data_3qng_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 3qng _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' ' ' LYS . . . . . 0.447 ' NZ ' ' O ' ' A' ' 344' ' ' HOH . 20.4 tttm . . . . . 0 CA--C 1.512 -0.513 0 N-CA-C 112.224 0.453 . . . . 58.99 112.224 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 39.3 t -106.28 111.54 35.68 Favored 'Isoleucine or valine' 0 C--O 1.249 1.075 0 N-CA-C 106.134 -1.802 . . . . 23.93 106.134 175.303 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -76.92 151.73 35.62 Favored 'General case' 0 C--N 1.311 -1.074 0 O-C-N 128.442 3.588 . . . . 28.51 109.308 179.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.61 164.29 48.84 Favored Glycine 0 C--N 1.352 1.423 0 C-N-CA 116.141 -2.933 . . . . 27.55 110.229 159.817 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 62.2 ttp85 -57.53 -53.29 59.8 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 113.07 0.767 . . . . 42.81 113.07 179.919 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 98.1 m -71.99 -29.73 64.52 Favored 'General case' 0 N--CA 1.446 -0.652 0 O-C-N 117.403 -3.311 . . . . 31.14 113.014 178.224 -65.367 -58.035 -71.364 103.179 2.026 106.923 -53.467 -60.848 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -61.67 -42.47 98.97 Favored 'General case' 0 CA--C 1.514 -0.434 0 O-C-N 125.238 1.586 . . . . 40.56 109.399 177.181 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.7 tp -71.59 -38.28 70.89 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 114.07 -3.052 . . . . 23.26 111.939 179.429 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.51 -39.88 81.3 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 117.993 -1.483 . . . . 24.26 110.146 178.05 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.11 -44.64 83.75 Favored 'General case' 0 C--O 1.251 1.141 0 C-N-CA 117.03 -1.868 . . . . 30.96 115.953 177.538 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.33 -37.26 86.57 Favored 'General case' 0 C--O 1.249 1.066 0 O-C-N 118.739 -2.476 . . . . 26.77 112.407 176.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 23.3 mtt -63.88 -40.11 95.77 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 118.017 -1.473 . . . . 24.21 112.097 176.351 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LYS . . . . . 0.445 ' NZ ' ' OXT' ' A' ' 129' ' ' LEU . 49.2 tttt -61.55 -46.17 91.04 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 126.019 2.074 . . . . 63.95 109.293 177.596 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.4 tpt180 -59.94 -34.38 73.16 Favored 'General case' 0 CA--C 1.519 -0.249 0 C-N-CA 117.597 -1.641 . . . . 106.93 111.554 -177.693 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' HIS . . . . . 0.416 ' CE1' ' N ' ' A' ' 200' ' ' REJ . 73.0 m-70 -95.06 13.96 23.46 Favored 'General case' 0 N--CA 1.456 -0.125 0 C-N-CA 120.14 -0.624 . . . . 41.36 109.888 -173.452 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.76 25.2 46.89 Favored Glycine 0 N--CA 1.436 -1.36 0 C-N-CA 126.575 2.036 . . . . 30.04 117.542 168.095 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.2 mt -82.22 -17.59 45.56 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 121.376 2.588 . . . . 31.11 115.863 177.054 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -61.79 115.11 3.73 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 120.019 -1.676 . . . . 55.8 111.045 -177.268 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 61.92 16.29 7.93 Favored 'General case' 0 N--CA 1.434 -1.264 0 N-CA-C 116.89 2.182 . . . . 55.77 116.89 -173.8 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -62.98 129.41 40.26 Favored 'General case' 0 C--O 1.245 0.825 0 O-C-N 118.17 -2.831 . . . . 31.98 108.849 175.637 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 48.85 29.35 2.26 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 126.936 2.094 . . . . 54.99 110.088 -170.191 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.04 5.95 82.65 Favored Glycine 0 N--CA 1.437 -1.295 0 N-CA-C 116.914 1.526 . . . . 30.16 116.914 174.113 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -96.77 111.07 23.4 Favored 'General case' 0 C--O 1.26 1.631 0 C-N-CA 119.428 -0.909 . . . . 23.9 110.493 -178.51 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.4 p -59.07 159.92 6.75 Favored 'General case' 0 C--O 1.242 0.666 0 C-N-CA 119.071 -1.051 . . . . 28.21 112.266 179.729 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.6 tp -54.79 -37.57 66.23 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 115.079 1.511 . . . . 30.37 115.079 -178.344 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.87 -25.37 70.61 Favored Glycine 0 CA--C 1.537 1.454 0 CA-C-O 117.312 -1.827 . . . . 21.62 109.809 -176.725 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -64.87 -43.34 93.26 Favored 'General case' 0 C--O 1.252 1.216 0 CA-C-N 118.595 1.198 . . . . 24.21 110.64 176.835 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -65.63 -42.49 91.42 Favored 'General case' 0 C--O 1.254 1.315 0 CA-C-O 123.396 1.57 . . . . 21.84 112.51 178.692 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.8 t -67.03 -42.71 88.88 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 O-C-N 119.857 -1.777 . . . . 23.49 113.067 178.45 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 51.3 t -59.55 -44.18 93.33 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 115.697 -2.097 . . . . 23.64 109.032 174.99 -178.21 -86.482 -93.437 104.724 2.066 104.763 -75.279 -64.644 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.98 -44.75 96.08 Favored 'General case' 0 C--O 1.252 1.225 0 O-C-N 126.613 2.446 . . . . 19.93 108.404 -179.621 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.27 -38.03 87.77 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-O 124.958 2.313 . . . . 19.04 113.11 179.803 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -60.97 -44.23 97.64 Favored 'General case' 0 C--O 1.257 1.464 0 O-C-N 117.433 -3.292 . . . . 32.18 113.085 179.223 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -85.86 -23.99 26.87 Favored 'General case' 0 C--O 1.242 0.664 0 O-C-N 126.412 2.32 . . . . 27.46 110.586 -173.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -75.12 -45.5 40.66 Favored 'General case' 0 N--CA 1.482 1.15 0 O-C-N 124.235 0.959 . . . . 24.47 109.248 177.475 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 60.4 p -135.1 0.39 2.85 Favored 'General case' 0 C--O 1.255 1.372 0 N-CA-C 116.037 1.866 . . . . 19.57 116.037 -166.252 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.6 t30 56.93 30.44 18.01 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 121.606 -0.684 . . . . 30.56 112.834 -173.942 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 67.28 26.99 8.44 Favored 'General case' 0 C--N 1.307 -1.242 0 C-N-CA 128.376 2.67 . . . . 21.32 111.634 177.268 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -105.71 117.3 33.66 Favored 'General case' 0 C--O 1.244 0.791 0 C-N-CA 118.392 -1.323 . . . . 23.13 110.058 -175.298 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 62.2 p -66.05 -18.51 65.39 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-O 111.834 -3.936 . . . . 22.03 112.607 -177.238 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -93.98 3.55 55.19 Favored 'General case' 0 C--O 1.254 1.313 1 O-C-N 131.083 5.24 . . . . 22.4 110.156 -173.624 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.63 134.85 54.86 Favored 'General case' 0 C--O 1.211 -0.929 0 CA-C-O 123.421 1.582 . . . . 18.51 112.942 179.072 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 70.8 p -137.25 143.42 42.23 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 107.324 -1.362 . . . . 23.39 107.324 173.158 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 -147.69 131.44 16.96 Favored 'General case' 0 C--N 1.313 -0.995 0 O-C-N 120.052 -1.655 . . . . 32.55 109.636 176.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.76 137.84 36.26 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 126.974 2.671 . . . . 58.75 111.27 -178.042 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -94.06 163.11 13.61 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 122.882 1.325 . . . . 28.93 110.338 177.876 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 36.4 p -64.98 -27.24 68.7 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 117.629 -1.629 . . . . 53.56 111.194 -175.417 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.9 p-10 -82.75 4.48 24.98 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 118.154 -1.418 . . . . 42.9 111.167 -178.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.5 -3.48 86.38 Favored Glycine 0 C--O 1.248 1.023 0 O-C-N 125.332 1.645 . . . . 35.4 114.763 179.531 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 77.7 p -77.08 174.45 10.66 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 116.428 -2.109 . . . . 22.1 106.211 170.774 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 85.6 m -133.21 145.11 50.27 Favored 'General case' 0 C--O 1.195 -1.774 0 O-C-N 120.607 -1.308 . . . . 19.33 108.689 176.273 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -99.28 138.91 35.71 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 125.44 1.712 . . . . 30.9 111.626 173.332 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -132.25 133.45 44.13 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 123.862 0.726 . . . . 19.81 112.884 -170.341 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 81.31 -170.39 52.36 Favored Glycine 0 CA--C 1.502 -0.746 0 O-C-N 128.176 3.422 . . . . 18.03 113.97 167.967 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . 0.257 0.2 OUTLIER -56.52 -30.25 31.02 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.864 0 CA-C-N 111.261 -2.469 . . . . 47.34 112.146 -169.502 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 52.9 mt -118.06 17.18 14.12 Favored 'General case' 0 N--CA 1.446 -0.662 0 O-C-N 119.059 -2.276 . . . . 28.07 113.395 179.392 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 40.8 mm-40 46.53 56.97 5.86 Favored 'General case' 0 C--O 1.242 0.711 0 C-N-CA 125.052 1.341 . . . . 21.27 112.505 169.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 59.1 mt -78.25 131.66 34.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 O-C-N 127.157 2.785 . . . . 34.3 109.798 -178.334 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -88.57 138.41 31.45 Favored 'General case' 0 C--O 1.211 -0.942 0 CA-C-O 124.665 2.174 . . . . 59.89 112.772 -167.223 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 99.5 p -74.79 -7.45 53.44 Favored 'General case' 0 N--CA 1.452 -0.34 0 O-C-N 120.04 -1.663 . . . . 26.4 112.273 179.287 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -37.04 82.35 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 117.115 -1.834 . . . . 91.48 109.31 -177.863 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 86.7 m95 -120.47 -26.26 5.42 Favored 'General case' 0 CA--C 1.497 -1.092 0 N-CA-C 117.065 2.246 . . . . 52.87 117.065 178.727 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 85.7 m95 -114.79 -19.51 10.99 Favored 'General case' 0 C--N 1.36 1.022 0 C-N-CA 114.821 -2.752 . . . . 24.48 117.946 -159.97 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 26.5 p -143.02 161.12 38.99 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 117.252 -1.779 . . . . 22.27 108.995 179.736 59.031 86.122 93.628 104.442 2.056 102.711 -63.054 -58.289 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -97.67 123.53 41.62 Favored 'General case' 0 C--N 1.353 0.747 0 O-C-N 126.523 2.389 . . . . 28.07 112.095 179.817 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 57.5 p30 -118.55 2.13 11.75 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-O 116.221 -1.847 . . . . 20.41 111.522 173.952 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 75.22 -3.69 45.2 Favored Glycine 0 C--O 1.244 0.778 1 O-C-N 130.732 5.02 . . . . 30.23 114.364 176.401 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.0 ptt180 -134.44 22.78 3.71 Favored 'General case' 0 C--O 1.254 1.341 0 CA-C-N 122.608 3.204 . . . . 32.19 113.159 -178.608 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.8 m -116.51 88.62 24.73 Favored Pre-proline 0 C--O 1.245 0.853 0 CA-C-O 123.373 1.559 . . . . 25.54 112.053 179.129 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -56.51 138.43 84.36 Favored 'Trans proline' 0 C--N 1.316 -1.167 0 N-CA-C 113.66 0.6 . . . . 36.97 113.66 -171.803 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 71.43 11.33 71.8 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 126.841 2.162 . . . . 52.06 112.211 173.33 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 39.8 p -82.36 172.86 12.6 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 117.096 -1.431 . . . . 46.23 109.03 -175.312 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 44.2 mmm-85 -115.85 174.69 5.9 Favored 'General case' 0 C--O 1.255 1.351 0 O-C-N 126.047 2.092 . . . . 56.29 113.901 168.019 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -133.71 61.61 1.67 Allowed 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 130.871 3.669 . . . . 33.63 110.403 -179.848 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 87.0 mt -69.23 -22.98 63.82 Favored 'General case' 0 C--O 1.258 1.535 0 O-C-N 125.654 1.846 . . . . 39.11 112.728 -173.048 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 84.0 m -89.58 -0.39 57.48 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 119.207 -2.183 . . . . 26.84 110.932 176.875 -67.518 165.39 82.813 102.801 2.074 102.822 52.499 -175.307 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.3 m120 53.93 47.02 24.41 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 117.146 2.276 . . . . 77.87 117.146 -179.836 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.1 pt -142.73 151.95 58.19 Favored Pre-proline 0 C--N 1.352 0.691 0 O-C-N 119.58 -1.95 . . . . 39.33 110.697 178.2 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -66.81 139.03 50.71 Favored 'Trans proline' 0 N--CA 1.446 -1.282 0 N-CA-C 107.066 -1.936 . . . . 31.75 107.066 168.827 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 69.1 m -58.89 -27.82 65.57 Favored 'General case' 0 C--O 1.249 1.073 0 CA-C-N 119.953 1.251 . . . . 23.49 112.759 177.452 -58.289 -63.054 93.628 102.711 2.056 104.442 86.122 59.031 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 80.0 p -57.51 -27.56 62.67 Favored 'General case' 0 C--O 1.247 0.938 0 O-C-N 119.413 -2.054 . . . . 27.38 115.184 176.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.99 -27.45 63.49 Favored 'General case' 0 C--O 1.246 0.9 0 CA-C-N 115.749 -0.659 . . . . 30.0 110.741 176.221 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 85.8 mt -82.85 2.21 35.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.403 -0.817 . . . . 32.57 111.365 -174.573 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 48.6 mt -105.49 -3.52 22.38 Favored 'General case' 0 C--O 1.245 0.817 0 O-C-N 119.279 -2.138 . . . . 29.47 114.039 178.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 36.8 t -56.4 146.61 23.8 Favored 'General case' 0 C--N 1.315 -0.931 0 C-N-CA 126.439 1.895 . . . . 29.15 114.146 179.761 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.6 m -62.54 -26.72 68.71 Favored 'General case' 0 C--O 1.237 0.431 0 O-C-N 121.025 -1.047 . . . . 51.32 110.943 171.057 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -83.73 115.35 22.16 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 124.644 1.177 . . . . 60.37 110.32 171.346 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 24.7 pt -87.78 5.18 4.03 Favored 'Isoleucine or valine' 0 C--O 1.256 1.405 0 N-CA-C 114.051 1.13 . . . . 29.82 114.051 -172.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 93.0 m -50.66 -47.19 58.71 Favored 'General case' 0 C--O 1.249 1.03 0 O-C-N 118.469 -2.644 . . . . 42.12 114.999 179.3 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.17 -36.37 82.92 Favored 'General case' 0 CA--C 1.514 -0.408 1 O-C-N 115.264 -4.647 . . . . 25.12 112.194 -178.982 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.0 m -70.63 -37.15 73.77 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 115.302 -2.559 . . . . 22.56 107.797 -177.227 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 48.3 t -65.66 -47.7 85.19 Favored 'Isoleucine or valine' 0 C--N 1.364 1.226 0 C-N-CA 115.936 -2.305 . . . . 25.36 110.127 -177.171 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -58.67 -38.11 77.47 Favored 'General case' 0 C--N 1.347 0.485 0 O-C-N 120.246 -1.534 . . . . 54.78 111.891 -179.11 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 43.9 t -72.73 -40.68 65.89 Favored 'General case' 0 C--N 1.357 0.91 0 N-CA-C 108.773 -0.825 . . . . 24.98 108.773 -178.111 -175.307 52.499 82.813 102.822 2.074 102.801 165.39 -67.518 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -54.51 -37.85 65.82 Favored 'General case' 0 C--O 1.243 0.741 0 N-CA-C 115.671 1.73 . . . . 20.93 115.671 173.247 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' LYS . . . . . 0.444 ' NZ ' ' O ' ' A' ' 389' ' ' HOH . 93.7 mttt -61.91 -40.63 96.15 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 117.471 -1.692 . . . . 33.67 111.896 177.33 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 40.6 mttp -62.5 -43.87 97.77 Favored 'General case' 0 C--N 1.347 0.459 0 O-C-N 120.981 -1.074 . . . . 60.15 111.526 173.036 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 81.3 mt -63.9 -46.58 93.76 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 CA-C-O 123.085 1.421 . . . . 23.03 110.402 -174.549 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 7.7 p -74.57 -10.96 14.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 116.239 -2.184 . . . . 27.74 109.94 -174.083 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.5 m -88.95 -5.61 57.85 Favored 'General case' 0 C--N 1.346 0.422 0 O-C-N 124.157 0.911 . . . . 33.94 112.596 173.916 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -78.75 -8.27 58.58 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 127.558 2.343 . . . . 81.95 111.573 -168.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 131.3 -18.5 4.96 Favored Glycine 0 C--N 1.335 0.514 0 C-N-CA 120.688 -0.768 . . . . 43.0 113.366 164.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -111.03 10.4 22.09 Favored 'General case' 0 C--O 1.225 -0.208 0 O-C-N 120.271 -1.723 . . . . 67.7 110.809 -176.503 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 62.12 -142.18 47.85 Favored Glycine 0 CA--C 1.54 1.606 0 N-CA-C 107.51 -2.236 . . . . 21.44 107.51 176.369 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 66.1 mtp -82.88 -0.56 48.86 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 116.303 -1.808 . . . . 20.76 110.83 -175.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -61.22 -16.88 49.78 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 121.18 1.809 . . . . 24.94 112.27 172.57 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -53.48 -29.78 37.69 Favored 'General case' 0 C--O 1.254 1.293 0 CA-C-O 116.89 -1.528 . . . . 27.26 113.159 171.543 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 31.1 m-90 -93.17 102.89 15.2 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 106.002 -1.851 . . . . 29.0 106.002 177.435 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 37.3 t -63.63 -29.53 47.52 Favored 'Isoleucine or valine' 0 C--O 1.247 0.957 0 C-N-CA 114.667 -2.813 . . . . 43.42 110.688 -176.182 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.83 -32.91 73.78 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-N 120.57 1.532 . . . . 25.56 109.631 178.582 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 83.1 t90 -66.5 -50.01 64.66 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 118.766 -1.174 . . . . 22.89 108.192 175.954 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 54.3 ttp85 -57.77 -41.28 81.69 Favored 'General case' 0 C--O 1.238 0.492 0 O-C-N 120.959 -1.088 . . . . 53.95 111.072 179.823 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -88.23 -19.2 27.16 Favored 'General case' 0 C--O 1.25 1.116 0 C-N-CA 116.989 -1.884 . . . . 30.31 113.647 -171.273 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -125.87 -9.78 6.64 Favored 'General case' 0 C--O 1.224 -0.249 0 O-C-N 119.412 -2.055 . . . . 28.68 115.52 -176.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 87.7 m -120.51 -41.77 2.58 Favored 'General case' 0 C--O 1.254 1.293 0 CA-C-O 118.506 -0.759 . . . . 25.18 109.393 -172.02 -64.644 -75.279 -93.437 104.763 2.066 104.724 -86.482 -178.21 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 69.6 tttt -54.58 127.36 27.57 Favored 'General case' 0 C--N 1.343 0.321 0 O-C-N 128.382 3.551 . . . . 25.65 110.205 -175.008 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 79.53 3.73 88.95 Favored Glycine 0 C--N 1.318 -0.461 0 O-C-N 128.011 3.319 . . . . 44.15 114.028 174.295 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.9 p -98.19 177.43 5.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 121.186 -1.185 . . . . 28.69 109.327 179.238 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -81.09 69.81 7.78 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-O 123.291 1.519 . . . . 49.51 109.519 179.607 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 30.7 m -59.1 -27.9 37.41 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.577 0 CA-C-N 113.233 -1.803 . . . . 30.3 113.583 -178.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.11 -21.76 34.63 Favored 'General case' 0 C--N 1.367 1.353 0 O-C-N 120.415 -1.428 . . . . 61.52 114.238 177.339 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -58.27 -29.08 65.53 Favored 'General case' 0 C--O 1.214 -0.783 0 CA-C-N 119.515 1.052 . . . . 29.6 111.334 175.882 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -67.7 -12.54 60.73 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 120.506 -1.371 . . . . 30.97 114.52 -178.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 6.0 pt -121.49 3.94 6.25 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 CA-C-O 116.2 -1.857 . . . . 36.96 109.032 178.4 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' ARG . . . . . 0.448 ' NH1' ' O ' ' A' ' 372' ' ' HOH . 2.1 ptt180 -47.53 130.53 13.92 Favored 'General case' 0 N--CA 1.484 1.244 0 O-C-N 128.32 3.512 . . . . 93.41 112.606 177.275 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 80.92 -8.81 55.82 Favored Glycine 0 C--N 1.34 0.777 0 O-C-N 117.192 -3.443 . . . . 37.96 116.125 173.684 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 77.7 m -74.81 125.97 29.94 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 118.551 1.176 . . . . 33.4 111.895 -178.109 -60.848 -53.467 -71.364 106.923 2.026 103.179 -58.035 -65.367 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 8.6 tpt85 -70.81 100.78 1.98 Allowed 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 113.985 -1.461 . . . . 76.3 107.242 171.624 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' LEU . . . . . 0.445 ' OXT' ' NZ ' ' A' ' 13' ' ' LYS . 10.3 mt . . . . . 0 C--O 1.269 2.106 1 CA-C-O 109.53 -5.033 . . . . 100.25 111.677 -171.046 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 200' ' ' REJ . . . . . 0.416 ' N ' ' CE1' ' A' ' 15' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 230' ' ' EDO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 300' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 332' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 334' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 336' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 339' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 340' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 341' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 342' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 343' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 344' ' ' HOH . . . . . 0.447 ' O ' ' NZ ' ' A' ' 1' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 345' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 346' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 347' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 348' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 349' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 350' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 351' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 352' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 353' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 354' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 355' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 356' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 357' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 358' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 359' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 361' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 362' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 363' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 364' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 365' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 366' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 367' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 368' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 369' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 370' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 371' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 372' ' ' HOH . . . . . 0.448 ' O ' ' NH1' ' A' ' 125' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 373' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 374' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 375' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 376' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 377' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 378' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 379' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 380' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 381' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 382' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 383' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 384' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 385' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 386' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 387' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 388' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 389' ' ' HOH . . . . . 0.444 ' O ' ' NZ ' ' A' ' 96' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 390' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 391' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 392' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 393' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 394' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 395' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 396' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 397' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 398' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 399' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 400' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 401' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 402' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' LYS . . . . . 0.447 ' NZ ' ' O ' ' A' ' 344' ' ' HOH . 20.4 tttm . . . . . 0 CA--C 1.512 -0.513 0 N-CA-C 112.224 0.453 . . . . 58.990000000000002 112.224 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 39.3 t -106.28 111.54 35.68 Favored 'Isoleucine or valine' 0 C--O 1.249 1.075 0 N-CA-C 106.134 -1.802 . . . . 23.93 106.134 175.303 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -76.92 151.73 35.62 Favored 'General case' 0 C--N 1.311 -1.074 0 O-C-N 128.442 3.588 . . . . 28.510000000000002 109.308 179.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.61 164.29 48.84 Favored Glycine 0 C--N 1.352 1.423 0 C-N-CA 116.141 -2.933 . . . . 27.550000000000001 110.229 159.817 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 62.2 ttp85 -57.53 -53.29 59.8 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 113.07 0.767 . . . . 42.810000000000002 113.07 179.919 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 98.1 m -71.99 -29.73 64.52 Favored 'General case' 0 N--CA 1.446 -0.652 0 O-C-N 117.403 -3.311 . . . . 31.140000000000001 113.014 178.224 -65.367 -58.035 -71.364 103.179 2.026 106.923 -53.467 -60.848 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -61.67 -42.47 98.97 Favored 'General case' 0 CA--C 1.514 -0.434 0 O-C-N 125.238 1.586 . . . . 40.560000000000002 109.399 177.181 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.7 tp -71.59 -38.28 70.89 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 114.07 -3.052 . . . . 23.260000000000002 111.939 179.429 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.51 -39.88 81.3 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 117.993 -1.483 . . . . 24.260000000000002 110.146 178.05 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.11 -44.64 83.75 Favored 'General case' 0 C--O 1.251 1.141 0 C-N-CA 117.03 -1.868 . . . . 30.960000000000001 115.953 177.538 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.33 -37.26 86.57 Favored 'General case' 0 C--O 1.249 1.066 0 O-C-N 118.739 -2.476 . . . . 26.77 112.407 176.664 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 23.3 mtt -63.88 -40.11 95.77 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 118.017 -1.473 . . . . 24.210000000000001 112.097 176.351 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LYS . . . . . 0.534 ' HD2' HD22 ' A' ' 129' ' ' LEU . 49.2 tttt -61.55 -46.17 91.04 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 126.019 2.074 . . . . 63.950000000000003 109.293 177.596 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ARG . . . . . 0.537 ' HD3' ' O ' ' A' ' 391' ' ' HOH . 22.4 tpt180 -59.94 -34.38 73.16 Favored 'General case' 0 CA--C 1.519 -0.249 0 C-N-CA 117.597 -1.641 . . . . 106.93000000000001 111.554 -177.693 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' HIS . . . . . 0.416 ' CE1' ' N ' ' A' ' 200' ' ' REJ . 73.0 m-70 -95.06 13.96 23.46 Favored 'General case' 0 N--CA 1.456 -0.125 0 C-N-CA 120.14 -0.624 . . . . 41.359999999999999 109.888 -173.452 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.76 25.2 46.89 Favored Glycine 0 N--CA 1.436 -1.36 0 C-N-CA 126.575 2.036 . . . . 30.039999999999999 117.542 168.095 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.2 mt -82.22 -17.59 45.56 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 121.376 2.588 . . . . 31.109999999999999 115.863 177.054 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASP . . . . . 0.49 ' HB3' ' O ' ' A' ' 332' ' ' HOH . 23.2 t0 -61.79 115.11 3.73 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 120.019 -1.676 . . . . 55.799999999999997 111.045 -177.268 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 61.92 16.29 7.93 Favored 'General case' 0 N--CA 1.434 -1.264 0 N-CA-C 116.89 2.182 . . . . 55.770000000000003 116.89 -173.8 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -62.98 129.41 40.26 Favored 'General case' 0 C--O 1.245 0.825 0 O-C-N 118.17 -2.831 . . . . 31.98 108.849 175.637 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 48.85 29.35 2.26 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 126.936 2.094 . . . . 54.990000000000002 110.088 -170.191 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.04 5.95 82.65 Favored Glycine 0 N--CA 1.437 -1.295 0 N-CA-C 116.914 1.526 . . . . 30.16 116.914 174.113 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -96.77 111.07 23.4 Favored 'General case' 0 C--O 1.26 1.631 0 C-N-CA 119.428 -0.909 . . . . 23.899999999999999 110.493 -178.51 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.4 p -59.07 159.92 6.75 Favored 'General case' 0 C--O 1.242 0.666 0 C-N-CA 119.071 -1.051 . . . . 28.210000000000001 112.266 179.729 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.6 tp -54.79 -37.57 66.23 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 115.079 1.511 . . . . 30.370000000000001 115.079 -178.344 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.87 -25.37 70.61 Favored Glycine 0 CA--C 1.537 1.454 0 CA-C-O 117.312 -1.827 . . . . 21.620000000000001 109.809 -176.725 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -64.87 -43.34 93.26 Favored 'General case' 0 C--O 1.252 1.216 0 CA-C-N 118.595 1.198 . . . . 24.210000000000001 110.64 176.835 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -65.63 -42.49 91.42 Favored 'General case' 0 C--O 1.254 1.315 0 CA-C-O 123.396 1.57 . . . . 21.84 112.51 178.692 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.8 t -67.03 -42.71 88.88 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 O-C-N 119.857 -1.777 . . . . 23.489999999999998 113.067 178.45 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 51.3 t -59.55 -44.18 93.33 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 115.697 -2.097 . . . . 23.640000000000001 109.032 174.99 -178.21 -86.482 -93.437 104.724 2.066 104.763 -75.279 -64.644 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.98 -44.75 96.08 Favored 'General case' 0 C--O 1.252 1.225 0 O-C-N 126.613 2.446 . . . . 19.93 108.404 -179.621 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.27 -38.03 87.77 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-O 124.958 2.313 . . . . 19.039999999999999 113.11 179.803 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -60.97 -44.23 97.64 Favored 'General case' 0 C--O 1.257 1.464 0 O-C-N 117.433 -3.292 . . . . 32.18 113.085 179.223 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -85.86 -23.99 26.87 Favored 'General case' 0 C--O 1.242 0.664 0 O-C-N 126.412 2.32 . . . . 27.460000000000001 110.586 -173.985 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -75.12 -45.5 40.66 Favored 'General case' 0 N--CA 1.482 1.15 0 O-C-N 124.235 0.959 . . . . 24.469999999999999 109.248 177.475 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 60.4 p -135.1 0.39 2.85 Favored 'General case' 0 C--O 1.255 1.372 0 N-CA-C 116.037 1.866 . . . . 19.57 116.037 -166.252 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.6 t30 56.93 30.44 18.01 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 121.606 -0.684 . . . . 30.559999999999999 112.834 -173.942 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 67.28 26.99 8.44 Favored 'General case' 0 C--N 1.307 -1.242 0 C-N-CA 128.376 2.67 . . . . 21.32 111.634 177.268 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -105.71 117.3 33.66 Favored 'General case' 0 C--O 1.244 0.791 0 C-N-CA 118.392 -1.323 . . . . 23.129999999999999 110.058 -175.298 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' THR . . . . . 0.456 HG22 HD13 ' A' ' 55' ' ' ILE . 62.2 p -66.05 -18.51 65.39 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-O 111.834 -3.936 . . . . 22.030000000000001 112.607 -177.238 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -93.98 3.55 55.19 Favored 'General case' 0 C--O 1.254 1.313 1 O-C-N 131.083 5.24 . . . . 22.399999999999999 110.156 -173.624 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.63 134.85 54.86 Favored 'General case' 0 C--O 1.211 -0.929 0 CA-C-O 123.421 1.582 . . . . 18.510000000000002 112.942 179.072 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 70.8 p -137.25 143.42 42.23 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 107.324 -1.362 . . . . 23.390000000000001 107.324 173.158 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 -147.69 131.44 16.96 Favored 'General case' 0 C--N 1.313 -0.995 0 O-C-N 120.052 -1.655 . . . . 32.549999999999997 109.636 176.391 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.76 137.84 36.26 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 126.974 2.671 . . . . 58.75 111.27 -178.042 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -94.06 163.11 13.61 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 122.882 1.325 . . . . 28.93 110.338 177.876 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 36.4 p -64.98 -27.24 68.7 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 117.629 -1.629 . . . . 53.560000000000002 111.194 -175.417 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ASP . . . . . 0.511 ' OD2' ' H22' ' A' ' 230' ' ' EDO . 32.9 p-10 -82.75 4.48 24.98 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 118.154 -1.418 . . . . 42.899999999999999 111.167 -178.998 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.5 -3.48 86.38 Favored Glycine 0 C--O 1.248 1.023 0 O-C-N 125.332 1.645 . . . . 35.399999999999999 114.763 179.531 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 77.7 p -77.08 174.45 10.66 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 116.428 -2.109 . . . . 22.100000000000001 106.211 170.774 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 85.6 m -133.21 145.11 50.27 Favored 'General case' 0 C--O 1.195 -1.774 0 O-C-N 120.607 -1.308 . . . . 19.329999999999998 108.689 176.273 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -99.28 138.91 35.71 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 125.44 1.712 . . . . 30.899999999999999 111.626 173.332 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -132.25 133.45 44.13 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 123.862 0.726 . . . . 19.809999999999999 112.884 -170.341 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 81.31 -170.39 52.36 Favored Glycine 0 CA--C 1.502 -0.746 0 O-C-N 128.176 3.422 . . . . 18.030000000000001 113.97 167.967 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ILE . . . . . 0.456 HD13 HG22 ' A' ' 40' ' ' THR 0.257 0.2 OUTLIER -56.52 -30.25 31.02 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.864 0 CA-C-N 111.261 -2.469 . . . . 47.340000000000003 112.146 -169.502 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 52.9 mt -118.06 17.18 14.12 Favored 'General case' 0 N--CA 1.446 -0.662 0 O-C-N 119.059 -2.276 . . . . 28.07 113.395 179.392 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 40.8 mm-40 46.53 56.97 5.86 Favored 'General case' 0 C--O 1.242 0.711 0 C-N-CA 125.052 1.341 . . . . 21.27 112.505 169.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 59.1 mt -78.25 131.66 34.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 O-C-N 127.157 2.785 . . . . 34.299999999999997 109.798 -178.334 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ASN . . . . . 0.693 ' ND2' ' HB3' ' A' ' 61' ' ' ARG . 57.4 t30 -88.57 138.41 31.45 Favored 'General case' 0 C--O 1.211 -0.942 0 CA-C-O 124.665 2.174 . . . . 59.890000000000001 112.772 -167.223 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 99.5 p -74.79 -7.45 53.44 Favored 'General case' 0 N--CA 1.452 -0.34 0 O-C-N 120.04 -1.663 . . . . 26.399999999999999 112.273 179.287 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ARG . . . . . 0.693 ' HB3' ' ND2' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -67.46 -37.04 82.35 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 117.115 -1.834 . . . . 91.480000000000004 109.31 -177.863 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 86.7 m95 -120.47 -26.26 5.42 Favored 'General case' 0 CA--C 1.497 -1.092 0 N-CA-C 117.065 2.246 . . . . 52.869999999999997 117.065 178.727 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' TRP . . . . . 0.587 ' CE2' HG12 ' A' ' 98' ' ' ILE . 85.7 m95 -114.79 -19.51 10.99 Favored 'General case' 0 C--N 1.36 1.022 0 C-N-CA 114.821 -2.752 . . . . 24.48 117.946 -159.97 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 26.5 p -143.02 161.12 38.99 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 117.252 -1.779 . . . . 22.27 108.995 179.736 59.031 86.122 93.628 104.442 2.056 102.711 -63.054 -58.289 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -97.67 123.53 41.62 Favored 'General case' 0 C--N 1.353 0.747 0 O-C-N 126.523 2.389 . . . . 28.07 112.095 179.817 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 57.5 p30 -118.55 2.13 11.75 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-O 116.221 -1.847 . . . . 20.41 111.522 173.952 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 75.22 -3.69 45.2 Favored Glycine 0 C--O 1.244 0.778 1 O-C-N 130.732 5.02 . . . . 30.23 114.364 176.401 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.0 ptt180 -134.44 22.78 3.71 Favored 'General case' 0 C--O 1.254 1.341 0 CA-C-N 122.608 3.204 . . . . 32.189999999999998 113.159 -178.608 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.8 m -116.51 88.62 24.73 Favored Pre-proline 0 C--O 1.245 0.853 0 CA-C-O 123.373 1.559 . . . . 25.539999999999999 112.053 179.129 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -56.51 138.43 84.36 Favored 'Trans proline' 0 C--N 1.316 -1.167 0 N-CA-C 113.66 0.6 . . . . 36.969999999999999 113.66 -171.803 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 71.43 11.33 71.8 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 126.841 2.162 . . . . 52.060000000000002 112.211 173.33 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 39.8 p -82.36 172.86 12.6 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 117.096 -1.431 . . . . 46.229999999999997 109.03 -175.312 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 44.2 mmm-85 -115.85 174.69 5.9 Favored 'General case' 0 C--O 1.255 1.351 0 O-C-N 126.047 2.092 . . . . 56.289999999999999 113.901 168.019 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -133.71 61.61 1.67 Allowed 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 130.871 3.669 . . . . 33.630000000000003 110.403 -179.848 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 87.0 mt -69.23 -22.98 63.82 Favored 'General case' 0 C--O 1.258 1.535 0 O-C-N 125.654 1.846 . . . . 39.109999999999999 112.728 -173.048 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 84.0 m -89.58 -0.39 57.48 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 119.207 -2.183 . . . . 26.84 110.932 176.875 -67.518 165.39 82.813 102.801 2.074 102.822 52.499 -175.307 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.3 m120 53.93 47.02 24.41 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 117.146 2.276 . . . . 77.870000000000005 117.146 -179.836 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.1 pt -142.73 151.95 58.19 Favored Pre-proline 0 C--N 1.352 0.691 0 O-C-N 119.58 -1.95 . . . . 39.329999999999998 110.697 178.2 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -66.81 139.03 50.71 Favored 'Trans proline' 0 N--CA 1.446 -1.282 0 N-CA-C 107.066 -1.936 . . . . 31.75 107.066 168.827 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 69.1 m -58.89 -27.82 65.57 Favored 'General case' 0 C--O 1.249 1.073 0 CA-C-N 119.953 1.251 . . . . 23.489999999999998 112.759 177.452 -58.289 -63.054 93.628 102.711 2.056 104.442 86.122 59.031 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 80.0 p -57.51 -27.56 62.67 Favored 'General case' 0 C--O 1.247 0.938 0 O-C-N 119.413 -2.054 . . . . 27.379999999999999 115.184 176.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.99 -27.45 63.49 Favored 'General case' 0 C--O 1.246 0.9 0 CA-C-N 115.749 -0.659 . . . . 30.0 110.741 176.221 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 85.8 mt -82.85 2.21 35.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.403 -0.817 . . . . 32.57 111.365 -174.573 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 48.6 mt -105.49 -3.52 22.38 Favored 'General case' 0 C--O 1.245 0.817 0 O-C-N 119.279 -2.138 . . . . 29.469999999999999 114.039 178.004 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 36.8 t -56.4 146.61 23.8 Favored 'General case' 0 C--N 1.315 -0.931 0 C-N-CA 126.439 1.895 . . . . 29.149999999999999 114.146 179.761 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.6 m -62.54 -26.72 68.71 Favored 'General case' 0 C--O 1.237 0.431 0 O-C-N 121.025 -1.047 . . . . 51.32 110.943 171.057 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -83.73 115.35 22.16 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 124.644 1.177 . . . . 60.369999999999997 110.32 171.346 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 24.7 pt -87.78 5.18 4.03 Favored 'Isoleucine or valine' 0 C--O 1.256 1.405 0 N-CA-C 114.051 1.13 . . . . 29.82 114.051 -172.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 93.0 m -50.66 -47.19 58.71 Favored 'General case' 0 C--O 1.249 1.03 0 O-C-N 118.469 -2.644 . . . . 42.119999999999997 114.999 179.3 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.17 -36.37 82.92 Favored 'General case' 0 CA--C 1.514 -0.408 1 O-C-N 115.264 -4.647 . . . . 25.120000000000001 112.194 -178.982 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.0 m -70.63 -37.15 73.77 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 115.302 -2.559 . . . . 22.559999999999999 107.797 -177.227 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 48.3 t -65.66 -47.7 85.19 Favored 'Isoleucine or valine' 0 C--N 1.364 1.226 0 C-N-CA 115.936 -2.305 . . . . 25.359999999999999 110.127 -177.171 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -58.67 -38.11 77.47 Favored 'General case' 0 C--N 1.347 0.485 0 O-C-N 120.246 -1.534 . . . . 54.780000000000001 111.891 -179.11 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 43.9 t -72.73 -40.68 65.89 Favored 'General case' 0 C--N 1.357 0.91 0 N-CA-C 108.773 -0.825 . . . . 24.98 108.773 -178.111 -175.307 52.499 82.813 102.822 2.074 102.801 165.39 -67.518 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -54.51 -37.85 65.82 Favored 'General case' 0 C--O 1.243 0.741 0 N-CA-C 115.671 1.73 . . . . 20.93 115.671 173.247 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -61.91 -40.63 96.15 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 117.471 -1.692 . . . . 33.670000000000002 111.896 177.33 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 40.6 mttp -62.5 -43.87 97.77 Favored 'General case' 0 C--N 1.347 0.459 0 O-C-N 120.981 -1.074 . . . . 60.149999999999999 111.526 173.036 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' ILE . . . . . 0.587 HG12 ' CE2' ' A' ' 63' ' ' TRP . 81.3 mt -63.9 -46.58 93.76 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 CA-C-O 123.085 1.421 . . . . 23.030000000000001 110.402 -174.549 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 7.7 p -74.57 -10.96 14.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 116.239 -2.184 . . . . 27.739999999999998 109.94 -174.083 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.5 m -88.95 -5.61 57.85 Favored 'General case' 0 C--N 1.346 0.422 0 O-C-N 124.157 0.911 . . . . 33.939999999999998 112.596 173.916 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ASP . . . . . 0.581 ' HB3' ' O ' ' A' ' 394' ' ' HOH . 25.3 t70 -78.75 -8.27 58.58 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 127.558 2.343 . . . . 81.950000000000003 111.573 -168.923 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 131.3 -18.5 4.96 Favored Glycine 0 C--N 1.335 0.514 0 C-N-CA 120.688 -0.768 . . . . 43.0 113.366 164.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -111.03 10.4 22.09 Favored 'General case' 0 C--O 1.225 -0.208 0 O-C-N 120.271 -1.723 . . . . 67.700000000000003 110.809 -176.503 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 62.12 -142.18 47.85 Favored Glycine 0 CA--C 1.54 1.606 0 N-CA-C 107.51 -2.236 . . . . 21.440000000000001 107.51 176.369 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 66.1 mtp -82.88 -0.56 48.86 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 116.303 -1.808 . . . . 20.760000000000002 110.83 -175.741 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -61.22 -16.88 49.78 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 121.18 1.809 . . . . 24.940000000000001 112.27 172.57 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -53.48 -29.78 37.69 Favored 'General case' 0 C--O 1.254 1.293 0 CA-C-O 116.89 -1.528 . . . . 27.260000000000002 113.159 171.543 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 31.1 m-90 -93.17 102.89 15.2 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 106.002 -1.851 . . . . 29.0 106.002 177.435 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 37.3 t -63.63 -29.53 47.52 Favored 'Isoleucine or valine' 0 C--O 1.247 0.957 0 C-N-CA 114.667 -2.813 . . . . 43.420000000000002 110.688 -176.182 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.83 -32.91 73.78 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-N 120.57 1.532 . . . . 25.559999999999999 109.631 178.582 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 83.1 t90 -66.5 -50.01 64.66 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 118.766 -1.174 . . . . 22.890000000000001 108.192 175.954 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 54.3 ttp85 -57.77 -41.28 81.69 Favored 'General case' 0 C--O 1.238 0.492 0 O-C-N 120.959 -1.088 . . . . 53.950000000000003 111.072 179.823 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -88.23 -19.2 27.16 Favored 'General case' 0 C--O 1.25 1.116 0 C-N-CA 116.989 -1.884 . . . . 30.309999999999999 113.647 -171.273 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -125.87 -9.78 6.64 Favored 'General case' 0 C--O 1.224 -0.249 0 O-C-N 119.412 -2.055 . . . . 28.68 115.52 -176.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 87.7 m -120.51 -41.77 2.58 Favored 'General case' 0 C--O 1.254 1.293 0 CA-C-O 118.506 -0.759 . . . . 25.18 109.393 -172.02 -64.644 -75.279 -93.437 104.763 2.066 104.724 -86.482 -178.21 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 69.6 tttt -54.58 127.36 27.57 Favored 'General case' 0 C--N 1.343 0.321 0 O-C-N 128.382 3.551 . . . . 25.649999999999999 110.205 -175.008 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 79.53 3.73 88.95 Favored Glycine 0 C--N 1.318 -0.461 0 O-C-N 128.011 3.319 . . . . 44.149999999999999 114.028 174.295 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.9 p -98.19 177.43 5.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 121.186 -1.185 . . . . 28.690000000000001 109.327 179.238 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -81.09 69.81 7.78 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-O 123.291 1.519 . . . . 49.509999999999998 109.519 179.607 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 30.7 m -59.1 -27.9 37.41 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.577 0 CA-C-N 113.233 -1.803 . . . . 30.300000000000001 113.583 -178.19 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.11 -21.76 34.63 Favored 'General case' 0 C--N 1.367 1.353 0 O-C-N 120.415 -1.428 . . . . 61.520000000000003 114.238 177.339 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 122' ' ' ALA . . . . . 0.709 ' O ' ' HD3' ' A' ' 125' ' ' ARG . . . -58.27 -29.08 65.53 Favored 'General case' 0 C--O 1.214 -0.783 0 CA-C-N 119.515 1.052 . . . . 29.600000000000001 111.334 175.882 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -67.7 -12.54 60.73 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 120.506 -1.371 . . . . 30.969999999999999 114.52 -178.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 6.0 pt -121.49 3.94 6.25 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 CA-C-O 116.2 -1.857 . . . . 36.960000000000001 109.032 178.4 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' ARG . . . . . 0.709 ' HD3' ' O ' ' A' ' 122' ' ' ALA . 2.1 ptt180 -47.53 130.53 13.92 Favored 'General case' 0 N--CA 1.484 1.244 0 O-C-N 128.32 3.512 . . . . 93.409999999999997 112.606 177.275 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 80.92 -8.81 55.82 Favored Glycine 0 C--N 1.34 0.777 0 O-C-N 117.192 -3.443 . . . . 37.960000000000001 116.125 173.684 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 77.7 m -74.81 125.97 29.94 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 118.551 1.176 . . . . 33.399999999999999 111.895 -178.109 -60.848 -53.467 -71.364 106.923 2.026 103.179 -58.035 -65.367 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 8.6 tpt85 -70.81 100.78 1.98 Allowed 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 113.985 -1.461 . . . . 76.299999999999997 107.242 171.624 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' LEU . . . . . 0.534 HD22 ' HD2' ' A' ' 13' ' ' LYS . 10.3 mt . . . . . 0 C--O 1.269 2.106 1 CA-C-O 109.53 -5.033 . . . . 100.25 111.677 -171.046 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 200' ' ' REJ . . . . . 0.416 ' N ' ' CE1' ' A' ' 15' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 210' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 220' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 230' ' ' EDO . . . . . 0.618 ' H12' ' NH1' ' A' ' 61' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 300' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 332' ' ' HOH . . . . . 0.49 ' O ' ' HB3' ' A' ' 18' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 334' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 336' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 339' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 340' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 341' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 342' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 343' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 344' ' ' HOH . . . . . 0.447 ' O ' ' NZ ' ' A' ' 1' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 345' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 346' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 347' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 348' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 349' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 350' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 351' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 352' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 353' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 354' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 355' ' ' HOH . . . . . 0.447 ' O ' ' HE3' ' A' ' 13' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 356' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 357' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 358' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 359' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 361' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 362' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 363' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 364' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 365' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 366' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 367' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 368' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 369' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 370' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 371' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 372' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 373' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 374' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 375' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 376' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 377' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 378' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 379' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 380' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 381' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 382' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 383' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 384' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 385' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 386' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 387' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 388' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 389' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 390' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 391' ' ' HOH . . . . . 0.537 ' O ' ' HD3' ' A' ' 14' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 392' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 393' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 394' ' ' HOH . . . . . 0.581 ' O ' ' HB3' ' A' ' 101' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 395' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 396' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 397' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 398' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 399' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 400' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 401' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 402' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.447 ' NZ ' ' O ' ' A' ' 344' ' ' HOH . 20.4 tttm . . . . . 0 CA--C 1.512 -0.513 0 N-CA-C 112.224 0.453 . . . . 58.99 112.224 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 39.3 t -106.28 111.54 35.68 Favored 'Isoleucine or valine' 0 C--O 1.249 1.075 0 N-CA-C 106.134 -1.802 . . . . 23.93 106.134 175.303 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -76.92 151.73 35.62 Favored 'General case' 0 C--N 1.311 -1.074 0 O-C-N 128.442 3.588 . . . . 28.51 109.308 179.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.61 164.29 48.84 Favored Glycine 0 C--N 1.352 1.423 0 C-N-CA 116.141 -2.933 . . . . 27.55 110.229 159.817 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 62.2 ttp85 -57.53 -53.29 59.8 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 113.07 0.767 . . . . 42.81 113.07 179.919 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 98.1 m -71.99 -29.73 64.52 Favored 'General case' 0 N--CA 1.446 -0.652 0 O-C-N 117.403 -3.311 . . . . 31.14 113.014 178.224 -65.367 -58.035 -71.364 103.179 2.026 106.923 -53.467 -60.848 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -61.67 -42.47 98.97 Favored 'General case' 0 CA--C 1.514 -0.434 0 O-C-N 125.238 1.586 . . . . 40.56 109.399 177.181 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.7 tp -71.59 -38.28 70.89 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 114.07 -3.052 . . . . 23.26 111.939 179.429 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.51 -39.88 81.3 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 117.993 -1.483 . . . . 24.26 110.146 178.05 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.11 -44.64 83.75 Favored 'General case' 0 C--O 1.251 1.141 0 C-N-CA 117.03 -1.868 . . . . 30.96 115.953 177.538 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.33 -37.26 86.57 Favored 'General case' 0 C--O 1.249 1.066 0 O-C-N 118.739 -2.476 . . . . 26.77 112.407 176.664 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 23.3 mtt -63.88 -40.11 95.77 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 118.017 -1.473 . . . . 24.21 112.097 176.351 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.534 ' HD2' HD22 ' A' ' 129' ' ' LEU . 49.2 tttt -61.55 -46.17 91.04 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 126.019 2.074 . . . . 63.95 109.293 177.596 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.537 ' HD3' ' O ' ' A' ' 391' ' ' HOH . 22.4 tpt180 -59.94 -34.38 73.16 Favored 'General case' 0 CA--C 1.519 -0.249 0 C-N-CA 117.597 -1.641 . . . . 106.93 111.554 -177.693 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.416 ' CE1' ' N ' ' A' ' 200' ' ' REJ . 73.0 m-70 -95.06 13.96 23.46 Favored 'General case' 0 N--CA 1.456 -0.125 0 C-N-CA 120.14 -0.624 . . . . 41.36 109.888 -173.452 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.76 25.2 46.89 Favored Glycine 0 N--CA 1.436 -1.36 0 C-N-CA 126.575 2.036 . . . . 30.04 117.542 168.095 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.2 mt -82.22 -17.59 45.56 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 121.376 2.588 . . . . 31.11 115.863 177.054 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.49 ' HB3' ' O ' ' A' ' 332' ' ' HOH . 23.2 t0 -61.79 115.11 3.73 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 120.019 -1.676 . . . . 55.8 111.045 -177.268 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 61.92 16.29 7.93 Favored 'General case' 0 N--CA 1.434 -1.264 0 N-CA-C 116.89 2.182 . . . . 55.77 116.89 -173.8 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -62.98 129.41 40.26 Favored 'General case' 0 C--O 1.245 0.825 0 O-C-N 118.17 -2.831 . . . . 31.98 108.849 175.637 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 48.85 29.35 2.26 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 126.936 2.094 . . . . 54.99 110.088 -170.191 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.04 5.95 82.65 Favored Glycine 0 N--CA 1.437 -1.295 0 N-CA-C 116.914 1.526 . . . . 30.16 116.914 174.113 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -96.77 111.07 23.4 Favored 'General case' 0 C--O 1.26 1.631 0 C-N-CA 119.428 -0.909 . . . . 23.9 110.493 -178.51 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.4 p -59.07 159.92 6.75 Favored 'General case' 0 C--O 1.242 0.666 0 C-N-CA 119.071 -1.051 . . . . 28.21 112.266 179.729 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.6 tp -54.79 -37.57 66.23 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 115.079 1.511 . . . . 30.37 115.079 -178.344 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.87 -25.37 70.61 Favored Glycine 0 CA--C 1.537 1.454 0 CA-C-O 117.312 -1.827 . . . . 21.62 109.809 -176.725 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -64.87 -43.34 93.26 Favored 'General case' 0 C--O 1.252 1.216 0 CA-C-N 118.595 1.198 . . . . 24.21 110.64 176.835 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -65.63 -42.49 91.42 Favored 'General case' 0 C--O 1.254 1.315 0 CA-C-O 123.396 1.57 . . . . 21.84 112.51 178.692 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.8 t -67.03 -42.71 88.88 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 O-C-N 119.857 -1.777 . . . . 23.49 113.067 178.45 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 51.3 t -59.55 -44.18 93.33 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 115.697 -2.097 . . . . 23.64 109.032 174.99 -178.21 -86.482 -93.437 104.724 2.066 104.763 -75.279 -64.644 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.98 -44.75 96.08 Favored 'General case' 0 C--O 1.252 1.225 0 O-C-N 126.613 2.446 . . . . 19.93 108.404 -179.621 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.27 -38.03 87.77 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-O 124.958 2.313 . . . . 19.04 113.11 179.803 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -60.97 -44.23 97.64 Favored 'General case' 0 C--O 1.257 1.464 0 O-C-N 117.433 -3.292 . . . . 32.18 113.085 179.223 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -85.86 -23.99 26.87 Favored 'General case' 0 C--O 1.242 0.664 0 O-C-N 126.412 2.32 . . . . 27.46 110.586 -173.985 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -75.12 -45.5 40.66 Favored 'General case' 0 N--CA 1.482 1.15 0 O-C-N 124.235 0.959 . . . . 24.47 109.248 177.475 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 60.4 p -135.1 0.39 2.85 Favored 'General case' 0 C--O 1.255 1.372 0 N-CA-C 116.037 1.866 . . . . 19.57 116.037 -166.252 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.6 t30 56.93 30.44 18.01 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 121.606 -0.684 . . . . 30.56 112.834 -173.942 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 67.28 26.99 8.44 Favored 'General case' 0 C--N 1.307 -1.242 0 C-N-CA 128.376 2.67 . . . . 21.32 111.634 177.268 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -105.71 117.3 33.66 Favored 'General case' 0 C--O 1.244 0.791 0 C-N-CA 118.392 -1.323 . . . . 23.13 110.058 -175.298 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' THR . . . . . 0.456 HG22 HD13 ' A' ' 55' ' ' ILE . 62.2 p -66.05 -18.51 65.39 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-O 111.834 -3.936 . . . . 22.03 112.607 -177.238 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -93.98 3.55 55.19 Favored 'General case' 0 C--O 1.254 1.313 1 O-C-N 131.083 5.24 . . . . 22.4 110.156 -173.624 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.63 134.85 54.86 Favored 'General case' 0 C--O 1.211 -0.929 0 CA-C-O 123.421 1.582 . . . . 18.51 112.942 179.072 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 70.8 p -137.25 143.42 42.23 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 107.324 -1.362 . . . . 23.39 107.324 173.158 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 -147.69 131.44 16.96 Favored 'General case' 0 C--N 1.313 -0.995 0 O-C-N 120.052 -1.655 . . . . 32.55 109.636 176.391 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.76 137.84 36.26 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 126.974 2.671 . . . . 58.75 111.27 -178.042 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -94.06 163.11 13.61 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 122.882 1.325 . . . . 28.93 110.338 177.876 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 36.4 p -64.98 -27.24 68.7 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 117.629 -1.629 . . . . 53.56 111.194 -175.417 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.511 ' OD2' ' H22' ' A' ' 230' ' ' EDO . 32.9 p-10 -82.75 4.48 24.98 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 118.154 -1.418 . . . . 42.9 111.167 -178.998 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.5 -3.48 86.38 Favored Glycine 0 C--O 1.248 1.023 0 O-C-N 125.332 1.645 . . . . 35.4 114.763 179.531 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 77.7 p -77.08 174.45 10.66 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 116.428 -2.109 . . . . 22.1 106.211 170.774 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 85.6 m -133.21 145.11 50.27 Favored 'General case' 0 C--O 1.195 -1.774 0 O-C-N 120.607 -1.308 . . . . 19.33 108.689 176.273 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -99.28 138.91 35.71 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 125.44 1.712 . . . . 30.9 111.626 173.332 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -132.25 133.45 44.13 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 123.862 0.726 . . . . 19.81 112.884 -170.341 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 81.31 -170.39 52.36 Favored Glycine 0 CA--C 1.502 -0.746 0 O-C-N 128.176 3.422 . . . . 18.03 113.97 167.967 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.456 HD13 HG22 ' A' ' 40' ' ' THR 0.257 0.2 OUTLIER -56.52 -30.25 31.02 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.864 0 CA-C-N 111.261 -2.469 . . . . 47.34 112.146 -169.502 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 52.9 mt -118.06 17.18 14.12 Favored 'General case' 0 N--CA 1.446 -0.662 0 O-C-N 119.059 -2.276 . . . . 28.07 113.395 179.392 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 40.8 mm-40 46.53 56.97 5.86 Favored 'General case' 0 C--O 1.242 0.711 0 C-N-CA 125.052 1.341 . . . . 21.27 112.505 169.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 59.1 mt -78.25 131.66 34.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 O-C-N 127.157 2.785 . . . . 34.3 109.798 -178.334 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.693 ' ND2' ' HB3' ' A' ' 61' ' ' ARG . 57.4 t30 -88.57 138.41 31.45 Favored 'General case' 0 C--O 1.211 -0.942 0 CA-C-O 124.665 2.174 . . . . 59.89 112.772 -167.223 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 99.5 p -74.79 -7.45 53.44 Favored 'General case' 0 N--CA 1.452 -0.34 0 O-C-N 120.04 -1.663 . . . . 26.4 112.273 179.287 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.693 ' HB3' ' ND2' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -67.46 -37.04 82.35 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 117.115 -1.834 . . . . 91.48 109.31 -177.863 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 86.7 m95 -120.47 -26.26 5.42 Favored 'General case' 0 CA--C 1.497 -1.092 0 N-CA-C 117.065 2.246 . . . . 52.87 117.065 178.727 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.587 ' CE2' HG12 ' A' ' 98' ' ' ILE . 85.7 m95 -114.79 -19.51 10.99 Favored 'General case' 0 C--N 1.36 1.022 0 C-N-CA 114.821 -2.752 . . . . 24.48 117.946 -159.97 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 26.5 p -143.02 161.12 38.99 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 117.252 -1.779 . . . . 22.27 108.995 179.736 59.031 86.122 93.628 104.442 2.056 102.711 -63.054 -58.289 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -97.67 123.53 41.62 Favored 'General case' 0 C--N 1.353 0.747 0 O-C-N 126.523 2.389 . . . . 28.07 112.095 179.817 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 57.5 p30 -118.55 2.13 11.75 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-O 116.221 -1.847 . . . . 20.41 111.522 173.952 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 75.22 -3.69 45.2 Favored Glycine 0 C--O 1.244 0.778 1 O-C-N 130.732 5.02 . . . . 30.23 114.364 176.401 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.0 ptt180 -134.44 22.78 3.71 Favored 'General case' 0 C--O 1.254 1.341 0 CA-C-N 122.608 3.204 . . . . 32.19 113.159 -178.608 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.8 m -116.51 88.62 24.73 Favored Pre-proline 0 C--O 1.245 0.853 0 CA-C-O 123.373 1.559 . . . . 25.54 112.053 179.129 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -56.51 138.43 84.36 Favored 'Trans proline' 0 C--N 1.316 -1.167 0 N-CA-C 113.66 0.6 . . . . 36.97 113.66 -171.803 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 71.43 11.33 71.8 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 126.841 2.162 . . . . 52.06 112.211 173.33 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 39.8 p -82.36 172.86 12.6 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 117.096 -1.431 . . . . 46.23 109.03 -175.312 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 44.2 mmm-85 -115.85 174.69 5.9 Favored 'General case' 0 C--O 1.255 1.351 0 O-C-N 126.047 2.092 . . . . 56.29 113.901 168.019 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -133.71 61.61 1.67 Allowed 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 130.871 3.669 . . . . 33.63 110.403 -179.848 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 87.0 mt -69.23 -22.98 63.82 Favored 'General case' 0 C--O 1.258 1.535 0 O-C-N 125.654 1.846 . . . . 39.11 112.728 -173.048 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 84.0 m -89.58 -0.39 57.48 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 119.207 -2.183 . . . . 26.84 110.932 176.875 -67.518 165.39 82.813 102.801 2.074 102.822 52.499 -175.307 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.3 m120 53.93 47.02 24.41 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 117.146 2.276 . . . . 77.87 117.146 -179.836 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.1 pt -142.73 151.95 58.19 Favored Pre-proline 0 C--N 1.352 0.691 0 O-C-N 119.58 -1.95 . . . . 39.33 110.697 178.2 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -66.81 139.03 50.71 Favored 'Trans proline' 0 N--CA 1.446 -1.282 0 N-CA-C 107.066 -1.936 . . . . 31.75 107.066 168.827 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 69.1 m -58.89 -27.82 65.57 Favored 'General case' 0 C--O 1.249 1.073 0 CA-C-N 119.953 1.251 . . . . 23.49 112.759 177.452 -58.289 -63.054 93.628 102.711 2.056 104.442 86.122 59.031 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 80.0 p -57.51 -27.56 62.67 Favored 'General case' 0 C--O 1.247 0.938 0 O-C-N 119.413 -2.054 . . . . 27.38 115.184 176.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.99 -27.45 63.49 Favored 'General case' 0 C--O 1.246 0.9 0 CA-C-N 115.749 -0.659 . . . . 30.0 110.741 176.221 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 85.8 mt -82.85 2.21 35.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.403 -0.817 . . . . 32.57 111.365 -174.573 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 48.6 mt -105.49 -3.52 22.38 Favored 'General case' 0 C--O 1.245 0.817 0 O-C-N 119.279 -2.138 . . . . 29.47 114.039 178.004 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 36.8 t -56.4 146.61 23.8 Favored 'General case' 0 C--N 1.315 -0.931 0 C-N-CA 126.439 1.895 . . . . 29.15 114.146 179.761 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.6 m -62.54 -26.72 68.71 Favored 'General case' 0 C--O 1.237 0.431 0 O-C-N 121.025 -1.047 . . . . 51.32 110.943 171.057 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -83.73 115.35 22.16 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 124.644 1.177 . . . . 60.37 110.32 171.346 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 24.7 pt -87.78 5.18 4.03 Favored 'Isoleucine or valine' 0 C--O 1.256 1.405 0 N-CA-C 114.051 1.13 . . . . 29.82 114.051 -172.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 93.0 m -50.66 -47.19 58.71 Favored 'General case' 0 C--O 1.249 1.03 0 O-C-N 118.469 -2.644 . . . . 42.12 114.999 179.3 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.17 -36.37 82.92 Favored 'General case' 0 CA--C 1.514 -0.408 1 O-C-N 115.264 -4.647 . . . . 25.12 112.194 -178.982 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.0 m -70.63 -37.15 73.77 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 115.302 -2.559 . . . . 22.56 107.797 -177.227 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 48.3 t -65.66 -47.7 85.19 Favored 'Isoleucine or valine' 0 C--N 1.364 1.226 0 C-N-CA 115.936 -2.305 . . . . 25.36 110.127 -177.171 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -58.67 -38.11 77.47 Favored 'General case' 0 C--N 1.347 0.485 0 O-C-N 120.246 -1.534 . . . . 54.78 111.891 -179.11 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 43.9 t -72.73 -40.68 65.89 Favored 'General case' 0 C--N 1.357 0.91 0 N-CA-C 108.773 -0.825 . . . . 24.98 108.773 -178.111 -175.307 52.499 82.813 102.822 2.074 102.801 165.39 -67.518 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -54.51 -37.85 65.82 Favored 'General case' 0 C--O 1.243 0.741 0 N-CA-C 115.671 1.73 . . . . 20.93 115.671 173.247 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -61.91 -40.63 96.15 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 117.471 -1.692 . . . . 33.67 111.896 177.33 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 40.6 mttp -62.5 -43.87 97.77 Favored 'General case' 0 C--N 1.347 0.459 0 O-C-N 120.981 -1.074 . . . . 60.15 111.526 173.036 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.587 HG12 ' CE2' ' A' ' 63' ' ' TRP . 81.3 mt -63.9 -46.58 93.76 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 CA-C-O 123.085 1.421 . . . . 23.03 110.402 -174.549 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 7.7 p -74.57 -10.96 14.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 116.239 -2.184 . . . . 27.74 109.94 -174.083 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.5 m -88.95 -5.61 57.85 Favored 'General case' 0 C--N 1.346 0.422 0 O-C-N 124.157 0.911 . . . . 33.94 112.596 173.916 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.581 ' HB3' ' O ' ' A' ' 394' ' ' HOH . 25.3 t70 -78.75 -8.27 58.58 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 127.558 2.343 . . . . 81.95 111.573 -168.923 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 131.3 -18.5 4.96 Favored Glycine 0 C--N 1.335 0.514 0 C-N-CA 120.688 -0.768 . . . . 43.0 113.366 164.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -111.03 10.4 22.09 Favored 'General case' 0 C--O 1.225 -0.208 0 O-C-N 120.271 -1.723 . . . . 67.7 110.809 -176.503 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 62.12 -142.18 47.85 Favored Glycine 0 CA--C 1.54 1.606 0 N-CA-C 107.51 -2.236 . . . . 21.44 107.51 176.369 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 66.1 mtp -82.88 -0.56 48.86 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 116.303 -1.808 . . . . 20.76 110.83 -175.741 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -61.22 -16.88 49.78 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 121.18 1.809 . . . . 24.94 112.27 172.57 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -53.48 -29.78 37.69 Favored 'General case' 0 C--O 1.254 1.293 0 CA-C-O 116.89 -1.528 . . . . 27.26 113.159 171.543 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 31.1 m-90 -93.17 102.89 15.2 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 106.002 -1.851 . . . . 29.0 106.002 177.435 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 37.3 t -63.63 -29.53 47.52 Favored 'Isoleucine or valine' 0 C--O 1.247 0.957 0 C-N-CA 114.667 -2.813 . . . . 43.42 110.688 -176.182 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.83 -32.91 73.78 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-N 120.57 1.532 . . . . 25.56 109.631 178.582 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 83.1 t90 -66.5 -50.01 64.66 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 118.766 -1.174 . . . . 22.89 108.192 175.954 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 54.3 ttp85 -57.77 -41.28 81.69 Favored 'General case' 0 C--O 1.238 0.492 0 O-C-N 120.959 -1.088 . . . . 53.95 111.072 179.823 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -88.23 -19.2 27.16 Favored 'General case' 0 C--O 1.25 1.116 0 C-N-CA 116.989 -1.884 . . . . 30.31 113.647 -171.273 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -125.87 -9.78 6.64 Favored 'General case' 0 C--O 1.224 -0.249 0 O-C-N 119.412 -2.055 . . . . 28.68 115.52 -176.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 87.7 m -120.51 -41.77 2.58 Favored 'General case' 0 C--O 1.254 1.293 0 CA-C-O 118.506 -0.759 . . . . 25.18 109.393 -172.02 -64.644 -75.279 -93.437 104.763 2.066 104.724 -86.482 -178.21 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 69.6 tttt -54.58 127.36 27.57 Favored 'General case' 0 C--N 1.343 0.321 0 O-C-N 128.382 3.551 . . . . 25.65 110.205 -175.008 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 79.53 3.73 88.95 Favored Glycine 0 C--N 1.318 -0.461 0 O-C-N 128.011 3.319 . . . . 44.15 114.028 174.295 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.9 p -98.19 177.43 5.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 121.186 -1.185 . . . . 28.69 109.327 179.238 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -81.09 69.81 7.78 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-O 123.291 1.519 . . . . 49.51 109.519 179.607 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 30.7 m -59.1 -27.9 37.41 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.577 0 CA-C-N 113.233 -1.803 . . . . 30.3 113.583 -178.19 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.11 -21.76 34.63 Favored 'General case' 0 C--N 1.367 1.353 0 O-C-N 120.415 -1.428 . . . . 61.52 114.238 177.339 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.709 ' O ' ' HD3' ' A' ' 125' ' ' ARG . . . -58.27 -29.08 65.53 Favored 'General case' 0 C--O 1.214 -0.783 0 CA-C-N 119.515 1.052 . . . . 29.6 111.334 175.882 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -67.7 -12.54 60.73 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 120.506 -1.371 . . . . 30.97 114.52 -178.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 6.0 pt -121.49 3.94 6.25 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 CA-C-O 116.2 -1.857 . . . . 36.96 109.032 178.4 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.709 ' HD3' ' O ' ' A' ' 122' ' ' ALA . 2.1 ptt180 -47.53 130.53 13.92 Favored 'General case' 0 N--CA 1.484 1.244 0 O-C-N 128.32 3.512 . . . . 93.41 112.606 177.275 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 80.92 -8.81 55.82 Favored Glycine 0 C--N 1.34 0.777 0 O-C-N 117.192 -3.443 . . . . 37.96 116.125 173.684 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 77.7 m -74.81 125.97 29.94 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 118.551 1.176 . . . . 33.4 111.895 -178.109 -60.848 -53.467 -71.364 106.923 2.026 103.179 -58.035 -65.367 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 8.6 tpt85 -70.81 100.78 1.98 Allowed 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 113.985 -1.461 . . . . 76.3 107.242 171.624 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.534 HD22 ' HD2' ' A' ' 13' ' ' LYS . 10.3 mt . . . . . 0 C--O 1.269 2.106 1 CA-C-O 109.53 -5.033 . . . . 100.25 111.677 -171.046 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 200' ' ' REJ . . . . . 0.416 ' N ' ' CE1' ' A' ' 15' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 230' ' ' EDO . . . . . 0.618 ' H12' ' NH1' ' A' ' 61' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 300' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 332' ' ' HOH . . . . . 0.49 ' O ' ' HB3' ' A' ' 18' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 334' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 336' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 339' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 340' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 341' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 342' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 343' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 344' ' ' HOH . . . . . 0.447 ' O ' ' NZ ' ' A' ' 1' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 345' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 346' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 347' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 348' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 349' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 350' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 351' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 352' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 353' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 354' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 355' ' ' HOH . . . . . 0.447 ' O ' ' HE3' ' A' ' 13' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 356' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 357' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 358' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 359' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 361' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 362' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 363' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 364' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 365' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 366' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 367' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 368' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 369' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 370' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 371' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 372' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 373' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 374' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 375' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 376' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 377' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 378' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 379' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 380' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 381' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 382' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 383' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 384' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 385' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 386' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 387' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 388' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 389' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 390' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 391' ' ' HOH . . . . . 0.537 ' O ' ' HD3' ' A' ' 14' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 392' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 393' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 394' ' ' HOH . . . . . 0.581 ' O ' ' HB3' ' A' ' 101' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 395' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 396' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 397' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 398' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 399' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 400' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 401' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 402' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_