data_1iv9_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1iv9 _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.675 0 N-CA-C 111.462 -0.655 . . . . 43.81 111.462 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -128.56 133.1 48.29 Favored 'General case' 0 CA--C 1.575 1.907 0 N-CA-C 108.597 -0.89 . . . . 61.96 108.597 -178.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -122.4 145.0 48.68 Favored 'General case' 0 C--O 1.266 1.964 0 CA-C-N 115.102 -0.954 . . . . 36.03 110.825 -171.266 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -150.69 161.12 43.22 Favored 'General case' 0 CA--C 1.583 2.238 0 N-CA-C 105.846 -1.909 . . . . 34.6 105.846 176.142 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.1 mt -96.21 134.91 32.06 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.676 0 N-CA-C 107.72 -1.215 . . . . 32.89 107.72 173.93 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.9 pt -120.06 156.02 22.92 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.054 0 N-CA-C 106.169 -1.789 . . . . 19.52 106.169 174.98 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -83.06 -168.88 2.25 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 124.726 1.267 . . . . 30.5 114.236 -176.238 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.2 pt -117.99 40.78 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.497 -1.064 0 C-N-CA 118.957 -1.097 . . . . 24.03 111.817 -170.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.74 -173.99 8.95 Favored Glycine 0 CA--C 1.572 3.649 0 CA-C-O 125.02 2.456 . . . . 16.19 112.496 170.431 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -57.99 -36.43 98.08 Favored 'Trans proline' 0 C--O 1.261 1.653 0 C-N-CA 121.623 1.549 . . . . 22.31 113.89 -173.813 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -59.39 -44.32 92.81 Favored 'General case' 0 C--N 1.308 -1.197 0 C-N-CA 116.246 -2.181 . . . . 25.99 110.692 176.416 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 85.5 m -71.18 -35.11 71.48 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.537 -0.756 . . . . 16.34 111.977 -178.497 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -67.7 -34.06 76.13 Favored 'General case' 0 C--O 1.256 1.408 0 C-N-CA 117.688 -1.605 . . . . 15.82 108.766 178.854 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -70.92 -27.54 63.85 Favored 'General case' 0 C--O 1.212 -0.89 0 O-C-N 124.325 1.015 . . . . 25.37 112.279 179.736 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.8 mt -67.13 -40.99 86.86 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 106.588 -1.634 . . . . 19.62 106.588 173.737 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.35 -47.66 89.75 Favored Glycine 0 C--O 1.247 0.925 0 C-N-CA 119.533 -1.318 . . . . 16.91 112.286 177.424 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.6 tttt -63.15 -39.55 94.99 Favored 'General case' 0 C--O 1.174 -2.872 0 N-CA-C 108.575 -0.898 . . . . 45.37 108.575 -179.025 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -54.58 -45.35 73.56 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-O 122.615 1.198 . . . . 20.58 109.465 175.045 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.34 -41.42 85.25 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 117.894 -1.523 . . . . 14.34 111.432 -173.98 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 42.4 t -68.4 -42.23 83.93 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.432 0 C-N-CA 119.563 -0.855 . . . . 17.93 109.83 -179.299 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -58.53 -44.81 89.72 Favored 'General case' 0 C--O 1.264 1.822 0 C-N-CA 117.711 -1.596 . . . . 22.5 112.336 176.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -61.59 -48.15 82.23 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.6 -0.889 . . . . 25.82 108.6 178.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -62.05 -36.01 80.34 Favored 'General case' 0 C--O 1.192 -1.925 0 C-N-CA 117.707 -1.597 . . . . 25.25 113.329 -178.578 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -63.48 -21.41 66.3 Favored 'General case' 0 C--N 1.31 -1.132 0 O-C-N 121.474 -0.766 . . . . 21.34 111.541 178.254 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -71.71 -26.31 62.44 Favored 'General case' 0 C--O 1.221 -0.43 0 C-N-CA 119.075 -1.05 . . . . 36.39 109.605 177.916 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.3 mt -81.09 -44.76 20.98 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.329 0 N-CA-C 108.116 -1.068 . . . . 30.44 108.116 -173.669 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.02 17.47 78.33 Favored Glycine 0 C--O 1.275 2.698 0 O-C-N 124.67 1.231 . . . . 16.98 114.221 173.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLN . . . . . 0.629 ' NE2' ' O ' ' A' ' 114' ' ' HOH . 11.4 mt-30 -76.69 -33.73 58.23 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 113.03 0.752 . . . . 33.51 113.03 174.419 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -93.03 153.32 18.78 Favored 'General case' 0 C--O 1.202 -1.42 0 CA-C-N 115.161 -0.927 . . . . 25.12 109.635 167.442 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -58.04 159.46 14.07 Favored Glycine 0 C--O 1.21 -1.379 0 N-CA-C 108.956 -1.658 . . . . 23.4 108.956 173.451 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.0 ttt-85 -50.75 132.02 26.14 Favored 'General case' 0 N--CA 1.42 -1.939 0 O-C-N 121.758 -0.848 . . . . 62.02 112.111 -177.598 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 42.5 mt -114.1 137.39 51.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.024 0.828 . . . . 27.31 109.754 -172.166 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 52.3 m -107.89 117.58 34.5 Favored 'General case' 0 CA--C 1.558 1.287 0 N-CA-C 105.915 -1.883 . . . . 25.11 105.915 177.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -57.15 129.06 40.09 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 113.416 0.895 . . . . 21.09 113.416 177.021 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -107.13 -63.68 1.27 Allowed 'General case' 0 CA--C 1.593 2.624 0 CA-C-O 122.663 1.221 . . . . 28.56 110.701 175.14 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 48.3 tttt -171.84 158.14 4.76 Favored 'General case' 0 C--O 1.2 -1.552 0 O-C-N 120.002 -1.686 . . . . 45.83 112.151 179.251 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 75.4 t -93.5 141.2 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.334 0 N-CA-C 108.961 -0.755 . . . . 15.78 108.961 169.114 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 27.6 pt -117.01 166.8 10.96 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.584 0 O-C-N 121.478 -0.764 . . . . 16.98 112.181 175.631 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.2 mtt85 -70.78 153.19 94.97 Favored Pre-proline 0 C--O 1.205 -1.255 0 C-N-CA 120.867 -0.333 . . . . 32.14 110.69 174.069 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -95.97 154.54 11.15 Favored 'Cis proline' 0 C--O 1.195 -1.672 0 CA-C-O 116.247 -1.647 . . . . 17.94 109.855 -0.612 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 34.9 t -115.88 127.91 55.37 Favored 'General case' 0 C--O 1.197 -1.661 0 N-CA-C 107.219 -1.401 . . . . 21.64 107.219 176.966 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 34.1 mtp -107.25 143.08 36.01 Favored 'General case' 0 C--N 1.31 -1.117 0 C-N-CA 119.015 -1.074 . . . . 49.98 109.926 -176.042 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 70.6 tttt -126.41 124.45 40.2 Favored 'General case' 0 CA--C 1.558 1.288 0 N-CA-C 106.568 -1.642 . . . . 32.67 106.568 -178.441 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 61.7 tttt -110.65 134.77 52.15 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 106.842 -1.54 . . . . 31.36 106.842 -178.961 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.7 m -102.61 125.47 49.35 Favored 'General case' 0 C--O 1.248 1.02 0 N-CA-C 105.599 -2.0 . . . . 24.26 105.599 177.325 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 96.3 mt -104.33 124.38 58.77 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.516 0 N-CA-C 109.054 -0.721 . . . . 32.54 109.054 -177.99 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -100.1 149.69 23.25 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 113.32 0.859 . . . . 36.86 113.32 -177.499 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -57.48 148.62 23.1 Favored 'General case' 0 N--CA 1.492 1.66 0 CA-C-O 122.063 0.935 . . . . 45.86 110.638 174.276 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -59.33 -46.86 87.45 Favored 'General case' 0 CA--C 1.498 -1.031 0 O-C-N 121.711 -0.618 . . . . 61.19 110.004 -175.303 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -109.45 144.32 37.84 Favored 'General case' 0 CA--C 1.5 -0.97 0 O-C-N 124.888 1.367 . . . . 47.49 107.712 -177.301 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 117.01 171.88 15.95 Favored Glycine 0 CA--C 1.482 -2.006 0 N-CA-C 103.935 -3.666 . . . . 46.62 103.935 178.93 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -117.48 115.46 25.22 Favored 'General case' 0 N--CA 1.42 -1.969 0 N-CA-C 105.358 -2.09 . . . . 45.18 105.358 -176.56 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.7 mtt-85 52.86 34.05 15.7 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 115.439 1.644 . . . . 69.33 115.439 177.167 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -86.58 116.78 24.92 Favored 'General case' 0 C--O 1.194 -1.817 0 N-CA-C 107.177 -1.416 . . . . 58.71 107.177 175.219 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 61.7 mt -75.41 128.18 37.08 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.224 0 N-CA-C 113.698 0.999 . . . . 33.72 113.698 178.656 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.8 tttm -90.65 -40.92 11.61 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.509 -0.923 . . . . 43.32 108.509 175.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 177.0 -172.84 45.8 Favored Glycine 0 CA--C 1.542 1.768 0 C-N-CA 118.135 -1.983 . . . . 18.34 111.23 -175.49 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -132.5 164.05 27.44 Favored 'General case' 0 CA--C 1.496 -1.104 0 N-CA-C 108.032 -1.099 . . . . 33.64 108.032 178.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -136.03 142.33 44.42 Favored 'General case' 0 C--O 1.211 -0.951 0 N-CA-C 105.29 -2.115 . . . . 43.32 105.29 172.278 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -124.93 134.23 52.73 Favored 'General case' 0 C--N 1.306 -1.302 0 N-CA-C 105.449 -2.056 . . . . 23.61 105.449 -175.075 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -111.71 117.84 33.98 Favored 'General case' 0 CA--C 1.498 -1.054 0 N-CA-C 107.046 -1.464 . . . . 38.22 107.046 177.876 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.6 mp -116.96 152.7 34.02 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 127.438 2.961 . . . . 31.19 115.145 -174.687 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -108.8 117.01 33.08 Favored 'General case' 0 CA--C 1.503 -0.833 0 N-CA-C 103.775 -2.676 . . . . 27.64 103.775 168.996 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.0 t -129.18 128.62 67.03 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.034 0 O-C-N 122.023 -0.423 . . . . 24.35 111.779 -174.51 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -87.66 126.94 35.25 Favored 'General case' 0 C--O 1.203 -1.349 0 N-CA-C 105.252 -2.129 . . . . 23.39 105.252 172.36 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -145.43 133.99 22.06 Favored 'General case' 0 N--CA 1.422 -1.854 0 N-CA-C 107.127 -1.434 . . . . 17.4 107.127 172.381 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.9 m 47.64 44.03 16.96 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 107.978 -1.119 . . . . 24.98 107.978 -173.438 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 63.72 17.61 10.57 Favored 'General case' 0 C--O 1.249 1.058 0 N-CA-C 120.992 3.701 . . . . 50.53 120.992 175.56 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.0 mtmm -128.69 156.71 43.04 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 105.193 -2.151 . . . . 51.15 105.193 -179.818 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.27 125.99 50.21 Favored 'General case' 0 C--O 1.259 1.578 0 O-C-N 123.927 0.767 . . . . 24.22 112.143 -171.678 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -124.33 165.47 17.62 Favored 'General case' 0 C--O 1.257 1.449 0 C-N-CA 118.413 -1.315 . . . . 21.2 110.815 178.466 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -112.71 129.11 56.52 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 103.599 -2.741 . . . . 29.49 103.599 177.734 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -126.88 139.05 53.36 Favored 'General case' 0 CA--C 1.556 1.201 0 N-CA-C 106.504 -1.665 . . . . 18.58 106.504 -179.273 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -113.34 134.56 54.56 Favored 'General case' 0 N--CA 1.505 2.303 0 N-CA-C 107.76 -1.2 . . . . 29.47 107.76 173.279 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 80.8 mt -128.52 138.1 55.54 Favored 'Isoleucine or valine' 0 C--O 1.256 1.399 0 CA-C-O 116.805 -1.569 . . . . 24.47 107.07 -174.723 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 78.2 p -104.0 150.76 23.95 Favored 'General case' 0 C--O 1.253 1.264 0 CA-C-O 122.952 1.358 . . . . 29.45 109.0 174.236 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -138.98 121.19 15.83 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 102.258 -3.238 . . . . 27.25 102.258 179.076 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -69.76 136.47 50.95 Favored 'General case' 0 C--O 1.211 -0.939 0 CA-C-O 121.303 0.573 . . . . 36.16 110.558 176.108 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -70.75 -37.17 73.41 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 119.691 -1.881 . . . . 34.86 114.215 -177.242 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -73.03 -45.26 58.61 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 116.3 1.963 . . . . 43.97 116.3 -176.693 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 82.7 p -109.94 -8.5 14.84 Favored 'General case' 0 C--O 1.211 -0.938 0 N-CA-C 114.39 1.256 . . . . 27.25 114.39 -179.553 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.58 27.87 15.05 Favored 'General case' 0 C--O 1.182 -2.47 0 CA-C-O 118.378 -0.82 . . . . 46.81 112.197 176.297 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -72.95 148.36 41.22 Favored Glycine 0 N--CA 1.438 -1.184 0 O-C-N 124.001 0.813 . . . . 22.46 112.6 168.93 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -119.22 151.22 38.76 Favored 'General case' 0 C--O 1.29 3.185 0 C-N-CA 119.17 -1.012 . . . . 23.17 110.095 -175.01 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -139.75 138.03 35.58 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 124.978 1.424 . . . . 51.17 111.024 174.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.5 tp -78.62 122.21 25.65 Favored 'General case' 0 C--O 1.218 -0.605 0 CA-C-O 116.813 -1.565 . . . . 18.23 107.067 173.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 35.1 mt -88.63 -43.46 11.33 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 119.961 1.255 . . . . 27.18 111.809 177.807 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.9 mtt-85 -156.03 156.15 33.92 Favored 'General case' 0 CA--C 1.467 -2.222 0 C-N-CA 119.867 -0.733 . . . . 68.87 110.347 179.746 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -151.08 113.77 4.68 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 106.278 -1.749 . . . . 23.21 106.278 -178.123 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -136.83 153.26 50.84 Favored 'General case' 0 CA--C 1.493 -1.217 0 N-CA-C 109.006 -0.738 . . . . 45.12 109.006 -168.028 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 148.21 -167.37 29.0 Favored Glycine 0 C--O 1.201 -1.918 0 C-N-CA 119.854 -1.165 . . . . 24.75 110.331 171.281 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -66.83 152.82 83.48 Favored 'Cis proline' 0 C--O 1.174 -2.717 0 CA-C-O 115.79 -1.837 . . . . 30.5 113.306 3.675 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 26.8 m -119.91 163.17 29.33 Favored Pre-proline 0 N--CA 1.418 -2.047 0 CA-C-N 119.863 1.21 . . . . 24.09 110.564 178.195 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -67.87 142.09 56.11 Favored 'Trans proline' 0 C--O 1.179 -2.454 0 CA-C-O 116.761 -1.433 . . . . 30.93 112.055 178.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -60.5 145.54 98.56 Favored 'Trans proline' 0 C--N 1.307 -1.649 0 CA-C-N 121.647 1.624 . . . . 32.72 113.099 174.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo . . . . . 0 C--N 1.296 -2.193 0 N-CA-C 107.403 -1.806 . . . . 30.77 107.403 -177.407 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' GLY . . . . . 0.972 ' CA ' ' O ' ' B' ' 63' ' ' HOH . . . . . . . . 0 N--CA 1.503 3.156 0 N-CA-C 109.678 -1.369 . . . . 47.76 109.678 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -112.49 136.72 51.67 Favored 'General case' 0 C--O 1.259 1.559 0 N-CA-C 106.567 -1.642 . . . . 58.23 106.567 -173.69 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' TRP . . . . . . . . . . . . . 70.8 m95 -115.62 148.49 39.58 Favored 'General case' 0 C--O 1.285 2.969 0 CA-C-N 114.61 -1.177 . . . . 30.07 108.356 -176.262 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -153.13 153.02 31.97 Favored 'General case' 0 C--O 1.2 -1.534 0 N-CA-C 107.339 -1.356 . . . . 40.79 107.339 176.016 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 58.1 mt -91.66 131.8 37.81 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.021 0 N-CA-C 107.564 -1.273 . . . . 30.39 107.564 175.459 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 34.2 pt -114.22 159.5 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.102 0 C-N-CA 117.669 -1.612 . . . . 30.92 108.074 -178.736 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' ASP . . . . . 0.656 ' OD1' ' NH2' ' B' ' 139' ' ' ARG . 15.2 t0 -76.05 159.9 30.34 Favored 'General case' 0 C--O 1.195 -1.796 0 CA-C-O 118.574 -0.727 . . . . 47.48 109.916 -179.545 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 45.6 pt -96.97 49.03 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.117 0 N-CA-C 120.34 3.459 . . . . 38.06 120.34 -174.428 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' GLY . . . . . . . . . . . . . . . -74.43 -163.3 9.78 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 117.502 1.761 . . . . 29.91 117.502 177.336 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -51.93 -37.21 66.6 Favored 'Trans proline' 0 C--O 1.255 1.327 0 C-N-CA 123.468 2.779 . . . . 27.34 113.632 -176.08 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -63.87 -47.02 82.35 Favored 'General case' 0 C--O 1.212 -0.871 0 C-N-CA 118.037 -1.465 . . . . 31.32 109.689 -178.346 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . 0.271 30.5 p -60.94 -36.24 78.82 Favored 'General case' 0 CA--C 1.491 -1.319 0 N-CA-C 117.631 2.456 . . . . 33.41 117.631 173.704 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 88.5 mm-40 -67.19 -38.4 85.31 Favored 'General case' 0 N--CA 1.433 -1.278 0 N-CA-C 105.835 -1.913 . . . . 30.18 105.835 178.32 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -62.75 -36.86 84.41 Favored 'General case' 0 C--N 1.306 -1.308 0 C-N-CA 118.683 -1.207 . . . . 44.22 113.504 178.991 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 15.8 mt -61.29 -41.66 97.33 Favored 'General case' 0 CA--C 1.57 1.737 0 CA-C-N 114.53 -1.213 . . . . 26.39 110.595 176.159 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -60.49 -45.93 95.32 Favored Glycine 0 C--O 1.254 1.389 0 CA-C-O 124.254 2.03 . . . . 21.09 111.501 176.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.43 -41.55 98.8 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 117.747 -1.581 . . . . 50.64 108.958 -177.801 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -58.0 -46.95 84.41 Favored 'General case' 0 CA--C 1.562 1.423 0 CA-C-N 115.064 -0.971 . . . . 22.73 110.759 176.15 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.9 -48.37 75.75 Favored 'General case' 0 N--CA 1.433 -1.289 0 C-N-CA 119.45 -0.9 . . . . 20.5 110.512 178.777 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 57.3 t -68.98 -40.22 80.71 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.855 0 C-N-CA 118.705 -1.198 . . . . 22.01 109.953 -174.551 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -60.54 -42.0 95.63 Favored 'General case' 0 C--O 1.251 1.161 0 C-N-CA 117.025 -1.87 . . . . 26.01 107.633 -178.942 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -67.85 -37.04 81.35 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 119.214 -0.994 . . . . 31.54 112.826 -176.794 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -73.95 -28.47 61.52 Favored 'General case' 0 N--CA 1.438 -1.049 0 N-CA-C 107.656 -1.239 . . . . 29.99 107.656 -177.139 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 124' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -61.22 -32.24 72.02 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 117.78 -1.568 . . . . 24.22 110.273 177.144 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -64.3 -23.7 67.39 Favored 'General case' 0 CA--C 1.486 -1.498 0 N-CA-C 113.38 0.881 . . . . 39.16 113.38 176.337 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 126' ' ' ILE . . . . . . . . . . . . . 23.4 mt -85.43 -37.87 12.48 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.198 0 C-N-CA 120.539 -0.464 . . . . 32.86 110.523 -179.3 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 88.03 -4.54 85.53 Favored Glycine 0 C--O 1.208 -1.47 0 N-CA-C 117.572 1.789 . . . . 24.37 117.572 176.201 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -63.9 -24.59 67.79 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 115.233 1.568 . . . . 47.56 115.233 -174.576 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 129' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -111.04 19.67 18.22 Favored 'General case' 0 C--O 1.198 -1.641 0 N-CA-C 114.654 1.353 . . . . 33.75 114.654 175.098 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . 68.55 -167.34 44.56 Favored Glycine 0 CA--C 1.493 -1.285 0 C-N-CA 117.947 -2.073 . . . . 25.41 108.693 -171.354 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -89.38 112.7 23.88 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 105.941 -1.874 . . . . 41.39 105.941 -173.328 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 64.8 mt -91.25 154.61 19.16 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 119.622 1.101 . . . . 28.48 112.089 178.674 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 1.5 t -117.98 126.14 51.76 Favored 'General case' 0 N--CA 1.437 -1.12 0 N-CA-C 106.816 -1.55 . . . . 32.11 106.816 176.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 134' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -66.28 137.48 56.97 Favored 'General case' 0 C--N 1.303 -1.429 0 C-N-CA 120.059 -0.656 . . . . 29.22 110.367 -172.55 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 135' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -113.56 -59.9 1.96 Allowed 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 104.27 -2.492 . . . . 35.45 104.27 178.52 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 33.1 pttt -178.44 160.73 1.3 Allowed 'General case' 0 N--CA 1.448 -0.569 0 O-C-N 120.622 -1.299 . . . . 50.94 113.913 -174.436 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 69.4 t -100.02 137.34 27.82 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.495 0 CA-C-N 113.874 -1.512 . . . . 21.32 107.346 175.482 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 34.5 pt -113.48 170.15 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 CA-C-O 122.248 1.023 . . . . 21.62 112.241 173.382 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 139' ' ' ARG . . . . . 0.656 ' NH2' ' OD1' ' B' ' 107' ' ' ASP . 88.3 mtt-85 -71.56 151.26 93.76 Favored Pre-proline 0 C--O 1.208 -1.107 0 CA-C-N 115.226 -0.897 . . . . 46.51 111.414 172.79 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -89.52 149.16 24.01 Favored 'Cis proline' 0 C--N 1.304 -1.777 0 CA-C-N 119.558 0.878 . . . . 21.99 113.649 -2.772 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 141' ' ' CYS . . . . . . . . . . . . . 48.5 t -115.14 125.63 53.68 Favored 'General case' 0 C--N 1.311 -1.095 0 N-CA-C 107.592 -1.262 . . . . 23.84 107.592 175.888 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 142' ' ' MET . . . . . . . . . . . . . 26.0 mmm -106.06 136.75 45.19 Favored 'General case' 0 CA--C 1.515 -0.385 0 C-N-CA 122.906 0.483 . . . . 47.2 110.547 -176.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 51.7 tttt -124.44 131.26 53.5 Favored 'General case' 0 N--CA 1.41 -2.427 0 N-CA-C 112.06 0.393 . . . . 36.14 112.06 176.413 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 51.8 tttt -109.35 134.78 51.39 Favored 'General case' 0 C--O 1.276 2.453 0 N-CA-C 106.482 -1.673 . . . . 34.57 106.482 175.983 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 145' ' ' THR . . . . . . . . . . . . . 36.5 m -102.79 130.36 49.75 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 108.723 -0.843 . . . . 25.78 108.723 175.258 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 146' ' ' ILE . . . . . . . . . . . . . 35.7 mt -111.02 137.09 44.96 Favored 'Isoleucine or valine' 0 C--O 1.249 1.056 0 CA-C-O 122.846 1.308 . . . . 34.0 110.421 179.336 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 147' ' ' TYR . . . . . 0.548 ' O ' ' O ' ' B' ' 148' ' ' GLU . 85.5 m-85 -115.49 177.3 4.72 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 118.546 -1.262 . . . . 49.17 107.658 -173.372 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 148' ' ' GLU . . . . . 0.548 ' O ' ' O ' ' B' ' 147' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.757 0 N-CA-C 120.31 3.448 . . . . 73.19 120.31 171.906 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 153' ' ' ARG . . . . . . . . . . . . . 7.1 ttp85 . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 120.956 0.408 . . . . 72.44 109.907 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 154' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -88.75 131.91 34.84 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 122.359 0.264 . . . . 66.63 111.405 -176.941 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -73.0 123.5 27.96 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.305 0 C-N-CA 123.324 0.649 . . . . 43.68 111.995 -177.3 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 156' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -84.93 -37.3 20.7 Favored 'General case' 0 CA--C 1.566 1.564 0 CA-C-N 118.826 0.739 . . . . 53.36 111.095 168.529 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 157' ' ' GLY . . . . . . . . . . . . . . . 176.22 -167.42 39.04 Favored Glycine 0 C--N 1.333 0.365 0 O-C-N 121.125 -0.984 . . . . 27.92 111.838 -178.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 158' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -136.44 162.96 31.62 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.92 0.36 . . . . 32.27 110.034 -177.29 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -132.68 146.74 52.11 Favored 'General case' 0 C--O 1.278 2.554 0 N-CA-C 108.325 -0.991 . . . . 35.33 108.325 166.49 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -127.81 144.08 51.1 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 117.882 -1.527 . . . . 33.55 108.272 -177.347 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -114.25 122.0 45.4 Favored 'General case' 0 C--N 1.311 -1.101 0 N-CA-C 103.46 -2.793 . . . . 33.24 103.46 174.08 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 162' ' ' LEU . . . . . . . . . . . . 0.252 3.4 mt -122.03 150.95 41.37 Favored 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 118.31 -1.356 . . . . 30.36 110.935 -172.894 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 163' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -105.7 121.79 44.74 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 107.344 -1.354 . . . . 34.01 107.344 163.235 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 164' ' ' VAL . . . . . . . . . . . . 0.287 20.8 t -126.09 124.72 66.58 Favored 'Isoleucine or valine' 0 C--O 1.186 -2.263 0 CA-C-N 120.253 1.388 . . . . 25.7 111.085 -173.328 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 165' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -84.94 126.55 33.6 Favored 'General case' 0 CA--C 1.481 -1.683 0 CA-C-N 119.739 1.154 . . . . 34.43 109.504 172.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -141.09 136.63 32.15 Favored 'General case' 0 C--O 1.21 -1.012 0 CA-C-O 121.784 0.802 . . . . 23.13 108.866 175.736 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 22.8 m 44.49 43.33 6.24 Favored 'General case' 0 C--O 1.208 -1.125 0 CA-C-N 113.914 -1.494 . . . . 29.79 110.75 -171.314 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 168' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 64.06 17.65 10.75 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 118.557 2.799 . . . . 47.3 118.557 -179.348 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.9 157.55 30.94 Favored 'General case' 0 C--O 1.183 -2.414 0 N-CA-C 109.58 -0.526 . . . . 47.38 109.58 170.356 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 34.7 tp -103.8 132.95 49.57 Favored 'General case' 0 CA--C 1.496 -1.115 0 N-CA-C 108.683 -0.858 . . . . 25.05 108.683 -175.353 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 171' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -128.18 156.65 42.57 Favored 'General case' 0 CA--C 1.49 -1.351 0 CA-C-O 118.114 -0.946 . . . . 25.5 110.03 -177.051 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 172' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -110.07 129.49 55.68 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 104.831 -2.285 . . . . 32.6 104.831 175.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -131.91 135.79 46.9 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 107.568 -1.271 . . . . 20.58 107.568 -176.931 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 174' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -112.7 136.63 52.07 Favored 'General case' 0 C--O 1.203 -1.358 0 N-CA-C 107.904 -1.147 . . . . 26.72 107.904 173.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 175' ' ' ILE . . . . . . . . . . . . . 28.1 mt -137.14 139.09 44.8 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 N-CA-C 107.267 -1.383 . . . . 28.14 107.267 -172.707 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 176' ' ' SER . . . . . . . . . . . . . 93.9 p -108.24 151.5 25.86 Favored 'General case' 0 C--O 1.256 1.431 0 N-CA-C 105.124 -2.176 . . . . 25.9 105.124 174.033 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -137.19 133.12 34.82 Favored 'General case' 0 C--O 1.254 1.335 0 CA-C-N 114.715 -1.13 . . . . 35.4 108.532 175.631 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 178' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -85.42 129.51 34.8 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 114.168 -1.378 . . . . 27.93 107.467 -179.419 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 179' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -68.76 -42.92 76.81 Favored 'General case' 0 C--O 1.188 -2.155 0 C-N-CA 118.967 -1.093 . . . . 41.99 110.724 -171.056 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 180' ' ' LYS . . . . . 0.486 ' CD ' ' O ' ' B' ' 35' ' ' HOH . 17.3 mttp -75.83 -35.04 60.11 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 117.405 2.372 . . . . 49.76 117.405 -178.749 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 181' ' ' THR . . . . . . . . . . . . . 77.4 p -97.15 -17.62 19.8 Favored 'General case' 0 CA--C 1.506 -0.742 0 C-N-CA 118.341 -1.344 . . . . 20.41 111.848 -173.474 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 11.8 mtt85 63.49 20.52 12.29 Favored 'General case' 0 N--CA 1.437 -1.11 0 O-C-N 124.533 1.146 . . . . 54.53 112.023 -169.04 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 183' ' ' GLY . . . . . . . . . . . . . . . -75.75 144.25 31.14 Favored Glycine 0 C--O 1.206 -1.623 0 C-N-CA 118.353 -1.879 . . . . 20.48 108.419 177.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 184' ' ' ARG . . . . . . . . . . . . 0.258 91.9 mtt180 -121.92 159.87 25.98 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-N 119.265 1.532 . . . . 32.88 107.726 177.143 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 185' ' ' LYS . . . . . . . . . . . . . 35.5 mttt -135.08 139.34 44.64 Favored 'General case' 0 C--O 1.29 3.216 0 N-CA-C 107.527 -1.286 . . . . 52.87 107.527 175.133 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 186' ' ' LEU . . . . . . . . . . . . . 51.3 tp -82.18 115.71 21.4 Favored 'General case' 0 C--O 1.203 -1.362 0 N-CA-C 106.361 -1.718 . . . . 23.94 106.361 172.907 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 187' ' ' LEU . . . . . . . . . . . . . 73.7 mt -88.07 -42.0 12.69 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 107.542 -1.281 . . . . 26.78 107.542 -175.024 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 188' ' ' ARG . . . . . . . . . . . . 0.261 45.9 mtm-85 -154.5 148.1 25.28 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.651 -0.87 . . . . 46.22 108.651 -176.631 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 189' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -144.15 116.71 8.63 Favored 'General case' 0 C--O 1.256 1.422 0 N-CA-C 104.03 -2.582 . . . . 26.14 104.03 177.271 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 190' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -135.13 146.3 48.67 Favored 'General case' 0 N--CA 1.497 1.905 0 C-N-CA 118.992 -1.083 . . . . 44.73 113.841 -171.899 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 191' ' ' GLY . . . . . . . . . . . . . . . 157.89 -162.87 32.42 Favored Glycine 0 CA--C 1.501 -0.813 0 C-N-CA 119.804 -1.189 . . . . 27.12 110.3 167.993 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 192' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -66.43 153.14 82.11 Favored 'Cis proline' 0 C--N 1.306 -1.697 0 O-C-N 122.927 0.962 . . . . 32.12 113.96 -0.679 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 193' ' ' VAL . . . . . . . . . . . . . 32.9 m -122.94 161.78 42.59 Favored Pre-proline 0 C--O 1.187 -2.228 0 CA-C-N 115.358 -0.837 . . . . 29.33 110.884 179.061 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 194' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -75.58 152.3 37.96 Favored 'Trans proline' 0 C--N 1.311 -1.447 0 C-N-CA 121.687 1.591 . . . . 32.51 109.381 177.665 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 195' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -64.96 147.69 89.3 Favored 'Trans proline' 0 C--N 1.304 -1.785 0 CA-C-O 122.308 0.878 . . . . 35.82 110.692 -179.29 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 196' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo . . . . . 0 C--N 1.311 -1.421 0 CA-C-O 126.345 2.561 . . . . 33.95 106.688 -179.145 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 . . . . . 0.629 ' O ' ' NE2' ' A' ' 28' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' HOH . . . . . 0.486 ' O ' ' CD ' ' B' ' 180' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' HOH . . . . . 0.972 ' O ' ' CA ' ' B' ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.675 0 N-CA-C 111.462 -0.655 . . . . 43.81 111.462 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -128.56 133.1 48.29 Favored 'General case' 0 CA--C 1.575 1.907 0 N-CA-C 108.597 -0.89 . . . . 61.96 108.597 -178.94 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' TRP . . . . . 0.49 ' CZ3' ' HB2' ' A' ' 44' ' ' LYS . 91.8 m95 -122.4 145.0 48.68 Favored 'General case' 0 C--O 1.266 1.964 0 CA-C-N 115.102 -0.954 . . . . 36.03 110.825 -171.266 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -150.69 161.12 43.22 Favored 'General case' 0 CA--C 1.583 2.238 0 N-CA-C 105.846 -1.909 . . . . 34.6 105.846 176.142 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.1 mt -96.21 134.91 32.06 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.676 0 N-CA-C 107.72 -1.215 . . . . 32.89 107.72 173.93 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.9 pt -120.06 156.02 22.92 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.054 0 N-CA-C 106.169 -1.789 . . . . 19.52 106.169 174.98 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -83.06 -168.88 2.25 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 124.726 1.267 . . . . 30.5 114.236 -176.238 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.2 pt -117.99 40.78 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.497 -1.064 0 C-N-CA 118.957 -1.097 . . . . 24.03 111.817 -170.771 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.74 -173.99 8.95 Favored Glycine 0 CA--C 1.572 3.649 0 CA-C-O 125.02 2.456 . . . . 16.19 112.496 170.431 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -57.99 -36.43 98.08 Favored 'Trans proline' 0 C--O 1.261 1.653 0 C-N-CA 121.623 1.549 . . . . 22.31 113.89 -173.813 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -59.39 -44.32 92.81 Favored 'General case' 0 C--N 1.308 -1.197 0 C-N-CA 116.246 -2.181 . . . . 25.99 110.692 176.416 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 85.5 m -71.18 -35.11 71.48 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.537 -0.756 . . . . 16.34 111.977 -178.497 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -67.7 -34.06 76.13 Favored 'General case' 0 C--O 1.256 1.408 0 C-N-CA 117.688 -1.605 . . . . 15.82 108.766 178.854 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -70.92 -27.54 63.85 Favored 'General case' 0 C--O 1.212 -0.89 0 O-C-N 124.325 1.015 . . . . 25.37 112.279 179.736 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.8 mt -67.13 -40.99 86.86 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 106.588 -1.634 . . . . 19.62 106.588 173.737 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.35 -47.66 89.75 Favored Glycine 0 C--O 1.247 0.925 0 C-N-CA 119.533 -1.318 . . . . 16.91 112.286 177.424 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.6 tttt -63.15 -39.55 94.99 Favored 'General case' 0 C--O 1.174 -2.872 0 N-CA-C 108.575 -0.898 . . . . 45.37 108.575 -179.025 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -54.58 -45.35 73.56 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-O 122.615 1.198 . . . . 20.58 109.465 175.045 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.34 -41.42 85.25 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 117.894 -1.523 . . . . 14.34 111.432 -173.98 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 42.4 t -68.4 -42.23 83.93 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.432 0 C-N-CA 119.563 -0.855 . . . . 17.93 109.83 -179.299 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -58.53 -44.81 89.72 Favored 'General case' 0 C--O 1.264 1.822 0 C-N-CA 117.711 -1.596 . . . . 22.5 112.336 176.894 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -61.59 -48.15 82.23 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.6 -0.889 . . . . 25.82 108.6 178.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -62.05 -36.01 80.34 Favored 'General case' 0 C--O 1.192 -1.925 0 C-N-CA 117.707 -1.597 . . . . 25.25 113.329 -178.578 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -63.48 -21.41 66.3 Favored 'General case' 0 C--N 1.31 -1.132 0 O-C-N 121.474 -0.766 . . . . 21.34 111.541 178.254 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -71.71 -26.31 62.44 Favored 'General case' 0 C--O 1.221 -0.43 0 C-N-CA 119.075 -1.05 . . . . 36.39 109.605 177.916 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.3 mt -81.09 -44.76 20.98 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.329 0 N-CA-C 108.116 -1.068 . . . . 30.44 108.116 -173.669 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.02 17.47 78.33 Favored Glycine 0 C--O 1.275 2.698 0 O-C-N 124.67 1.231 . . . . 16.98 114.221 173.765 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -76.69 -33.73 58.23 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 113.03 0.752 . . . . 33.51 113.03 174.419 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -93.03 153.32 18.78 Favored 'General case' 0 C--O 1.202 -1.42 0 CA-C-N 115.161 -0.927 . . . . 25.12 109.635 167.442 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -58.04 159.46 14.07 Favored Glycine 0 C--O 1.21 -1.379 0 N-CA-C 108.956 -1.658 . . . . 23.4 108.956 173.451 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.0 ttt-85 -50.75 132.02 26.14 Favored 'General case' 0 N--CA 1.42 -1.939 0 O-C-N 121.758 -0.848 . . . . 62.02 112.111 -177.598 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 42.5 mt -114.1 137.39 51.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.024 0.828 . . . . 27.31 109.754 -172.166 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 52.3 m -107.89 117.58 34.5 Favored 'General case' 0 CA--C 1.558 1.287 0 N-CA-C 105.915 -1.883 . . . . 25.11 105.915 177.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -57.15 129.06 40.09 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 113.416 0.895 . . . . 21.09 113.416 177.021 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -107.13 -63.68 1.27 Allowed 'General case' 0 CA--C 1.593 2.624 0 CA-C-O 122.663 1.221 . . . . 28.56 110.701 175.14 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 48.3 tttt -171.84 158.14 4.76 Favored 'General case' 0 C--O 1.2 -1.552 0 O-C-N 120.002 -1.686 . . . . 45.83 112.151 179.251 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 75.4 t -93.5 141.2 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.334 0 N-CA-C 108.961 -0.755 . . . . 15.78 108.961 169.114 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 27.6 pt -117.01 166.8 10.96 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.584 0 O-C-N 121.478 -0.764 . . . . 16.98 112.181 175.631 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.2 mtt85 -70.78 153.19 94.97 Favored Pre-proline 0 C--O 1.205 -1.255 0 C-N-CA 120.867 -0.333 . . . . 32.14 110.69 174.069 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -95.97 154.54 11.15 Favored 'Cis proline' 0 C--O 1.195 -1.672 0 CA-C-O 116.247 -1.647 . . . . 17.94 109.855 -0.612 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 34.9 t -115.88 127.91 55.37 Favored 'General case' 0 C--O 1.197 -1.661 0 N-CA-C 107.219 -1.401 . . . . 21.64 107.219 176.966 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 34.1 mtp -107.25 143.08 36.01 Favored 'General case' 0 C--N 1.31 -1.117 0 C-N-CA 119.015 -1.074 . . . . 49.98 109.926 -176.042 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 70.6 tttt -126.41 124.45 40.2 Favored 'General case' 0 CA--C 1.558 1.288 0 N-CA-C 106.568 -1.642 . . . . 32.67 106.568 -178.441 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' LYS . . . . . 0.49 ' HB2' ' CZ3' ' A' ' 3' ' ' TRP . 61.7 tttt -110.65 134.77 52.15 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 106.842 -1.54 . . . . 31.36 106.842 -178.961 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.7 m -102.61 125.47 49.35 Favored 'General case' 0 C--O 1.248 1.02 0 N-CA-C 105.599 -2.0 . . . . 24.26 105.599 177.325 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 96.3 mt -104.33 124.38 58.77 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.516 0 N-CA-C 109.054 -0.721 . . . . 32.54 109.054 -177.99 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -100.1 149.69 23.25 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 113.32 0.859 . . . . 36.86 113.32 -177.499 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -57.48 148.62 23.1 Favored 'General case' 0 N--CA 1.492 1.66 0 CA-C-O 122.063 0.935 . . . . 45.86 110.638 174.276 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -59.33 -46.86 87.45 Favored 'General case' 0 CA--C 1.498 -1.031 0 O-C-N 121.711 -0.618 . . . . 61.19 110.004 -175.303 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -109.45 144.32 37.84 Favored 'General case' 0 CA--C 1.5 -0.97 0 O-C-N 124.888 1.367 . . . . 47.49 107.712 -177.301 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 117.01 171.88 15.95 Favored Glycine 0 CA--C 1.482 -2.006 0 N-CA-C 103.935 -3.666 . . . . 46.62 103.935 178.93 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -117.48 115.46 25.22 Favored 'General case' 0 N--CA 1.42 -1.969 0 N-CA-C 105.358 -2.09 . . . . 45.18 105.358 -176.56 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.7 mtt-85 52.86 34.05 15.7 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 115.439 1.644 . . . . 69.33 115.439 177.167 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLU . . . . . 0.596 ' HA ' ' OE1' ' A' ' 54' ' ' GLU . 5.1 mm-40 -86.58 116.78 24.92 Favored 'General case' 0 C--O 1.194 -1.817 0 N-CA-C 107.177 -1.416 . . . . 58.71 107.177 175.219 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 61.7 mt -75.41 128.18 37.08 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.224 0 N-CA-C 113.698 0.999 . . . . 33.72 113.698 178.656 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.8 tttm -90.65 -40.92 11.61 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.509 -0.923 . . . . 43.32 108.509 175.945 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 177.0 -172.84 45.8 Favored Glycine 0 CA--C 1.542 1.768 0 C-N-CA 118.135 -1.983 . . . . 18.34 111.23 -175.49 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -132.5 164.05 27.44 Favored 'General case' 0 CA--C 1.496 -1.104 0 N-CA-C 108.032 -1.099 . . . . 33.64 108.032 178.593 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -136.03 142.33 44.42 Favored 'General case' 0 C--O 1.211 -0.951 0 N-CA-C 105.29 -2.115 . . . . 43.32 105.29 172.278 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -124.93 134.23 52.73 Favored 'General case' 0 C--N 1.306 -1.302 0 N-CA-C 105.449 -2.056 . . . . 23.61 105.449 -175.075 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -111.71 117.84 33.98 Favored 'General case' 0 CA--C 1.498 -1.054 0 N-CA-C 107.046 -1.464 . . . . 38.22 107.046 177.876 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.6 mp -116.96 152.7 34.02 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 127.438 2.961 . . . . 31.19 115.145 -174.687 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -108.8 117.01 33.08 Favored 'General case' 0 CA--C 1.503 -0.833 0 N-CA-C 103.775 -2.676 . . . . 27.64 103.775 168.996 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.0 t -129.18 128.62 67.03 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.034 0 O-C-N 122.023 -0.423 . . . . 24.35 111.779 -174.51 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -87.66 126.94 35.25 Favored 'General case' 0 C--O 1.203 -1.349 0 N-CA-C 105.252 -2.129 . . . . 23.39 105.252 172.36 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -145.43 133.99 22.06 Favored 'General case' 0 N--CA 1.422 -1.854 0 N-CA-C 107.127 -1.434 . . . . 17.4 107.127 172.381 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.9 m 47.64 44.03 16.96 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 107.978 -1.119 . . . . 24.98 107.978 -173.438 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 63.72 17.61 10.57 Favored 'General case' 0 C--O 1.249 1.058 0 N-CA-C 120.992 3.701 . . . . 50.53 120.992 175.56 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.0 mtmm -128.69 156.71 43.04 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 105.193 -2.151 . . . . 51.15 105.193 -179.818 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.27 125.99 50.21 Favored 'General case' 0 C--O 1.259 1.578 0 O-C-N 123.927 0.767 . . . . 24.22 112.143 -171.678 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -124.33 165.47 17.62 Favored 'General case' 0 C--O 1.257 1.449 0 C-N-CA 118.413 -1.315 . . . . 21.2 110.815 178.466 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -112.71 129.11 56.52 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 103.599 -2.741 . . . . 29.49 103.599 177.734 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -126.88 139.05 53.36 Favored 'General case' 0 CA--C 1.556 1.201 0 N-CA-C 106.504 -1.665 . . . . 18.58 106.504 -179.273 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -113.34 134.56 54.56 Favored 'General case' 0 N--CA 1.505 2.303 0 N-CA-C 107.76 -1.2 . . . . 29.47 107.76 173.279 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 80.8 mt -128.52 138.1 55.54 Favored 'Isoleucine or valine' 0 C--O 1.256 1.399 0 CA-C-O 116.805 -1.569 . . . . 24.47 107.07 -174.723 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 78.2 p -104.0 150.76 23.95 Favored 'General case' 0 C--O 1.253 1.264 0 CA-C-O 122.952 1.358 . . . . 29.45 109.0 174.236 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -138.98 121.19 15.83 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 102.258 -3.238 . . . . 27.25 102.258 179.076 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -69.76 136.47 50.95 Favored 'General case' 0 C--O 1.211 -0.939 0 CA-C-O 121.303 0.573 . . . . 36.16 110.558 176.108 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -70.75 -37.17 73.41 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 119.691 -1.881 . . . . 34.86 114.215 -177.242 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -73.03 -45.26 58.61 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 116.3 1.963 . . . . 43.97 116.3 -176.693 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 82.7 p -109.94 -8.5 14.84 Favored 'General case' 0 C--O 1.211 -0.938 0 N-CA-C 114.39 1.256 . . . . 27.25 114.39 -179.553 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ARG . . . . . 0.462 ' HA ' ' HD2' ' A' ' 82' ' ' ARG . 0.0 OUTLIER 63.58 27.87 15.05 Favored 'General case' 0 C--O 1.182 -2.47 0 CA-C-O 118.378 -0.82 . . . . 46.81 112.197 176.297 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -72.95 148.36 41.22 Favored Glycine 0 N--CA 1.438 -1.184 0 O-C-N 124.001 0.813 . . . . 22.46 112.6 168.93 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -119.22 151.22 38.76 Favored 'General case' 0 C--O 1.29 3.185 0 C-N-CA 119.17 -1.012 . . . . 23.17 110.095 -175.01 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -139.75 138.03 35.58 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 124.978 1.424 . . . . 51.17 111.024 174.593 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.5 tp -78.62 122.21 25.65 Favored 'General case' 0 C--O 1.218 -0.605 0 CA-C-O 116.813 -1.565 . . . . 18.23 107.067 173.984 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 35.1 mt -88.63 -43.46 11.33 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 119.961 1.255 . . . . 27.18 111.809 177.807 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.9 mtt-85 -156.03 156.15 33.92 Favored 'General case' 0 CA--C 1.467 -2.222 0 C-N-CA 119.867 -0.733 . . . . 68.87 110.347 179.746 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -151.08 113.77 4.68 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 106.278 -1.749 . . . . 23.21 106.278 -178.123 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -136.83 153.26 50.84 Favored 'General case' 0 CA--C 1.493 -1.217 0 N-CA-C 109.006 -0.738 . . . . 45.12 109.006 -168.028 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 148.21 -167.37 29.0 Favored Glycine 0 C--O 1.201 -1.918 0 C-N-CA 119.854 -1.165 . . . . 24.75 110.331 171.281 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -66.83 152.82 83.48 Favored 'Cis proline' 0 C--O 1.174 -2.717 0 CA-C-O 115.79 -1.837 . . . . 30.5 113.306 3.675 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 26.8 m -119.91 163.17 29.33 Favored Pre-proline 0 N--CA 1.418 -2.047 0 CA-C-N 119.863 1.21 . . . . 24.09 110.564 178.195 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -67.87 142.09 56.11 Favored 'Trans proline' 0 C--O 1.179 -2.454 0 CA-C-O 116.761 -1.433 . . . . 30.93 112.055 178.037 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -60.5 145.54 98.56 Favored 'Trans proline' 0 C--N 1.307 -1.649 0 CA-C-N 121.647 1.624 . . . . 32.72 113.099 174.783 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo . . . . . 0 C--N 1.296 -2.193 0 N-CA-C 107.403 -1.806 . . . . 30.77 107.403 -177.407 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' GLY . . . . . 0.972 ' CA ' ' O ' ' B' ' 63' ' ' HOH . . . . . . . . 0 N--CA 1.503 3.156 0 N-CA-C 109.678 -1.369 . . . . 47.76 109.678 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -112.49 136.72 51.67 Favored 'General case' 0 C--O 1.259 1.559 0 N-CA-C 106.567 -1.642 . . . . 58.23 106.567 -173.69 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 103' ' ' TRP . . . . . . . . . . . . . 70.8 m95 -115.62 148.49 39.58 Favored 'General case' 0 C--O 1.285 2.969 0 CA-C-N 114.61 -1.177 . . . . 30.07 108.356 -176.262 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -153.13 153.02 31.97 Favored 'General case' 0 C--O 1.2 -1.534 0 N-CA-C 107.339 -1.356 . . . . 40.79 107.339 176.016 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 58.1 mt -91.66 131.8 37.81 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.021 0 N-CA-C 107.564 -1.273 . . . . 30.39 107.564 175.459 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 34.2 pt -114.22 159.5 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.102 0 C-N-CA 117.669 -1.612 . . . . 30.92 108.074 -178.736 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 107' ' ' ASP . . . . . 0.651 ' OD1' ' NH2' ' B' ' 139' ' ' ARG . 15.2 t0 -76.05 159.9 30.34 Favored 'General case' 0 C--O 1.195 -1.796 0 CA-C-O 118.574 -0.727 . . . . 47.48 109.916 -179.545 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 45.6 pt -96.97 49.03 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.117 0 N-CA-C 120.34 3.459 . . . . 38.06 120.34 -174.428 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 109' ' ' GLY . . . . . . . . . . . . . . . -74.43 -163.3 9.78 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 117.502 1.761 . . . . 29.91 117.502 177.336 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -51.93 -37.21 66.6 Favored 'Trans proline' 0 C--O 1.255 1.327 0 C-N-CA 123.468 2.779 . . . . 27.34 113.632 -176.08 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 111' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -63.87 -47.02 82.35 Favored 'General case' 0 C--O 1.212 -0.871 0 C-N-CA 118.037 -1.465 . . . . 31.32 109.689 -178.346 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . 0.271 30.5 p -60.94 -36.24 78.82 Favored 'General case' 0 CA--C 1.491 -1.319 0 N-CA-C 117.631 2.456 . . . . 33.41 117.631 173.704 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 88.5 mm-40 -67.19 -38.4 85.31 Favored 'General case' 0 N--CA 1.433 -1.278 0 N-CA-C 105.835 -1.913 . . . . 30.18 105.835 178.32 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 114' ' ' ASN . . . . . 0.409 ' HB3' ' O ' ' B' ' 73' ' ' HOH . 0.3 OUTLIER -62.75 -36.86 84.41 Favored 'General case' 0 C--N 1.306 -1.308 0 C-N-CA 118.683 -1.207 . . . . 44.22 113.504 178.991 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 15.8 mt -61.29 -41.66 97.33 Favored 'General case' 0 CA--C 1.57 1.737 0 CA-C-N 114.53 -1.213 . . . . 26.39 110.595 176.159 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -60.49 -45.93 95.32 Favored Glycine 0 C--O 1.254 1.389 0 CA-C-O 124.254 2.03 . . . . 21.09 111.501 176.806 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 117' ' ' LYS . . . . . 0.632 ' HD3' ' O ' ' B' ' 117' ' ' LYS . 0.2 OUTLIER -62.43 -41.55 98.8 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 117.747 -1.581 . . . . 50.64 108.958 -177.801 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -58.0 -46.95 84.41 Favored 'General case' 0 CA--C 1.562 1.423 0 CA-C-N 115.064 -0.971 . . . . 22.73 110.759 176.15 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 119' ' ' ALA . . . . . 0.433 ' HB2' HD11 ' B' ' 175' ' ' ILE . . . -55.9 -48.37 75.75 Favored 'General case' 0 N--CA 1.433 -1.289 0 C-N-CA 119.45 -0.9 . . . . 20.5 110.512 178.777 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 57.3 t -68.98 -40.22 80.71 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.855 0 C-N-CA 118.705 -1.198 . . . . 22.01 109.953 -174.551 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 121' ' ' ASP . . . . . 0.425 ' OD1' ' HE2' ' B' ' 117' ' ' LYS . 94.0 m-20 -60.54 -42.0 95.63 Favored 'General case' 0 C--O 1.251 1.161 0 C-N-CA 117.025 -1.87 . . . . 26.01 107.633 -178.942 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -67.85 -37.04 81.35 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 119.214 -0.994 . . . . 31.54 112.826 -176.794 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -73.95 -28.47 61.52 Favored 'General case' 0 N--CA 1.438 -1.049 0 N-CA-C 107.656 -1.239 . . . . 29.99 107.656 -177.139 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 124' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -61.22 -32.24 72.02 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 117.78 -1.568 . . . . 24.22 110.273 177.144 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -64.3 -23.7 67.39 Favored 'General case' 0 CA--C 1.486 -1.498 0 N-CA-C 113.38 0.881 . . . . 39.16 113.38 176.337 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 126' ' ' ILE . . . . . . . . . . . . . 23.4 mt -85.43 -37.87 12.48 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.198 0 C-N-CA 120.539 -0.464 . . . . 32.86 110.523 -179.3 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 88.03 -4.54 85.53 Favored Glycine 0 C--O 1.208 -1.47 0 N-CA-C 117.572 1.789 . . . . 24.37 117.572 176.201 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -63.9 -24.59 67.79 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 115.233 1.568 . . . . 47.56 115.233 -174.576 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 129' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -111.04 19.67 18.22 Favored 'General case' 0 C--O 1.198 -1.641 0 N-CA-C 114.654 1.353 . . . . 33.75 114.654 175.098 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . 68.55 -167.34 44.56 Favored Glycine 0 CA--C 1.493 -1.285 0 C-N-CA 117.947 -2.073 . . . . 25.41 108.693 -171.354 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 131' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' B' ' 131' ' ' ARG . 1.0 OUTLIER -89.38 112.7 23.88 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 105.941 -1.874 . . . . 41.39 105.941 -173.328 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 64.8 mt -91.25 154.61 19.16 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 119.622 1.101 . . . . 28.48 112.089 178.674 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 1.5 t -117.98 126.14 51.76 Favored 'General case' 0 N--CA 1.437 -1.12 0 N-CA-C 106.816 -1.55 . . . . 32.11 106.816 176.638 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 134' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -66.28 137.48 56.97 Favored 'General case' 0 C--N 1.303 -1.429 0 C-N-CA 120.059 -0.656 . . . . 29.22 110.367 -172.55 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 135' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -113.56 -59.9 1.96 Allowed 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 104.27 -2.492 . . . . 35.45 104.27 178.52 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 33.1 pttt -178.44 160.73 1.3 Allowed 'General case' 0 N--CA 1.448 -0.569 0 O-C-N 120.622 -1.299 . . . . 50.94 113.913 -174.436 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 69.4 t -100.02 137.34 27.82 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.495 0 CA-C-N 113.874 -1.512 . . . . 21.32 107.346 175.482 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 34.5 pt -113.48 170.15 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 CA-C-O 122.248 1.023 . . . . 21.62 112.241 173.382 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 139' ' ' ARG . . . . . 0.651 ' NH2' ' OD1' ' B' ' 107' ' ' ASP . 88.3 mtt-85 -71.56 151.26 93.76 Favored Pre-proline 0 C--O 1.208 -1.107 0 CA-C-N 115.226 -0.897 . . . . 46.51 111.414 172.79 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -89.52 149.16 24.01 Favored 'Cis proline' 0 C--N 1.304 -1.777 0 CA-C-N 119.558 0.878 . . . . 21.99 113.649 -2.772 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 141' ' ' CYS . . . . . . . . . . . . . 48.5 t -115.14 125.63 53.68 Favored 'General case' 0 C--N 1.311 -1.095 0 N-CA-C 107.592 -1.262 . . . . 23.84 107.592 175.888 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 142' ' ' MET . . . . . . . . . . . . . 26.0 mmm -106.06 136.75 45.19 Favored 'General case' 0 CA--C 1.515 -0.385 0 C-N-CA 122.906 0.483 . . . . 47.2 110.547 -176.535 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 51.7 tttt -124.44 131.26 53.5 Favored 'General case' 0 N--CA 1.41 -2.427 0 N-CA-C 112.06 0.393 . . . . 36.14 112.06 176.413 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 51.8 tttt -109.35 134.78 51.39 Favored 'General case' 0 C--O 1.276 2.453 0 N-CA-C 106.482 -1.673 . . . . 34.57 106.482 175.983 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 145' ' ' THR . . . . . . . . . . . . . 36.5 m -102.79 130.36 49.75 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 108.723 -0.843 . . . . 25.78 108.723 175.258 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 146' ' ' ILE . . . . . . . . . . . . . 35.7 mt -111.02 137.09 44.96 Favored 'Isoleucine or valine' 0 C--O 1.249 1.056 0 CA-C-O 122.846 1.308 . . . . 34.0 110.421 179.336 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 147' ' ' TYR . . . . . 0.548 ' O ' ' O ' ' B' ' 148' ' ' GLU . 85.5 m-85 -115.49 177.3 4.72 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 118.546 -1.262 . . . . 49.17 107.658 -173.372 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 148' ' ' GLU . . . . . 0.548 ' O ' ' O ' ' B' ' 147' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.757 0 N-CA-C 120.31 3.448 . . . . 73.19 120.31 171.906 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 153' ' ' ARG . . . . . . . . . . . . . 7.1 ttp85 . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 120.956 0.408 . . . . 72.44 109.907 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 154' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -88.75 131.91 34.84 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 122.359 0.264 . . . . 66.63 111.405 -176.941 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -73.0 123.5 27.96 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.305 0 C-N-CA 123.324 0.649 . . . . 43.68 111.995 -177.3 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 156' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -84.93 -37.3 20.7 Favored 'General case' 0 CA--C 1.566 1.564 0 CA-C-N 118.826 0.739 . . . . 53.36 111.095 168.529 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 157' ' ' GLY . . . . . . . . . . . . . . . 176.22 -167.42 39.04 Favored Glycine 0 C--N 1.333 0.365 0 O-C-N 121.125 -0.984 . . . . 27.92 111.838 -178.885 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 158' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -136.44 162.96 31.62 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.92 0.36 . . . . 32.27 110.034 -177.29 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -132.68 146.74 52.11 Favored 'General case' 0 C--O 1.278 2.554 0 N-CA-C 108.325 -0.991 . . . . 35.33 108.325 166.49 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -127.81 144.08 51.1 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 117.882 -1.527 . . . . 33.55 108.272 -177.347 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -114.25 122.0 45.4 Favored 'General case' 0 C--N 1.311 -1.101 0 N-CA-C 103.46 -2.793 . . . . 33.24 103.46 174.08 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 162' ' ' LEU . . . . . . . . . . . . 0.252 3.4 mt -122.03 150.95 41.37 Favored 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 118.31 -1.356 . . . . 30.36 110.935 -172.894 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 163' ' ' TYR . . . . . 0.426 ' CZ ' ' HD3' ' B' ' 172' ' ' ARG . 49.2 m-85 -105.7 121.79 44.74 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 107.344 -1.354 . . . . 34.01 107.344 163.235 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 164' ' ' VAL . . . . . . . . . . . . 0.287 20.8 t -126.09 124.72 66.58 Favored 'Isoleucine or valine' 0 C--O 1.186 -2.263 0 CA-C-N 120.253 1.388 . . . . 25.7 111.085 -173.328 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 165' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -84.94 126.55 33.6 Favored 'General case' 0 CA--C 1.481 -1.683 0 CA-C-N 119.739 1.154 . . . . 34.43 109.504 172.812 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -141.09 136.63 32.15 Favored 'General case' 0 C--O 1.21 -1.012 0 CA-C-O 121.784 0.802 . . . . 23.13 108.866 175.736 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 22.8 m 44.49 43.33 6.24 Favored 'General case' 0 C--O 1.208 -1.125 0 CA-C-N 113.914 -1.494 . . . . 29.79 110.75 -171.314 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 168' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 64.06 17.65 10.75 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 118.557 2.799 . . . . 47.3 118.557 -179.348 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 169' ' ' LYS . . . . . 0.787 ' HZ2' ' HA ' ' B' ' 169' ' ' LYS . 0.0 OUTLIER -121.9 157.55 30.94 Favored 'General case' 0 C--O 1.183 -2.414 0 N-CA-C 109.58 -0.526 . . . . 47.38 109.58 170.356 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 34.7 tp -103.8 132.95 49.57 Favored 'General case' 0 CA--C 1.496 -1.115 0 N-CA-C 108.683 -0.858 . . . . 25.05 108.683 -175.353 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 171' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -128.18 156.65 42.57 Favored 'General case' 0 CA--C 1.49 -1.351 0 CA-C-O 118.114 -0.946 . . . . 25.5 110.03 -177.051 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 172' ' ' ARG . . . . . 0.426 ' HD3' ' CZ ' ' B' ' 163' ' ' TYR . 4.9 mmm180 -110.07 129.49 55.68 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 104.831 -2.285 . . . . 32.6 104.831 175.844 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -131.91 135.79 46.9 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 107.568 -1.271 . . . . 20.58 107.568 -176.931 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 174' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -112.7 136.63 52.07 Favored 'General case' 0 C--O 1.203 -1.358 0 N-CA-C 107.904 -1.147 . . . . 26.72 107.904 173.752 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 175' ' ' ILE . . . . . 0.433 HD11 ' HB2' ' B' ' 119' ' ' ALA . 28.1 mt -137.14 139.09 44.8 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 N-CA-C 107.267 -1.383 . . . . 28.14 107.267 -172.707 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 176' ' ' SER . . . . . . . . . . . . . 93.9 p -108.24 151.5 25.86 Favored 'General case' 0 C--O 1.256 1.431 0 N-CA-C 105.124 -2.176 . . . . 25.9 105.124 174.033 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -137.19 133.12 34.82 Favored 'General case' 0 C--O 1.254 1.335 0 CA-C-N 114.715 -1.13 . . . . 35.4 108.532 175.631 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 178' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -85.42 129.51 34.8 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 114.168 -1.378 . . . . 27.93 107.467 -179.419 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 179' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -68.76 -42.92 76.81 Favored 'General case' 0 C--O 1.188 -2.155 0 C-N-CA 118.967 -1.093 . . . . 41.99 110.724 -171.056 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 180' ' ' LYS . . . . . 0.486 ' CD ' ' O ' ' B' ' 35' ' ' HOH . 17.3 mttp -75.83 -35.04 60.11 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 117.405 2.372 . . . . 49.76 117.405 -178.749 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 181' ' ' THR . . . . . . . . . . . . . 77.4 p -97.15 -17.62 19.8 Favored 'General case' 0 CA--C 1.506 -0.742 0 C-N-CA 118.341 -1.344 . . . . 20.41 111.848 -173.474 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 11.8 mtt85 63.49 20.52 12.29 Favored 'General case' 0 N--CA 1.437 -1.11 0 O-C-N 124.533 1.146 . . . . 54.53 112.023 -169.04 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 183' ' ' GLY . . . . . . . . . . . . . . . -75.75 144.25 31.14 Favored Glycine 0 C--O 1.206 -1.623 0 C-N-CA 118.353 -1.879 . . . . 20.48 108.419 177.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 184' ' ' ARG . . . . . . . . . . . . 0.258 91.9 mtt180 -121.92 159.87 25.98 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-N 119.265 1.532 . . . . 32.88 107.726 177.143 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 185' ' ' LYS . . . . . . . . . . . . . 35.5 mttt -135.08 139.34 44.64 Favored 'General case' 0 C--O 1.29 3.216 0 N-CA-C 107.527 -1.286 . . . . 52.87 107.527 175.133 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 186' ' ' LEU . . . . . . . . . . . . . 51.3 tp -82.18 115.71 21.4 Favored 'General case' 0 C--O 1.203 -1.362 0 N-CA-C 106.361 -1.718 . . . . 23.94 106.361 172.907 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 187' ' ' LEU . . . . . . . . . . . . . 73.7 mt -88.07 -42.0 12.69 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 107.542 -1.281 . . . . 26.78 107.542 -175.024 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 188' ' ' ARG . . . . . . . . . . . . 0.261 45.9 mtm-85 -154.5 148.1 25.28 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.651 -0.87 . . . . 46.22 108.651 -176.631 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 189' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -144.15 116.71 8.63 Favored 'General case' 0 C--O 1.256 1.422 0 N-CA-C 104.03 -2.582 . . . . 26.14 104.03 177.271 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 190' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -135.13 146.3 48.67 Favored 'General case' 0 N--CA 1.497 1.905 0 C-N-CA 118.992 -1.083 . . . . 44.73 113.841 -171.899 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 191' ' ' GLY . . . . . . . . . . . . . . . 157.89 -162.87 32.42 Favored Glycine 0 CA--C 1.501 -0.813 0 C-N-CA 119.804 -1.189 . . . . 27.12 110.3 167.993 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 192' ' ' PRO . . . . . 0.587 ' HB3' ' HE3' ' B' ' 169' ' ' LYS . 17.7 Cg_exo -66.43 153.14 82.11 Favored 'Cis proline' 0 C--N 1.306 -1.697 0 O-C-N 122.927 0.962 . . . . 32.12 113.96 -0.679 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 193' ' ' VAL . . . . . . . . . . . . . 32.9 m -122.94 161.78 42.59 Favored Pre-proline 0 C--O 1.187 -2.228 0 CA-C-N 115.358 -0.837 . . . . 29.33 110.884 179.061 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 194' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -75.58 152.3 37.96 Favored 'Trans proline' 0 C--N 1.311 -1.447 0 C-N-CA 121.687 1.591 . . . . 32.51 109.381 177.665 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 195' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -64.96 147.69 89.3 Favored 'Trans proline' 0 C--N 1.304 -1.785 0 CA-C-O 122.308 0.878 . . . . 35.82 110.692 -179.29 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 196' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo . . . . . 0 C--N 1.311 -1.421 0 CA-C-O 126.345 2.561 . . . . 33.95 106.688 -179.145 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 10' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 11' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 16' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 19' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 20' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 21' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 26' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 35' ' ' HOH . . . . . 0.486 ' O ' ' CD ' ' B' ' 180' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 63' ' ' HOH . . . . . 0.972 ' O ' ' CA ' ' B' ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 73' ' ' HOH . . . . . 0.409 ' O ' ' HB3' ' B' ' 114' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.675 0 N-CA-C 111.462 -0.655 . . . . 43.81 111.462 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -128.56 133.1 48.29 Favored 'General case' 0 CA--C 1.575 1.907 0 N-CA-C 108.597 -0.89 . . . . 61.96 108.597 -178.94 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.49 ' CZ3' ' HB2' ' A' ' 44' ' ' LYS . 91.8 m95 -122.4 145.0 48.68 Favored 'General case' 0 C--O 1.266 1.964 0 CA-C-N 115.102 -0.954 . . . . 36.03 110.825 -171.266 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -150.69 161.12 43.22 Favored 'General case' 0 CA--C 1.583 2.238 0 N-CA-C 105.846 -1.909 . . . . 34.6 105.846 176.142 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.1 mt -96.21 134.91 32.06 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.676 0 N-CA-C 107.72 -1.215 . . . . 32.89 107.72 173.93 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.9 pt -120.06 156.02 22.92 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.054 0 N-CA-C 106.169 -1.789 . . . . 19.52 106.169 174.98 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -83.06 -168.88 2.25 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 124.726 1.267 . . . . 30.5 114.236 -176.238 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.2 pt -117.99 40.78 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.497 -1.064 0 C-N-CA 118.957 -1.097 . . . . 24.03 111.817 -170.771 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.74 -173.99 8.95 Favored Glycine 0 CA--C 1.572 3.649 0 CA-C-O 125.02 2.456 . . . . 16.19 112.496 170.431 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -57.99 -36.43 98.08 Favored 'Trans proline' 0 C--O 1.261 1.653 0 C-N-CA 121.623 1.549 . . . . 22.31 113.89 -173.813 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -59.39 -44.32 92.81 Favored 'General case' 0 C--N 1.308 -1.197 0 C-N-CA 116.246 -2.181 . . . . 25.99 110.692 176.416 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 85.5 m -71.18 -35.11 71.48 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.537 -0.756 . . . . 16.34 111.977 -178.497 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -67.7 -34.06 76.13 Favored 'General case' 0 C--O 1.256 1.408 0 C-N-CA 117.688 -1.605 . . . . 15.82 108.766 178.854 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -70.92 -27.54 63.85 Favored 'General case' 0 C--O 1.212 -0.89 0 O-C-N 124.325 1.015 . . . . 25.37 112.279 179.736 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.8 mt -67.13 -40.99 86.86 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 106.588 -1.634 . . . . 19.62 106.588 173.737 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.35 -47.66 89.75 Favored Glycine 0 C--O 1.247 0.925 0 C-N-CA 119.533 -1.318 . . . . 16.91 112.286 177.424 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.6 tttt -63.15 -39.55 94.99 Favored 'General case' 0 C--O 1.174 -2.872 0 N-CA-C 108.575 -0.898 . . . . 45.37 108.575 -179.025 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -54.58 -45.35 73.56 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-O 122.615 1.198 . . . . 20.58 109.465 175.045 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.34 -41.42 85.25 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 117.894 -1.523 . . . . 14.34 111.432 -173.98 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 42.4 t -68.4 -42.23 83.93 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.432 0 C-N-CA 119.563 -0.855 . . . . 17.93 109.83 -179.299 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -58.53 -44.81 89.72 Favored 'General case' 0 C--O 1.264 1.822 0 C-N-CA 117.711 -1.596 . . . . 22.5 112.336 176.894 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -61.59 -48.15 82.23 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.6 -0.889 . . . . 25.82 108.6 178.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -62.05 -36.01 80.34 Favored 'General case' 0 C--O 1.192 -1.925 0 C-N-CA 117.707 -1.597 . . . . 25.25 113.329 -178.578 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -63.48 -21.41 66.3 Favored 'General case' 0 C--N 1.31 -1.132 0 O-C-N 121.474 -0.766 . . . . 21.34 111.541 178.254 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -71.71 -26.31 62.44 Favored 'General case' 0 C--O 1.221 -0.43 0 C-N-CA 119.075 -1.05 . . . . 36.39 109.605 177.916 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.3 mt -81.09 -44.76 20.98 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.329 0 N-CA-C 108.116 -1.068 . . . . 30.44 108.116 -173.669 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.02 17.47 78.33 Favored Glycine 0 C--O 1.275 2.698 0 O-C-N 124.67 1.231 . . . . 16.98 114.221 173.765 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -76.69 -33.73 58.23 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 113.03 0.752 . . . . 33.51 113.03 174.419 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -93.03 153.32 18.78 Favored 'General case' 0 C--O 1.202 -1.42 0 CA-C-N 115.161 -0.927 . . . . 25.12 109.635 167.442 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -58.04 159.46 14.07 Favored Glycine 0 C--O 1.21 -1.379 0 N-CA-C 108.956 -1.658 . . . . 23.4 108.956 173.451 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.0 ttt-85 -50.75 132.02 26.14 Favored 'General case' 0 N--CA 1.42 -1.939 0 O-C-N 121.758 -0.848 . . . . 62.02 112.111 -177.598 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 42.5 mt -114.1 137.39 51.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.024 0.828 . . . . 27.31 109.754 -172.166 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 52.3 m -107.89 117.58 34.5 Favored 'General case' 0 CA--C 1.558 1.287 0 N-CA-C 105.915 -1.883 . . . . 25.11 105.915 177.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -57.15 129.06 40.09 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 113.416 0.895 . . . . 21.09 113.416 177.021 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -107.13 -63.68 1.27 Allowed 'General case' 0 CA--C 1.593 2.624 0 CA-C-O 122.663 1.221 . . . . 28.56 110.701 175.14 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 48.3 tttt -171.84 158.14 4.76 Favored 'General case' 0 C--O 1.2 -1.552 0 O-C-N 120.002 -1.686 . . . . 45.83 112.151 179.251 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 75.4 t -93.5 141.2 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.334 0 N-CA-C 108.961 -0.755 . . . . 15.78 108.961 169.114 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 27.6 pt -117.01 166.8 10.96 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.584 0 O-C-N 121.478 -0.764 . . . . 16.98 112.181 175.631 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.2 mtt85 -70.78 153.19 94.97 Favored Pre-proline 0 C--O 1.205 -1.255 0 C-N-CA 120.867 -0.333 . . . . 32.14 110.69 174.069 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -95.97 154.54 11.15 Favored 'Cis proline' 0 C--O 1.195 -1.672 0 CA-C-O 116.247 -1.647 . . . . 17.94 109.855 -0.612 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 34.9 t -115.88 127.91 55.37 Favored 'General case' 0 C--O 1.197 -1.661 0 N-CA-C 107.219 -1.401 . . . . 21.64 107.219 176.966 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 34.1 mtp -107.25 143.08 36.01 Favored 'General case' 0 C--N 1.31 -1.117 0 C-N-CA 119.015 -1.074 . . . . 49.98 109.926 -176.042 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 70.6 tttt -126.41 124.45 40.2 Favored 'General case' 0 CA--C 1.558 1.288 0 N-CA-C 106.568 -1.642 . . . . 32.67 106.568 -178.441 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.49 ' HB2' ' CZ3' ' A' ' 3' ' ' TRP . 61.7 tttt -110.65 134.77 52.15 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 106.842 -1.54 . . . . 31.36 106.842 -178.961 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.7 m -102.61 125.47 49.35 Favored 'General case' 0 C--O 1.248 1.02 0 N-CA-C 105.599 -2.0 . . . . 24.26 105.599 177.325 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 96.3 mt -104.33 124.38 58.77 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.516 0 N-CA-C 109.054 -0.721 . . . . 32.54 109.054 -177.99 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -100.1 149.69 23.25 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 113.32 0.859 . . . . 36.86 113.32 -177.499 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -57.48 148.62 23.1 Favored 'General case' 0 N--CA 1.492 1.66 0 CA-C-O 122.063 0.935 . . . . 45.86 110.638 174.276 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -59.33 -46.86 87.45 Favored 'General case' 0 CA--C 1.498 -1.031 0 O-C-N 121.711 -0.618 . . . . 61.19 110.004 -175.303 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -109.45 144.32 37.84 Favored 'General case' 0 CA--C 1.5 -0.97 0 O-C-N 124.888 1.367 . . . . 47.49 107.712 -177.301 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 117.01 171.88 15.95 Favored Glycine 0 CA--C 1.482 -2.006 0 N-CA-C 103.935 -3.666 . . . . 46.62 103.935 178.93 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -117.48 115.46 25.22 Favored 'General case' 0 N--CA 1.42 -1.969 0 N-CA-C 105.358 -2.09 . . . . 45.18 105.358 -176.56 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.7 mtt-85 52.86 34.05 15.7 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 115.439 1.644 . . . . 69.33 115.439 177.167 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.596 ' HA ' ' OE1' ' A' ' 54' ' ' GLU . 5.1 mm-40 -86.58 116.78 24.92 Favored 'General case' 0 C--O 1.194 -1.817 0 N-CA-C 107.177 -1.416 . . . . 58.71 107.177 175.219 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 61.7 mt -75.41 128.18 37.08 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.224 0 N-CA-C 113.698 0.999 . . . . 33.72 113.698 178.656 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.8 tttm -90.65 -40.92 11.61 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.509 -0.923 . . . . 43.32 108.509 175.945 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 177.0 -172.84 45.8 Favored Glycine 0 CA--C 1.542 1.768 0 C-N-CA 118.135 -1.983 . . . . 18.34 111.23 -175.49 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -132.5 164.05 27.44 Favored 'General case' 0 CA--C 1.496 -1.104 0 N-CA-C 108.032 -1.099 . . . . 33.64 108.032 178.593 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -136.03 142.33 44.42 Favored 'General case' 0 C--O 1.211 -0.951 0 N-CA-C 105.29 -2.115 . . . . 43.32 105.29 172.278 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -124.93 134.23 52.73 Favored 'General case' 0 C--N 1.306 -1.302 0 N-CA-C 105.449 -2.056 . . . . 23.61 105.449 -175.075 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -111.71 117.84 33.98 Favored 'General case' 0 CA--C 1.498 -1.054 0 N-CA-C 107.046 -1.464 . . . . 38.22 107.046 177.876 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.6 mp -116.96 152.7 34.02 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 127.438 2.961 . . . . 31.19 115.145 -174.687 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -108.8 117.01 33.08 Favored 'General case' 0 CA--C 1.503 -0.833 0 N-CA-C 103.775 -2.676 . . . . 27.64 103.775 168.996 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.0 t -129.18 128.62 67.03 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.034 0 O-C-N 122.023 -0.423 . . . . 24.35 111.779 -174.51 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -87.66 126.94 35.25 Favored 'General case' 0 C--O 1.203 -1.349 0 N-CA-C 105.252 -2.129 . . . . 23.39 105.252 172.36 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -145.43 133.99 22.06 Favored 'General case' 0 N--CA 1.422 -1.854 0 N-CA-C 107.127 -1.434 . . . . 17.4 107.127 172.381 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.9 m 47.64 44.03 16.96 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 107.978 -1.119 . . . . 24.98 107.978 -173.438 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 63.72 17.61 10.57 Favored 'General case' 0 C--O 1.249 1.058 0 N-CA-C 120.992 3.701 . . . . 50.53 120.992 175.56 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.0 mtmm -128.69 156.71 43.04 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 105.193 -2.151 . . . . 51.15 105.193 -179.818 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.27 125.99 50.21 Favored 'General case' 0 C--O 1.259 1.578 0 O-C-N 123.927 0.767 . . . . 24.22 112.143 -171.678 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -124.33 165.47 17.62 Favored 'General case' 0 C--O 1.257 1.449 0 C-N-CA 118.413 -1.315 . . . . 21.2 110.815 178.466 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -112.71 129.11 56.52 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 103.599 -2.741 . . . . 29.49 103.599 177.734 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -126.88 139.05 53.36 Favored 'General case' 0 CA--C 1.556 1.201 0 N-CA-C 106.504 -1.665 . . . . 18.58 106.504 -179.273 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -113.34 134.56 54.56 Favored 'General case' 0 N--CA 1.505 2.303 0 N-CA-C 107.76 -1.2 . . . . 29.47 107.76 173.279 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 80.8 mt -128.52 138.1 55.54 Favored 'Isoleucine or valine' 0 C--O 1.256 1.399 0 CA-C-O 116.805 -1.569 . . . . 24.47 107.07 -174.723 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 78.2 p -104.0 150.76 23.95 Favored 'General case' 0 C--O 1.253 1.264 0 CA-C-O 122.952 1.358 . . . . 29.45 109.0 174.236 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -138.98 121.19 15.83 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 102.258 -3.238 . . . . 27.25 102.258 179.076 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -69.76 136.47 50.95 Favored 'General case' 0 C--O 1.211 -0.939 0 CA-C-O 121.303 0.573 . . . . 36.16 110.558 176.108 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -70.75 -37.17 73.41 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 119.691 -1.881 . . . . 34.86 114.215 -177.242 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -73.03 -45.26 58.61 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 116.3 1.963 . . . . 43.97 116.3 -176.693 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 82.7 p -109.94 -8.5 14.84 Favored 'General case' 0 C--O 1.211 -0.938 0 N-CA-C 114.39 1.256 . . . . 27.25 114.39 -179.553 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.462 ' HA ' ' HD2' ' A' ' 82' ' ' ARG . 0.0 OUTLIER 63.58 27.87 15.05 Favored 'General case' 0 C--O 1.182 -2.47 0 CA-C-O 118.378 -0.82 . . . . 46.81 112.197 176.297 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -72.95 148.36 41.22 Favored Glycine 0 N--CA 1.438 -1.184 0 O-C-N 124.001 0.813 . . . . 22.46 112.6 168.93 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -119.22 151.22 38.76 Favored 'General case' 0 C--O 1.29 3.185 0 C-N-CA 119.17 -1.012 . . . . 23.17 110.095 -175.01 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -139.75 138.03 35.58 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 124.978 1.424 . . . . 51.17 111.024 174.593 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.5 tp -78.62 122.21 25.65 Favored 'General case' 0 C--O 1.218 -0.605 0 CA-C-O 116.813 -1.565 . . . . 18.23 107.067 173.984 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 35.1 mt -88.63 -43.46 11.33 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 119.961 1.255 . . . . 27.18 111.809 177.807 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.9 mtt-85 -156.03 156.15 33.92 Favored 'General case' 0 CA--C 1.467 -2.222 0 C-N-CA 119.867 -0.733 . . . . 68.87 110.347 179.746 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -151.08 113.77 4.68 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 106.278 -1.749 . . . . 23.21 106.278 -178.123 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -136.83 153.26 50.84 Favored 'General case' 0 CA--C 1.493 -1.217 0 N-CA-C 109.006 -0.738 . . . . 45.12 109.006 -168.028 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 148.21 -167.37 29.0 Favored Glycine 0 C--O 1.201 -1.918 0 C-N-CA 119.854 -1.165 . . . . 24.75 110.331 171.281 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -66.83 152.82 83.48 Favored 'Cis proline' 0 C--O 1.174 -2.717 0 CA-C-O 115.79 -1.837 . . . . 30.5 113.306 3.675 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 26.8 m -119.91 163.17 29.33 Favored Pre-proline 0 N--CA 1.418 -2.047 0 CA-C-N 119.863 1.21 . . . . 24.09 110.564 178.195 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -67.87 142.09 56.11 Favored 'Trans proline' 0 C--O 1.179 -2.454 0 CA-C-O 116.761 -1.433 . . . . 30.93 112.055 178.037 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -60.5 145.54 98.56 Favored 'Trans proline' 0 C--N 1.307 -1.649 0 CA-C-N 121.647 1.624 . . . . 32.72 113.099 174.783 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo . . . . . 0 C--N 1.296 -2.193 0 N-CA-C 107.403 -1.806 . . . . 30.77 107.403 -177.407 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' GLY . . . . . 0.972 ' CA ' ' O ' ' B' ' 63' ' ' HOH . . . . . . . . 0 N--CA 1.503 3.156 0 N-CA-C 109.678 -1.369 . . . . 47.76 109.678 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -112.49 136.72 51.67 Favored 'General case' 0 C--O 1.259 1.559 0 N-CA-C 106.567 -1.642 . . . . 58.23 106.567 -173.69 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' TRP . . . . . . . . . . . . . 70.8 m95 -115.62 148.49 39.58 Favored 'General case' 0 C--O 1.285 2.969 0 CA-C-N 114.61 -1.177 . . . . 30.07 108.356 -176.262 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -153.13 153.02 31.97 Favored 'General case' 0 C--O 1.2 -1.534 0 N-CA-C 107.339 -1.356 . . . . 40.79 107.339 176.016 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 58.1 mt -91.66 131.8 37.81 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.021 0 N-CA-C 107.564 -1.273 . . . . 30.39 107.564 175.459 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 34.2 pt -114.22 159.5 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.102 0 C-N-CA 117.669 -1.612 . . . . 30.92 108.074 -178.736 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' ASP . . . . . 0.651 ' OD1' ' NH2' ' B' ' 139' ' ' ARG . 15.2 t0 -76.05 159.9 30.34 Favored 'General case' 0 C--O 1.195 -1.796 0 CA-C-O 118.574 -0.727 . . . . 47.48 109.916 -179.545 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 45.6 pt -96.97 49.03 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.117 0 N-CA-C 120.34 3.459 . . . . 38.06 120.34 -174.428 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' GLY . . . . . . . . . . . . . . . -74.43 -163.3 9.78 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 117.502 1.761 . . . . 29.91 117.502 177.336 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -51.93 -37.21 66.6 Favored 'Trans proline' 0 C--O 1.255 1.327 0 C-N-CA 123.468 2.779 . . . . 27.34 113.632 -176.08 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -63.87 -47.02 82.35 Favored 'General case' 0 C--O 1.212 -0.871 0 C-N-CA 118.037 -1.465 . . . . 31.32 109.689 -178.346 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . 0.271 30.5 p -60.94 -36.24 78.82 Favored 'General case' 0 CA--C 1.491 -1.319 0 N-CA-C 117.631 2.456 . . . . 33.41 117.631 173.704 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 88.5 mm-40 -67.19 -38.4 85.31 Favored 'General case' 0 N--CA 1.433 -1.278 0 N-CA-C 105.835 -1.913 . . . . 30.18 105.835 178.32 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' ASN . . . . . 0.409 ' HB3' ' O ' ' B' ' 73' ' ' HOH . 0.3 OUTLIER -62.75 -36.86 84.41 Favored 'General case' 0 C--N 1.306 -1.308 0 C-N-CA 118.683 -1.207 . . . . 44.22 113.504 178.991 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 15.8 mt -61.29 -41.66 97.33 Favored 'General case' 0 CA--C 1.57 1.737 0 CA-C-N 114.53 -1.213 . . . . 26.39 110.595 176.159 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -60.49 -45.93 95.32 Favored Glycine 0 C--O 1.254 1.389 0 CA-C-O 124.254 2.03 . . . . 21.09 111.501 176.806 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' LYS . . . . . 0.632 ' HD3' ' O ' ' B' ' 117' ' ' LYS . 0.2 OUTLIER -62.43 -41.55 98.8 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 117.747 -1.581 . . . . 50.64 108.958 -177.801 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 118' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -58.0 -46.95 84.41 Favored 'General case' 0 CA--C 1.562 1.423 0 CA-C-N 115.064 -0.971 . . . . 22.73 110.759 176.15 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 119' ' ' ALA . . . . . 0.433 ' HB2' HD11 ' B' ' 175' ' ' ILE . . . -55.9 -48.37 75.75 Favored 'General case' 0 N--CA 1.433 -1.289 0 C-N-CA 119.45 -0.9 . . . . 20.5 110.512 178.777 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 57.3 t -68.98 -40.22 80.71 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.855 0 C-N-CA 118.705 -1.198 . . . . 22.01 109.953 -174.551 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 121' ' ' ASP . . . . . 0.425 ' OD1' ' HE2' ' B' ' 117' ' ' LYS . 94.0 m-20 -60.54 -42.0 95.63 Favored 'General case' 0 C--O 1.251 1.161 0 C-N-CA 117.025 -1.87 . . . . 26.01 107.633 -178.942 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -67.85 -37.04 81.35 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 119.214 -0.994 . . . . 31.54 112.826 -176.794 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 123' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -73.95 -28.47 61.52 Favored 'General case' 0 N--CA 1.438 -1.049 0 N-CA-C 107.656 -1.239 . . . . 29.99 107.656 -177.139 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 124' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -61.22 -32.24 72.02 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 117.78 -1.568 . . . . 24.22 110.273 177.144 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -64.3 -23.7 67.39 Favored 'General case' 0 CA--C 1.486 -1.498 0 N-CA-C 113.38 0.881 . . . . 39.16 113.38 176.337 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 126' ' ' ILE . . . . . . . . . . . . . 23.4 mt -85.43 -37.87 12.48 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.198 0 C-N-CA 120.539 -0.464 . . . . 32.86 110.523 -179.3 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 88.03 -4.54 85.53 Favored Glycine 0 C--O 1.208 -1.47 0 N-CA-C 117.572 1.789 . . . . 24.37 117.572 176.201 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -63.9 -24.59 67.79 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 115.233 1.568 . . . . 47.56 115.233 -174.576 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 129' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -111.04 19.67 18.22 Favored 'General case' 0 C--O 1.198 -1.641 0 N-CA-C 114.654 1.353 . . . . 33.75 114.654 175.098 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . 68.55 -167.34 44.56 Favored Glycine 0 CA--C 1.493 -1.285 0 C-N-CA 117.947 -2.073 . . . . 25.41 108.693 -171.354 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 131' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' B' ' 131' ' ' ARG . 1.0 OUTLIER -89.38 112.7 23.88 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 105.941 -1.874 . . . . 41.39 105.941 -173.328 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 64.8 mt -91.25 154.61 19.16 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 119.622 1.101 . . . . 28.48 112.089 178.674 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 133' ' ' THR . . . . . . . . . . . . . 1.5 t -117.98 126.14 51.76 Favored 'General case' 0 N--CA 1.437 -1.12 0 N-CA-C 106.816 -1.55 . . . . 32.11 106.816 176.638 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 134' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -66.28 137.48 56.97 Favored 'General case' 0 C--N 1.303 -1.429 0 C-N-CA 120.059 -0.656 . . . . 29.22 110.367 -172.55 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 135' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -113.56 -59.9 1.96 Allowed 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 104.27 -2.492 . . . . 35.45 104.27 178.52 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 33.1 pttt -178.44 160.73 1.3 Allowed 'General case' 0 N--CA 1.448 -0.569 0 O-C-N 120.622 -1.299 . . . . 50.94 113.913 -174.436 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 137' ' ' VAL . . . . . . . . . . . . . 69.4 t -100.02 137.34 27.82 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.495 0 CA-C-N 113.874 -1.512 . . . . 21.32 107.346 175.482 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 34.5 pt -113.48 170.15 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 CA-C-O 122.248 1.023 . . . . 21.62 112.241 173.382 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 139' ' ' ARG . . . . . 0.651 ' NH2' ' OD1' ' B' ' 107' ' ' ASP . 88.3 mtt-85 -71.56 151.26 93.76 Favored Pre-proline 0 C--O 1.208 -1.107 0 CA-C-N 115.226 -0.897 . . . . 46.51 111.414 172.79 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 140' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -89.52 149.16 24.01 Favored 'Cis proline' 0 C--N 1.304 -1.777 0 CA-C-N 119.558 0.878 . . . . 21.99 113.649 -2.772 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 141' ' ' CYS . . . . . . . . . . . . . 48.5 t -115.14 125.63 53.68 Favored 'General case' 0 C--N 1.311 -1.095 0 N-CA-C 107.592 -1.262 . . . . 23.84 107.592 175.888 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 142' ' ' MET . . . . . . . . . . . . . 26.0 mmm -106.06 136.75 45.19 Favored 'General case' 0 CA--C 1.515 -0.385 0 C-N-CA 122.906 0.483 . . . . 47.2 110.547 -176.535 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 51.7 tttt -124.44 131.26 53.5 Favored 'General case' 0 N--CA 1.41 -2.427 0 N-CA-C 112.06 0.393 . . . . 36.14 112.06 176.413 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 51.8 tttt -109.35 134.78 51.39 Favored 'General case' 0 C--O 1.276 2.453 0 N-CA-C 106.482 -1.673 . . . . 34.57 106.482 175.983 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 145' ' ' THR . . . . . . . . . . . . . 36.5 m -102.79 130.36 49.75 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 108.723 -0.843 . . . . 25.78 108.723 175.258 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 146' ' ' ILE . . . . . . . . . . . . . 35.7 mt -111.02 137.09 44.96 Favored 'Isoleucine or valine' 0 C--O 1.249 1.056 0 CA-C-O 122.846 1.308 . . . . 34.0 110.421 179.336 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 147' ' ' TYR . . . . . 0.548 ' O ' ' O ' ' B' ' 148' ' ' GLU . 85.5 m-85 -115.49 177.3 4.72 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 118.546 -1.262 . . . . 49.17 107.658 -173.372 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 148' ' ' GLU . . . . . 0.548 ' O ' ' O ' ' B' ' 147' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.757 0 N-CA-C 120.31 3.448 . . . . 73.19 120.31 171.906 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 153' ' ' ARG . . . . . . . . . . . . . 7.1 ttp85 . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 120.956 0.408 . . . . 72.44 109.907 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 154' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -88.75 131.91 34.84 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 122.359 0.264 . . . . 66.63 111.405 -176.941 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -73.0 123.5 27.96 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.305 0 C-N-CA 123.324 0.649 . . . . 43.68 111.995 -177.3 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 156' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -84.93 -37.3 20.7 Favored 'General case' 0 CA--C 1.566 1.564 0 CA-C-N 118.826 0.739 . . . . 53.36 111.095 168.529 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 157' ' ' GLY . . . . . . . . . . . . . . . 176.22 -167.42 39.04 Favored Glycine 0 C--N 1.333 0.365 0 O-C-N 121.125 -0.984 . . . . 27.92 111.838 -178.885 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 158' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -136.44 162.96 31.62 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.92 0.36 . . . . 32.27 110.034 -177.29 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 159' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -132.68 146.74 52.11 Favored 'General case' 0 C--O 1.278 2.554 0 N-CA-C 108.325 -0.991 . . . . 35.33 108.325 166.49 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -127.81 144.08 51.1 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 117.882 -1.527 . . . . 33.55 108.272 -177.347 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 161' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -114.25 122.0 45.4 Favored 'General case' 0 C--N 1.311 -1.101 0 N-CA-C 103.46 -2.793 . . . . 33.24 103.46 174.08 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 162' ' ' LEU . . . . . . . . . . . . 0.252 3.4 mt -122.03 150.95 41.37 Favored 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 118.31 -1.356 . . . . 30.36 110.935 -172.894 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 163' ' ' TYR . . . . . 0.426 ' CZ ' ' HD3' ' B' ' 172' ' ' ARG . 49.2 m-85 -105.7 121.79 44.74 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 107.344 -1.354 . . . . 34.01 107.344 163.235 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 164' ' ' VAL . . . . . . . . . . . . 0.287 20.8 t -126.09 124.72 66.58 Favored 'Isoleucine or valine' 0 C--O 1.186 -2.263 0 CA-C-N 120.253 1.388 . . . . 25.7 111.085 -173.328 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 165' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -84.94 126.55 33.6 Favored 'General case' 0 CA--C 1.481 -1.683 0 CA-C-N 119.739 1.154 . . . . 34.43 109.504 172.812 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -141.09 136.63 32.15 Favored 'General case' 0 C--O 1.21 -1.012 0 CA-C-O 121.784 0.802 . . . . 23.13 108.866 175.736 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 22.8 m 44.49 43.33 6.24 Favored 'General case' 0 C--O 1.208 -1.125 0 CA-C-N 113.914 -1.494 . . . . 29.79 110.75 -171.314 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 168' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 64.06 17.65 10.75 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 118.557 2.799 . . . . 47.3 118.557 -179.348 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 169' ' ' LYS . . . . . 0.787 ' HZ2' ' HA ' ' B' ' 169' ' ' LYS . 0.0 OUTLIER -121.9 157.55 30.94 Favored 'General case' 0 C--O 1.183 -2.414 0 N-CA-C 109.58 -0.526 . . . . 47.38 109.58 170.356 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 34.7 tp -103.8 132.95 49.57 Favored 'General case' 0 CA--C 1.496 -1.115 0 N-CA-C 108.683 -0.858 . . . . 25.05 108.683 -175.353 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 171' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -128.18 156.65 42.57 Favored 'General case' 0 CA--C 1.49 -1.351 0 CA-C-O 118.114 -0.946 . . . . 25.5 110.03 -177.051 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 172' ' ' ARG . . . . . 0.426 ' HD3' ' CZ ' ' B' ' 163' ' ' TYR . 4.9 mmm180 -110.07 129.49 55.68 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 104.831 -2.285 . . . . 32.6 104.831 175.844 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 173' ' ' ALA . . . . . . . . . . . . . . . -131.91 135.79 46.9 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 107.568 -1.271 . . . . 20.58 107.568 -176.931 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 174' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -112.7 136.63 52.07 Favored 'General case' 0 C--O 1.203 -1.358 0 N-CA-C 107.904 -1.147 . . . . 26.72 107.904 173.752 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 175' ' ' ILE . . . . . 0.433 HD11 ' HB2' ' B' ' 119' ' ' ALA . 28.1 mt -137.14 139.09 44.8 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 N-CA-C 107.267 -1.383 . . . . 28.14 107.267 -172.707 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 176' ' ' SER . . . . . . . . . . . . . 93.9 p -108.24 151.5 25.86 Favored 'General case' 0 C--O 1.256 1.431 0 N-CA-C 105.124 -2.176 . . . . 25.9 105.124 174.033 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 177' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -137.19 133.12 34.82 Favored 'General case' 0 C--O 1.254 1.335 0 CA-C-N 114.715 -1.13 . . . . 35.4 108.532 175.631 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 178' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -85.42 129.51 34.8 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 114.168 -1.378 . . . . 27.93 107.467 -179.419 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 179' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -68.76 -42.92 76.81 Favored 'General case' 0 C--O 1.188 -2.155 0 C-N-CA 118.967 -1.093 . . . . 41.99 110.724 -171.056 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 180' ' ' LYS . . . . . 0.486 ' CD ' ' O ' ' B' ' 35' ' ' HOH . 17.3 mttp -75.83 -35.04 60.11 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 117.405 2.372 . . . . 49.76 117.405 -178.749 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 181' ' ' THR . . . . . . . . . . . . . 77.4 p -97.15 -17.62 19.8 Favored 'General case' 0 CA--C 1.506 -0.742 0 C-N-CA 118.341 -1.344 . . . . 20.41 111.848 -173.474 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 11.8 mtt85 63.49 20.52 12.29 Favored 'General case' 0 N--CA 1.437 -1.11 0 O-C-N 124.533 1.146 . . . . 54.53 112.023 -169.04 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 183' ' ' GLY . . . . . . . . . . . . . . . -75.75 144.25 31.14 Favored Glycine 0 C--O 1.206 -1.623 0 C-N-CA 118.353 -1.879 . . . . 20.48 108.419 177.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 184' ' ' ARG . . . . . . . . . . . . 0.258 91.9 mtt180 -121.92 159.87 25.98 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-N 119.265 1.532 . . . . 32.88 107.726 177.143 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 185' ' ' LYS . . . . . . . . . . . . . 35.5 mttt -135.08 139.34 44.64 Favored 'General case' 0 C--O 1.29 3.216 0 N-CA-C 107.527 -1.286 . . . . 52.87 107.527 175.133 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 186' ' ' LEU . . . . . . . . . . . . . 51.3 tp -82.18 115.71 21.4 Favored 'General case' 0 C--O 1.203 -1.362 0 N-CA-C 106.361 -1.718 . . . . 23.94 106.361 172.907 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 187' ' ' LEU . . . . . . . . . . . . . 73.7 mt -88.07 -42.0 12.69 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 107.542 -1.281 . . . . 26.78 107.542 -175.024 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 188' ' ' ARG . . . . . . . . . . . . 0.261 45.9 mtm-85 -154.5 148.1 25.28 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.651 -0.87 . . . . 46.22 108.651 -176.631 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 189' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -144.15 116.71 8.63 Favored 'General case' 0 C--O 1.256 1.422 0 N-CA-C 104.03 -2.582 . . . . 26.14 104.03 177.271 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 190' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -135.13 146.3 48.67 Favored 'General case' 0 N--CA 1.497 1.905 0 C-N-CA 118.992 -1.083 . . . . 44.73 113.841 -171.899 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 191' ' ' GLY . . . . . . . . . . . . . . . 157.89 -162.87 32.42 Favored Glycine 0 CA--C 1.501 -0.813 0 C-N-CA 119.804 -1.189 . . . . 27.12 110.3 167.993 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 192' ' ' PRO . . . . . 0.587 ' HB3' ' HE3' ' B' ' 169' ' ' LYS . 17.7 Cg_exo -66.43 153.14 82.11 Favored 'Cis proline' 0 C--N 1.306 -1.697 0 O-C-N 122.927 0.962 . . . . 32.12 113.96 -0.679 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 193' ' ' VAL . . . . . . . . . . . . . 32.9 m -122.94 161.78 42.59 Favored Pre-proline 0 C--O 1.187 -2.228 0 CA-C-N 115.358 -0.837 . . . . 29.33 110.884 179.061 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 194' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -75.58 152.3 37.96 Favored 'Trans proline' 0 C--N 1.311 -1.447 0 C-N-CA 121.687 1.591 . . . . 32.51 109.381 177.665 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 195' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -64.96 147.69 89.3 Favored 'Trans proline' 0 C--N 1.304 -1.785 0 CA-C-O 122.308 0.878 . . . . 35.82 110.692 -179.29 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 196' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo . . . . . 0 C--N 1.311 -1.421 0 CA-C-O 126.345 2.561 . . . . 33.95 106.688 -179.145 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' HOH . . . . . 0.486 ' O ' ' CD ' ' B' ' 180' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' HOH . . . . . 0.972 ' O ' ' CA ' ' B' ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' HOH . . . . . 0.409 ' O ' ' HB3' ' B' ' 114' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_