.431 . . . . 51.63 115.821 -172.253 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -91.64 9.94 30.2 Favored 'General case' 0 N--CA 1.433 -1.296 0 O-C-N 123.136 0.272 . . . . 68.3 111.667 170.615 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 72.1 m -62.4 153.0 32.58 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 106.708 -1.59 . . . . 52.36 106.708 166.581 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 28.8 p -72.26 165.34 24.63 Favored 'General case' 0 CA--C 1.561 1.389 0 N-CA-C 109.154 -0.684 . . . . 44.68 109.154 166.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 74.8 mt -66.03 -42.63 91.97 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 CA-C-N 116.523 -0.308 . . . . 44.24 110.368 175.872 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 7.5 p -60.31 -43.36 93.48 Favored 'Isoleucine or valine' 0 CA--C 1.581 2.166 0 CA-C-O 118.275 -0.869 . . . . 44.52 113.014 171.802 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -51.87 -47.81 64.32 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 115.897 1.814 . . . . 43.6 115.897 168.93 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -56.26 -49.37 68.71 Favored Glycine 0 C--O 1.258 1.598 0 CA-C-O 118.599 -1.112 . . . . 32.69 113.067 171.926 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -55.69 -46.12 77.69 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 122.22 1.01 . . . . 59.1 113.432 175.927 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 40.5 m -55.06 -46.83 75.43 Favored 'General case' 0 N--CA 1.425 -1.696 0 CA-C-N 114.863 -1.062 . . . . 33.71 113.366 175.112 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 40.8 mt -64.3 -46.86 91.98 Favored 'Isoleucine or valine' 0 C--O 1.255 1.389 0 N-CA-C 112.744 0.646 . . . . 42.09 112.744 176.5 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.14 -46.37 65.38 Favored 'General case' 0 C--O 1.273 2.328 0 N-CA-C 115.0 1.481 . . . . 27.37 115.0 170.899 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.52 -39.75 84.89 Favored 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 117.528 2.418 . . . . 37.01 117.528 171.656 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -55.69 -47.19 77.19 Favored 'General case' 0 N--CA 1.421 -1.917 0 C-N-CA 125.593 1.557 . . . . 46.87 109.756 173.543 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 51.7 t -68.74 -46.05 80.17 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.17 0 N-CA-C 109.225 -0.657 . . . . 36.26 109.225 -176.406 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' LYS . . . . . 0.458 ' O ' HG23 ' B' ' 61' ' ' THR . 67.6 tttt -51.54 -51.89 51.52 Favored 'General case' 0 C--O 1.254 1.305 0 N-CA-C 114.218 1.192 . . . . 44.85 114.218 175.385 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -54.89 -52.54 62.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.434 -1.257 . . . . 47.57 111.59 177.86 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -53.67 -42.64 68.13 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 113.181 0.808 . . . . 35.41 113.181 176.321 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' LEU . . . . . 0.467 HD11 HD21 ' B' ' 36' ' ' LEU . 46.0 mt -71.34 -45.3 63.29 Favored 'General case' 0 CA--C 1.461 -2.479 0 O-C-N 123.822 0.701 . . . . 35.4 110.16 -175.264 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 61' ' ' THR . . . . . 0.458 HG23 ' O ' ' B' ' 57' ' ' LYS . 81.5 p -69.54 -32.95 72.07 Favored 'General case' 0 CA--C 1.573 1.864 0 C-N-CA 117.902 -1.519 . . . . 44.67 113.186 -174.796 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . 0.255 4.7 pt-20 -81.41 -30.02 33.71 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 117.038 2.236 . . . . 60.53 117.038 171.585 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -88.07 -13.94 40.17 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 119.469 1.031 . . . . 47.89 112.891 -176.683 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 75.2 mt -130.25 131.64 65.5 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.456 0 N-CA-C 109.344 -0.613 . . . . 46.82 109.344 -173.615 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -95.31 141.56 28.74 Favored 'General case' 0 CA--C 1.551 0.989 0 O-C-N 126.338 2.273 . . . . 70.5 110.061 -168.233 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 74.97 27.63 1.15 Allowed 'General case' 0 C--O 1.205 -1.237 0 C-N-CA 123.877 0.871 . . . . 56.27 110.993 178.502 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 20.8 mm -77.59 110.56 13.41 Favored 'Isoleucine or valine' 0 C--O 1.258 1.514 0 CA-C-O 122.444 1.116 . . . . 52.77 111.501 163.364 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -78.52 -52.51 8.41 Favored 'General case' 0 C--O 1.254 1.326 0 CA-C-N 111.91 -2.404 . . . . 79.72 108.033 171.837 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' ARG . . . . . 0.474 ' HG3' ' CD1' ' B' ' 33' ' ' TRP . 2.4 mtp180 -141.44 137.81 32.45 Favored 'General case' 0 N--CA 1.483 1.186 0 O-C-N 123.977 0.798 . . . . 76.07 112.845 -173.231 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 p -144.41 122.52 5.97 Favored 'Isoleucine or valine' 0 C--O 1.289 3.162 0 CA-C-O 123.271 1.51 . . . . 37.19 111.53 172.205 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' VAL . . . . . . . . . . . . . 39.4 t -118.26 137.91 50.66 Favored 'Isoleucine or valine' 0 C--O 1.275 2.404 0 CA-C-N 114.343 -1.299 . . . . 36.58 107.668 173.168 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 87.5 t -125.4 123.0 64.01 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.979 0 N-CA-C 107.476 -1.305 . . . . 31.99 107.476 -178.496 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -110.65 154.41 23.86 Favored 'General case' 0 CA--C 1.462 -2.425 0 O-C-N 125.692 1.87 . . . . 34.19 106.323 177.349 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -124.76 161.04 27.28 Favored 'General case' 0 C--O 1.204 -1.341 0 N-CA-C 107.109 -1.441 . . . . 47.7 107.109 179.939 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' GLU . . . . . 0.413 ' HG2' ' OD1' ' B' ' 37' ' ' ASN . 32.4 mm-40 -157.88 155.3 26.34 Favored Pre-proline 0 C--O 1.272 2.276 0 N-CA-C 104.457 -2.423 . . . . 76.55 104.457 -169.841 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 76' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_endo -63.9 142.72 83.22 Favored 'Trans proline' 0 C--N 1.368 1.56 0 O-C-N 126.039 2.6 . . . . 71.17 111.431 178.596 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.033 0 O-C-N 123.684 0.615 . . . . 71.06 112.193 161.508 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' HOH . . . . . 0.669 ' O ' ' NH1' ' B' ' 26' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 102' ' ' HOH . . . . . 0.455 ' O ' ' HB2' ' B' ' 6' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 123' ' ' HOH . . . . . 0.424 ' O ' ' HG2' ' B' ' 22' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 68.1 t0 . . . . . 0 N--CA 1.502 2.127 0 N-CA-C 108.875 -0.787 . . . . 71.650000000000006 108.875 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.9 mt -56.14 -53.92 33.52 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 CA-C-N 113.982 -1.463 . . . . 68.0 114.106 179.81 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -69.18 -35.5 76.35 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 122.235 -0.291 . . . . 74.140000000000001 111.118 -179.827 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.63 -58.62 4.03 Favored Glycine 0 N--CA 1.48 1.611 0 CA-C-O 122.23 0.905 . . . . 56.799999999999997 113.072 172.802 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -61.61 -46.04 91.49 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 113.749 -1.225 . . . . 65.530000000000001 111.712 177.801 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -60.58 -44.69 95.92 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 123.404 0.44 . . . . 63.770000000000003 111.364 -178.22 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 88.7 mt -58.84 -54.85 28.05 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.741 0 N-CA-C 112.951 0.722 . . . . 46.619999999999997 112.951 174.912 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.2 m -52.4 -38.44 58.99 Favored 'General case' 0 C--O 1.243 0.718 0 O-C-N 123.837 0.71 . . . . 49.579999999999998 110.985 178.113 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.65 -49.55 70.57 Favored 'General case' 0 C--O 1.246 0.894 0 O-C-N 124.567 1.167 . . . . 47.740000000000002 110.802 -175.418 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.3 t -61.61 -41.89 92.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 N-CA-C 114.985 1.476 . . . . 53.130000000000003 114.985 176.963 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.486 ' CG1' HG11 ' A' ' 17' ' ' VAL . 94.1 t -71.74 -39.55 68.8 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 N-CA-C 105.895 -1.891 . . . . 52.140000000000001 105.895 -173.989 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.5 p -42.13 -29.5 0.24 Allowed 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 115.433 1.642 . . . . 54.899999999999999 115.433 174.251 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.0 mttm -104.05 12.79 33.65 Favored 'General case' 0 CA--C 1.506 -0.721 0 N-CA-C 114.005 1.113 . . . . 73.150000000000006 114.005 -176.557 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.4 mt -98.34 122.84 50.44 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.546 0 N-CA-C 106.935 -1.506 . . . . 48.200000000000003 106.935 -177.304 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.2 pm0 -59.11 143.49 48.51 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 119.818 -0.753 . . . . 76.719999999999999 109.657 -177.545 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 31.6 m120 75.74 2.54 3.74 Favored 'General case' 0 C--O 1.248 1.021 0 N-CA-C 115.914 1.82 . . . . 56.030000000000001 115.914 175.238 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.486 HG11 ' CG1' ' A' ' 11' ' ' VAL . 78.9 t -90.47 109.7 21.14 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 N-CA-C 107.572 -1.269 . . . . 42.460000000000001 107.572 169.237 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -83.29 -14.61 52.68 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 121.876 -0.515 . . . . 57.789999999999999 111.685 -175.194 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 172.6 171.85 37.79 Favored Glycine 0 C--O 1.279 2.935 0 O-C-N 120.858 -1.151 . . . . 37.509999999999998 111.27 -179.786 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 46.5 mt -115.02 120.74 65.44 Favored 'Isoleucine or valine' 0 C--O 1.248 1.009 0 N-CA-C 108.714 -0.847 . . . . 48.909999999999997 108.714 170.076 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 72.4 p -84.57 -37.44 21.17 Favored 'General case' 0 CA--C 1.557 1.214 0 O-C-N 124.672 1.233 . . . . 43.590000000000003 112.553 -179.721 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -143.74 124.75 14.39 Favored 'General case' 0 N--CA 1.42 -1.964 0 C-N-CA 125.022 1.329 . . . . 67.400000000000006 111.3 -173.56 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 66.3 tp -125.97 123.13 37.82 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-O 118.952 -0.546 . . . . 41.579999999999998 112.064 167.219 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.412 ' HG3' ' CE1' ' B' ' 27' ' ' HIS . 6.5 ttpt -124.25 124.91 43.45 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 105.913 -1.884 . . . . 52.700000000000003 105.913 176.023 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 64.7 p -120.32 134.82 55.19 Favored 'General case' 0 CA--C 1.503 -0.845 0 N-CA-C 107.206 -1.405 . . . . 40.909999999999997 107.206 172.198 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.438 ' CD ' HD11 ' A' ' 28' ' ' ILE . 1.0 OUTLIER -120.24 133.5 55.46 Favored 'General case' 0 CA--C 1.555 1.139 0 N-CA-C 107.597 -1.261 . . . . 52.810000000000002 107.597 173.581 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -90.36 117.9 29.44 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 107.154 -1.425 . . . . 55.780000000000001 107.154 -179.069 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.438 HD11 ' CD ' ' A' ' 26' ' ' ARG . 45.1 mm -123.17 96.29 3.91 Favored 'Isoleucine or valine' 0 C--O 1.245 0.864 0 N-CA-C 106.735 -1.58 . . . . 61.32 106.735 -179.685 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.78 -125.97 26.26 Favored Glycine 0 N--CA 1.467 0.737 0 N-CA-C 107.933 -2.067 . . . . 58.649999999999999 107.933 -166.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 16.5 mp0 -108.31 18.41 21.07 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 120.175 -0.61 . . . . 75.019999999999996 112.342 171.925 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.1 mttp -106.78 163.55 12.84 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 121.872 0.844 . . . . 77.260000000000005 113.153 166.152 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.1 mm -122.94 133.81 67.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 CA-C-N 114.605 -1.179 . . . . 54.619999999999997 108.369 -166.647 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.429 ' CD1' ' HB2' ' A' ' 69' ' ' ARG . 48.8 m0 -112.26 129.68 56.19 Favored 'General case' 0 CA--C 1.5 -0.969 0 N-CA-C 107.351 -1.352 . . . . 48.200000000000003 107.351 167.686 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -129.04 147.23 50.88 Favored 'General case' 0 C--O 1.267 2.025 0 CA-C-O 123.128 1.442 . . . . 37.939999999999998 110.266 -168.621 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 73.6 tt0 -143.7 122.28 12.5 Favored 'General case' 0 CA--C 1.564 1.497 0 N-CA-C 108.006 -1.109 . . . . 54.810000000000002 108.006 -178.704 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.9 mp -126.64 147.45 49.92 Favored 'General case' 0 CA--C 1.496 -1.114 0 O-C-N 124.266 0.979 . . . . 44.020000000000003 109.243 -172.104 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -119.47 122.69 42.28 Favored 'General case' 0 CA--C 1.505 -0.779 0 N-CA-C 101.705 -3.443 . . . . 49.960000000000001 101.705 169.291 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.8 pt -108.47 157.8 8.56 Favored 'Isoleucine or valine' 0 C--O 1.272 2.259 0 N-CA-C 106.049 -1.834 . . . . 35.270000000000003 106.049 -174.067 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.3 mt -103.92 128.47 51.42 Favored 'General case' 0 C--O 1.212 -0.888 0 CA-C-N 114.077 -1.419 . . . . 45.890000000000001 109.808 -178.854 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.2 t -133.19 154.7 39.84 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.795 0 N-CA-C 106.9 -1.518 . . . . 49.810000000000002 106.9 -177.343 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -39.96 121.17 1.53 Allowed Pre-proline 0 N--CA 1.475 0.804 0 N-CA-C 113.925 1.083 . . . . 52.280000000000001 113.925 171.865 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -59.77 -28.33 87.02 Favored 'Trans proline' 0 CA--C 1.558 1.716 0 N-CA-C 115.08 1.146 . . . . 48.700000000000003 115.08 179.327 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -86.52 -3.42 59.01 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 118.616 2.821 . . . . 66.689999999999998 118.616 178.34 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.4 m -69.77 161.31 30.05 Favored 'General case' 0 C--O 1.254 1.306 0 C-N-CA 120.346 -0.542 . . . . 49.5 111.021 168.504 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 31.3 p -84.85 161.15 20.01 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 108.852 -0.795 . . . . 41.520000000000003 108.852 176.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.7 mt -57.43 -41.53 78.83 Favored 'Isoleucine or valine' 0 C--O 1.262 1.713 0 CA-C-N 113.56 -1.655 . . . . 47.520000000000003 112.524 179.496 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . 0.335 4.6 p -62.93 -40.11 87.66 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.432 0 C-N-CA 117.795 -1.562 . . . . 36.670000000000002 109.468 178.963 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -65.54 -34.71 78.9 Favored 'General case' 0 CA--C 1.558 1.272 0 CA-C-N 119.937 1.244 . . . . 46.039999999999999 112.092 175.207 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -63.92 -45.45 94.07 Favored Glycine 0 CA--C 1.489 -1.532 0 CA-C-N 115.648 -0.705 . . . . 36.310000000000002 111.491 175.14 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -63.25 -37.17 86.2 Favored 'General case' 0 CA--C 1.557 1.228 0 C-N-CA 120.524 -0.47 . . . . 59.159999999999997 110.151 -179.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 57.1 m -57.15 -48.67 78.12 Favored 'General case' 0 C--O 1.253 1.264 0 CA-C-O 121.785 0.802 . . . . 46.0 110.309 173.77 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 60.3 mt -66.18 -49.93 72.47 Favored 'Isoleucine or valine' 0 C--O 1.254 1.301 0 C-N-CA 119.618 -0.833 . . . . 39.140000000000001 109.322 -179.589 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.59 -39.43 67.82 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 118.837 -1.145 . . . . 35.899999999999999 112.173 178.398 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.3 t -65.78 -41.21 92.26 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 118.519 -1.272 . . . . 45.780000000000001 113.733 177.536 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 39.8 mtt180 -50.22 -40.25 46.89 Favored 'General case' 0 CA--C 1.496 -1.097 0 N-CA-C 114.683 1.364 . . . . 65.040000000000006 114.683 168.714 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 47.2 t -69.27 -45.43 79.26 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.088 0 N-CA-C 114.123 1.157 . . . . 36.509999999999998 114.123 176.094 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -58.28 -47.55 83.27 Favored 'General case' 0 CA--C 1.571 1.76 0 C-N-CA 123.407 0.683 . . . . 57.759999999999998 109.922 179.753 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -61.03 -48.92 79.54 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 117.181 2.289 . . . . 56.509999999999998 117.181 171.799 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.32 -43.0 78.54 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 118.856 -1.137 . . . . 37.740000000000002 108.525 -179.574 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.4 mt -70.32 -39.24 74.87 Favored 'General case' 0 C--O 1.26 1.656 0 N-CA-C 116.69 2.108 . . . . 42.920000000000002 116.69 -177.041 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.0 m -64.13 -31.04 72.09 Favored 'General case' 0 CA--C 1.569 1.694 0 CA-C-O 121.496 0.665 . . . . 60.960000000000001 111.359 -179.316 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -85.87 -47.14 9.95 Favored 'General case' 0 CA--C 1.491 -1.291 0 C-N-CA 124.534 1.134 . . . . 54.789999999999999 110.703 -173.139 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -81.15 -20.89 40.34 Favored 'General case' 0 C--O 1.237 0.434 0 O-C-N 123.996 0.81 . . . . 50.299999999999997 112.789 -172.905 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 36.3 mt -126.06 88.44 1.27 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.507 0 N-CA-C 105.156 -2.164 . . . . 68.810000000000002 105.156 176.443 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . . . -68.25 -16.36 63.93 Favored 'General case' 0 CA--C 1.569 1.679 0 N-CA-C 114.782 1.401 . . . . 65.620000000000005 114.782 179.894 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . . . -55.41 -34.67 64.6 Favored 'General case' 0 N--CA 1.507 2.408 0 N-CA-C 113.517 0.932 . . . . 58.259999999999998 113.517 166.949 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 19.2 mt -71.13 111.36 4.89 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 114.988 -1.005 . . . . 65.829999999999998 110.532 177.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -77.24 -38.37 51.26 Favored 'General case' 0 C--O 1.247 0.966 0 N-CA-C 113.728 1.01 . . . . 61.390000000000001 113.728 174.475 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.429 ' HB2' ' CD1' ' A' ' 33' ' ' TRP . 16.2 mtp180 -144.06 131.72 21.23 Favored 'General case' 0 C--O 1.251 1.154 0 N-CA-C 105.485 -2.043 . . . . 83.439999999999998 105.485 -163.533 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.5 p -140.75 128.58 23.34 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 O-C-N 124.463 1.102 . . . . 46.119999999999997 112.384 177.33 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 23.1 t -117.46 136.68 53.84 Favored 'Isoleucine or valine' 0 C--O 1.246 0.893 0 C-N-CA 123.86 0.864 . . . . 41.759999999999998 109.252 170.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.9 t -127.49 128.87 70.26 Favored 'Isoleucine or valine' 0 C--O 1.249 1.054 0 N-CA-C 104.348 -2.464 . . . . 35.689999999999998 104.348 -177.23 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -119.84 158.83 25.81 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 102.755 -3.054 . . . . 35.670000000000002 102.755 176.36 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -136.52 161.09 36.83 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 115.453 -0.794 . . . . 43.880000000000003 109.449 178.914 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -162.29 165.12 16.16 Favored Pre-proline 0 N--CA 1.426 -1.625 0 N-CA-C 105.392 -2.077 . . . . 66.090000000000003 105.392 -174.6 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -82.86 140.42 10.22 Favored 'Trans proline' 0 N--CA 1.442 -1.547 0 O-C-N 123.885 1.466 . . . . 44.810000000000002 112.98 -173.726 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -80.71 -172.29 3.56 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.457 1.723 . . . . 55.57 110.67 164.28 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.103 0 C-N-CA 124.536 1.134 . . . . 70.359999999999999 112.587 170.261 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 37.1 t0 . . . . . 0 CA--C 1.603 2.99 0 N-CA-C 115.677 1.732 . . . . 58.140000000000001 115.677 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -78.14 -2.64 4.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 N-CA-C 116.284 1.957 . . . . 54.969999999999999 116.284 -176.31 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -102.48 1.53 35.27 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 113.789 1.033 . . . . 59.899999999999999 113.789 -173.806 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.61 -146.09 20.18 Favored Glycine 0 CA--C 1.557 2.708 0 N-CA-C 109.4 -1.48 . . . . 50.659999999999997 109.4 173.86 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -73.4 162.99 28.69 Favored 'General case' 0 CA--C 1.48 -1.712 0 N-CA-C 105.423 -2.066 . . . . 51.390000000000001 105.423 -169.449 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.455 ' HB2' ' O ' ' B' ' 102' ' ' HOH . 2.5 mt-10 -59.67 -41.18 90.07 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 124.199 0.937 . . . . 70.0 111.97 -174.411 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 64.2 mt -62.44 -53.75 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 CA-C-O 121.249 0.547 . . . . 39.310000000000002 112.321 -178.464 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 52.7 m -54.11 -39.1 66.08 Favored 'General case' 0 C--O 1.257 1.474 0 CA-C-O 117.849 -1.072 . . . . 36.57 112.082 175.062 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.05 -52.12 61.91 Favored 'General case' 0 C--O 1.277 2.55 0 O-C-N 124.775 1.297 . . . . 40.630000000000003 111.077 173.747 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 48.6 t -58.63 -44.21 89.1 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.683 0 CA-C-O 122.413 1.101 . . . . 38.039999999999999 111.4 -179.71 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 86.6 t -74.44 -33.54 33.52 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.958 0 CA-C-O 116.346 -1.787 . . . . 40.32 110.073 -173.776 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 60.6 p -57.92 -24.76 59.23 Favored 'General case' 1 N--CA 1.542 4.137 0 CA-C-N 120.241 1.382 . . . . 43.039999999999999 113.473 -178.911 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 10.3 mtmm -86.21 -2.9 58.79 Favored 'General case' 0 C--O 1.245 0.834 0 N-CA-C 115.924 1.824 . . . . 64.209999999999994 115.924 179.355 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 63.9 mt -92.95 102.74 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 N-CA-C 108.088 -1.079 . . . . 43.579999999999998 108.088 178.332 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . . . -52.6 -43.85 65.6 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 112.488 0.551 . . . . 50.460000000000001 112.488 -166.187 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -74.77 -9.27 58.4 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 114.05 1.13 . . . . 58.950000000000003 114.05 -173.951 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 86.5 t -82.14 122.77 37.39 Favored 'Isoleucine or valine' 0 C--O 1.251 1.142 0 N-CA-C 107.908 -1.145 . . . . 40.649999999999999 107.908 169.513 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 17.6 mttm -90.62 -18.66 24.77 Favored 'General case' 0 CA--C 1.568 1.635 0 N-CA-C 117.006 2.225 . . . . 72.140000000000001 117.006 171.874 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -178.91 168.45 39.35 Favored Glycine 0 N--CA 1.507 3.408 0 O-C-N 121.577 -0.702 . . . . 36.340000000000003 112.317 179.406 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 71.1 mt -118.16 113.99 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.269 0 N-CA-C 102.08 -3.304 . . . . 41.840000000000003 102.08 173.857 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 95.0 p -74.62 -26.1 59.67 Favored 'General case' 0 C--O 1.25 1.08 0 N-CA-C 114.51 1.3 . . . . 40.740000000000002 114.51 174.773 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' B' ' 123' ' ' HOH . 2.3 tp60 -156.41 129.32 7.88 Favored 'General case' 0 CA--C 1.559 1.294 0 CA-C-O 123.428 1.585 . . . . 57.0 110.5 -174.558 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 11.9 tp -127.26 121.15 30.37 Favored 'General case' 0 C--O 1.264 1.86 0 N-CA-C 106.426 -1.694 . . . . 38.939999999999998 106.426 176.317 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -121.18 120.82 36.34 Favored 'General case' 0 C--O 1.258 1.543 0 O-C-N 125.003 1.439 . . . . 57.969999999999999 108.587 177.33 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' THR . . . . . 0.451 ' OG1' ' HE1' ' B' ' 27' ' ' HIS . 69.5 p -126.38 148.67 49.56 Favored 'General case' 0 N--CA 1.521 3.102 0 C-N-CA 119.139 -1.025 . . . . 39.329999999999998 110.994 176.676 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.669 ' NH1' ' O ' ' B' ' 101' ' ' HOH . 0.0 OUTLIER -125.72 134.1 51.9 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 104.28 -2.489 . . . . 70.379999999999995 104.28 -178.428 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' HIS . . . . . 0.451 ' HE1' ' OG1' ' B' ' 25' ' ' THR . 34.4 m80 -128.69 121.7 29.13 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 116.31 -0.405 . . . . 45.100000000000001 111.522 -177.099 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . . . -121.35 105.58 16.87 Favored 'Isoleucine or valine' 0 C--O 1.241 0.652 0 N-CA-C 104.459 -2.423 . . . . 58.780000000000001 104.459 169.316 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 46.16 -122.69 6.31 Favored Glycine 0 CA--C 1.569 3.448 0 O-C-N 124.476 1.11 . . . . 54.399999999999999 114.037 -161.686 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . . . -77.58 -19.21 55.99 Favored 'General case' 0 C--O 1.26 1.657 0 N-CA-C 116.414 2.005 . . . . 48.189999999999998 116.414 175.003 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . . . -74.29 132.75 42.36 Favored 'General case' 0 C--O 1.253 1.267 0 O-C-N 123.671 0.607 . . . . 43.729999999999997 111.806 -175.445 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 34.2 mt -117.71 127.98 74.97 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 O-C-N 125.381 1.676 . . . . 38.399999999999999 112.183 -174.517 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' TRP . . . . . 0.474 ' CD1' ' HG3' ' B' ' 69' ' ' ARG . 12.9 m-90 -114.21 121.47 43.84 Favored 'General case' 0 C--O 1.242 0.673 0 N-CA-C 102.427 -3.175 . . . . 64.200000000000003 102.427 167.301 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -119.92 146.61 45.63 Favored 'General case' 0 CA--C 1.548 0.897 0 O-C-N 125.264 1.602 . . . . 32.240000000000002 113.988 -178.07 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -136.48 124.27 22.55 Favored 'General case' 0 C--O 1.245 0.826 0 N-CA-C 107.947 -1.131 . . . . 52.060000000000002 107.947 169.936 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.467 HD21 HD11 ' B' ' 60' ' ' LEU . 0.0 OUTLIER -124.24 156.24 37.19 Favored 'General case' 0 C--N 1.361 1.107 0 C-N-CA 120.359 -0.536 . . . . 48.960000000000001 109.868 -178.023 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.413 ' OD1' ' HG2' ' B' ' 75' ' ' GLU . 3.2 t-20 -127.56 111.12 13.41 Favored 'General case' 0 N--CA 1.411 -2.378 0 N-CA-C 105.819 -1.919 . . . . 62.5 105.819 170.516 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 45.4 pt -95.32 155.83 3.27 Favored 'Isoleucine or valine' 0 C--O 1.261 1.663 0 CA-C-N 115.579 -0.737 . . . . 41.299999999999997 112.425 177.065 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 70.4 mt -105.26 131.63 52.47 Favored 'General case' 0 CA--C 1.492 -1.258 0 N-CA-C 107.374 -1.343 . . . . 42.049999999999997 107.374 176.787 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 23.4 m -127.92 166.32 25.21 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.887 0 N-CA-C 106.975 -1.491 . . . . 41.32 106.975 178.495 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -51.75 125.64 30.1 Favored Pre-proline 0 N--CA 1.493 1.723 0 CA-C-N 120.296 1.407 . . . . 68.879999999999995 109.102 178.984 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_exo -69.13 -17.71 40.31 Favored 'Trans proline' 0 C--N 1.348 0.538 0 N-CA-C 115.821 1.431 . . . . 51.630000000000003 115.821 -172.253 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -91.64 9.94 30.2 Favored 'General case' 0 N--CA 1.433 -1.296 0 O-C-N 123.136 0.272 . . . . 68.299999999999997 111.667 170.615 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 72.1 m -62.4 153.0 32.58 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 106.708 -1.59 . . . . 52.359999999999999 106.708 166.581 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 28.8 p -72.26 165.34 24.63 Favored 'General case' 0 CA--C 1.561 1.389 0 N-CA-C 109.154 -0.684 . . . . 44.68 109.154 166.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 74.8 mt -66.03 -42.63 91.97 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 CA-C-N 116.523 -0.308 . . . . 44.240000000000002 110.368 175.872 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 7.5 p -60.31 -43.36 93.48 Favored 'Isoleucine or valine' 0 CA--C 1.581 2.166 0 CA-C-O 118.275 -0.869 . . . . 44.520000000000003 113.014 171.802 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -51.87 -47.81 64.32 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 115.897 1.814 . . . . 43.600000000000001 115.897 168.93 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -56.26 -49.37 68.71 Favored Glycine 0 C--O 1.258 1.598 0 CA-C-O 118.599 -1.112 . . . . 32.689999999999998 113.067 171.926 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -55.69 -46.12 77.69 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 122.22 1.01 . . . . 59.100000000000001 113.432 175.927 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 40.5 m -55.06 -46.83 75.43 Favored 'General case' 0 N--CA 1.425 -1.696 0 CA-C-N 114.863 -1.062 . . . . 33.710000000000001 113.366 175.112 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 40.8 mt -64.3 -46.86 91.98 Favored 'Isoleucine or valine' 0 C--O 1.255 1.389 0 N-CA-C 112.744 0.646 . . . . 42.090000000000003 112.744 176.5 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.14 -46.37 65.38 Favored 'General case' 0 C--O 1.273 2.328 0 N-CA-C 115.0 1.481 . . . . 27.370000000000001 115.0 170.899 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.52 -39.75 84.89 Favored 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 117.528 2.418 . . . . 37.009999999999998 117.528 171.656 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -55.69 -47.19 77.19 Favored 'General case' 0 N--CA 1.421 -1.917 0 C-N-CA 125.593 1.557 . . . . 46.869999999999997 109.756 173.543 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 51.7 t -68.74 -46.05 80.17 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.17 0 N-CA-C 109.225 -0.657 . . . . 36.259999999999998 109.225 -176.406 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' LYS . . . . . 0.458 ' O ' HG23 ' B' ' 61' ' ' THR . 67.6 tttt -51.54 -51.89 51.52 Favored 'General case' 0 C--O 1.254 1.305 0 N-CA-C 114.218 1.192 . . . . 44.850000000000001 114.218 175.385 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -54.89 -52.54 62.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.434 -1.257 . . . . 47.57 111.59 177.86 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -53.67 -42.64 68.13 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 113.181 0.808 . . . . 35.409999999999997 113.181 176.321 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.467 HD11 HD21 ' B' ' 36' ' ' LEU . 46.0 mt -71.34 -45.3 63.29 Favored 'General case' 0 CA--C 1.461 -2.479 0 O-C-N 123.822 0.701 . . . . 35.399999999999999 110.16 -175.264 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' THR . . . . . 0.458 HG23 ' O ' ' B' ' 57' ' ' LYS . 81.5 p -69.54 -32.95 72.07 Favored 'General case' 0 CA--C 1.573 1.864 0 C-N-CA 117.902 -1.519 . . . . 44.670000000000002 113.186 -174.796 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . 0.255 4.7 pt-20 -81.41 -30.02 33.71 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 117.038 2.236 . . . . 60.530000000000001 117.038 171.585 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -88.07 -13.94 40.17 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 119.469 1.031 . . . . 47.890000000000001 112.891 -176.683 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 75.2 mt -130.25 131.64 65.5 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.456 0 N-CA-C 109.344 -0.613 . . . . 46.82 109.344 -173.615 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -95.31 141.56 28.74 Favored 'General case' 0 CA--C 1.551 0.989 0 O-C-N 126.338 2.273 . . . . 70.5 110.061 -168.233 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 74.97 27.63 1.15 Allowed 'General case' 0 C--O 1.205 -1.237 0 C-N-CA 123.877 0.871 . . . . 56.270000000000003 110.993 178.502 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 20.8 mm -77.59 110.56 13.41 Favored 'Isoleucine or valine' 0 C--O 1.258 1.514 0 CA-C-O 122.444 1.116 . . . . 52.770000000000003 111.501 163.364 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -78.52 -52.51 8.41 Favored 'General case' 0 C--O 1.254 1.326 0 CA-C-N 111.91 -2.404 . . . . 79.719999999999999 108.033 171.837 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' ARG . . . . . 0.474 ' HG3' ' CD1' ' B' ' 33' ' ' TRP . 2.4 mtp180 -141.44 137.81 32.45 Favored 'General case' 0 N--CA 1.483 1.186 0 O-C-N 123.977 0.798 . . . . 76.069999999999993 112.845 -173.231 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 p -144.41 122.52 5.97 Favored 'Isoleucine or valine' 0 C--O 1.289 3.162 0 CA-C-O 123.271 1.51 . . . . 37.189999999999998 111.53 172.205 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' VAL . . . . . . . . . . . . . 39.4 t -118.26 137.91 50.66 Favored 'Isoleucine or valine' 0 C--O 1.275 2.404 0 CA-C-N 114.343 -1.299 . . . . 36.579999999999998 107.668 173.168 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 87.5 t -125.4 123.0 64.01 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.979 0 N-CA-C 107.476 -1.305 . . . . 31.989999999999998 107.476 -178.496 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -110.65 154.41 23.86 Favored 'General case' 0 CA--C 1.462 -2.425 0 O-C-N 125.692 1.87 . . . . 34.189999999999998 106.323 177.349 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -124.76 161.04 27.28 Favored 'General case' 0 C--O 1.204 -1.341 0 N-CA-C 107.109 -1.441 . . . . 47.700000000000003 107.109 179.939 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' GLU . . . . . 0.413 ' HG2' ' OD1' ' B' ' 37' ' ' ASN . 32.4 mm-40 -157.88 155.3 26.34 Favored Pre-proline 0 C--O 1.272 2.276 0 N-CA-C 104.457 -2.423 . . . . 76.549999999999997 104.457 -169.841 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_endo -63.9 142.72 83.22 Favored 'Trans proline' 0 C--N 1.368 1.56 0 O-C-N 126.039 2.6 . . . . 71.170000000000002 111.431 178.596 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.033 0 O-C-N 123.684 0.615 . . . . 71.060000000000002 112.193 161.508 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' HOH . . . . . 0.669 ' O ' ' NH1' ' B' ' 26' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' HOH . . . . . 0.455 ' O ' ' HB2' ' B' ' 6' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 123' ' ' HOH . . . . . 0.424 ' O ' ' HG2' ' B' ' 22' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_