data_2esh_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 2esh _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 ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.525 3.289 0 N-CA-C 113.484 0.92 . . . . 86.76 113.484 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -91.77 -174.45 42.78 Favored Glycine 0 N--CA 1.487 2.048 0 N-CA-C 122.884 3.913 . . . . 73.28 122.884 -171.653 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -81.25 139.74 20.67 Favored Glycine 0 C--O 1.266 2.117 0 N-CA-C 116.919 1.528 . . . . 66.98 116.919 173.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.42 -148.74 0.4 Allowed 'General case' 0 CA--C 1.581 2.164 0 C-N-CA 125.075 1.35 . . . . 69.29 113.343 -171.967 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.14 -158.22 21.67 Favored Glycine 0 CA--C 1.534 1.22 0 N-CA-C 115.75 1.06 . . . . 48.68 115.75 179.861 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -64.17 -38.86 92.58 Favored 'General case' 0 N--CA 1.424 -1.726 0 O-C-N 121.346 -1.09 . . . . 44.02 112.219 -179.98 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.7 ttp85 -59.88 -47.72 84.62 Favored 'General case' 0 C--O 1.262 1.754 0 C-N-CA 125.157 1.383 . . . . 72.2 109.959 -176.077 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -42.72 -48.55 6.05 Favored Glycine 0 CA--C 1.539 1.544 0 C-N-CA 125.943 1.735 . . . . 39.3 114.347 165.195 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 88.7 t90 -74.38 -41.68 60.58 Favored 'General case' 0 N--CA 1.428 -1.557 0 CA-C-O 123.607 1.67 . . . . 36.98 107.833 -174.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 55.3 t-105 -70.26 -35.37 73.74 Favored 'General case' 0 C--N 1.307 -1.261 0 CA-C-N 114.33 -1.304 . . . . 44.83 110.585 -177.184 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.9 tp -65.78 -54.61 24.67 Favored 'General case' 0 CA--C 1.59 2.514 0 N-CA-C 113.703 1.001 . . . . 39.72 113.703 173.214 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.66 -43.91 65.84 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.142 -0.974 . . . . 35.52 110.514 178.247 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 72.4 m -65.1 -44.79 87.65 Favored 'General case' 0 CA--C 1.476 -1.895 0 N-CA-C 108.374 -0.973 . . . . 37.41 108.374 -173.808 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 96.9 m -74.73 -36.39 62.64 Favored 'General case' 0 CA--C 1.515 -0.386 0 O-C-N 124.282 0.988 . . . . 35.99 111.129 -175.228 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ILE . . . . . 0.594 ' CD1' ' CG2' ' A' ' 55' ' ' VAL . 93.0 mt -62.09 -43.64 97.99 Favored 'Isoleucine or valine' 0 C--O 1.271 2.187 0 N-CA-C 114.038 1.125 . . . . 41.47 114.038 175.749 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.9 tp -56.95 -49.12 76.64 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 124.133 0.896 . . . . 40.5 110.253 176.933 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -48.24 82.41 Favored 'General case' 0 CA--C 1.473 -1.997 0 CA-C-N 114.917 -1.038 . . . . 45.62 112.082 179.811 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.5 mt -62.98 -42.31 99.8 Favored 'General case' 0 C--O 1.242 0.684 0 N-CA-C 106.87 -1.53 . . . . 34.03 106.87 -174.472 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 98.6 t -58.65 -44.17 89.11 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.407 0 N-CA-C 117.4 2.37 . . . . 36.38 117.4 170.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.54 -41.02 69.25 Favored 'General case' 0 C--N 1.357 0.913 0 CA-C-N 118.976 0.807 . . . . 39.02 111.061 174.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -68.02 -39.98 83.04 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 115.894 -0.594 . . . . 47.62 112.085 -177.202 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -155.4 112.63 2.25 Favored Pre-proline 0 C--N 1.348 0.511 0 O-C-N 121.622 -0.674 . . . . 52.86 109.85 176.677 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -55.29 142.26 79.44 Favored 'Trans proline' 0 CA--C 1.553 1.455 0 N-CA-C 108.66 -1.323 . . . . 38.84 108.66 178.864 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.3 t -170.09 177.46 4.25 Favored 'General case' 0 CA--C 1.495 -1.156 0 N-CA-C 113.831 1.048 . . . . 45.75 113.831 -172.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 41.4 p-80 -99.74 158.09 16.03 Favored 'General case' 0 C--O 1.184 -2.347 0 CA-C-N 115.487 -0.779 . . . . 46.58 111.907 179.759 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -26.94 -58.11 0.09 OUTLIER Glycine 0 N--CA 1.427 -1.932 0 N-CA-C 117.954 1.942 . . . . 43.31 117.954 165.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -61.64 -49.11 77.88 Favored 'General case' 0 C--O 1.248 0.997 0 N-CA-C 115.07 1.507 . . . . 59.87 115.07 -174.981 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -66.56 -35.88 81.3 Favored 'General case' 0 CA--C 1.563 1.458 0 N-CA-C 109.058 -0.719 . . . . 50.9 109.058 -179.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.5 mt -59.48 -36.52 76.17 Favored 'General case' 0 CA--C 1.502 -0.887 0 C-N-CA 120.244 -0.583 . . . . 49.22 110.407 -177.422 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.19 -40.71 86.55 Favored 'General case' 0 CA--C 1.497 -1.09 0 C-N-CA 124.66 1.184 . . . . 52.35 110.848 -179.212 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -64.99 -43.96 90.86 Favored 'General case' 0 CA--C 1.492 -1.266 0 N-CA-C 112.302 0.482 . . . . 62.74 112.302 -178.924 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.6 mtp180 -72.11 -26.92 62.32 Favored 'General case' 0 CA--C 1.516 -0.332 0 O-C-N 124.209 0.943 . . . . 56.64 111.065 178.549 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LEU . . . . . 0.697 ' CD1' ' CD1' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -75.46 -21.37 58.15 Favored 'General case' 0 C--O 1.207 -1.167 0 N-CA-C 113.616 0.969 . . . . 64.63 113.616 174.763 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.06 -56.66 4.3 Favored 'General case' 0 C--O 1.261 1.663 0 N-CA-C 107.312 -1.366 . . . . 69.97 107.312 -173.648 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.07 -10.36 1.84 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 126.398 2.311 . . . . 79.86 114.257 170.634 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -68.63 -64.15 0.92 Allowed 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 123.121 0.568 . . . . 77.25 111.041 162.452 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 62.24 -128.67 42.18 Favored Glycine 0 C--O 1.269 2.287 0 CA-C-O 119.895 -0.391 . . . . 76.79 113.221 175.76 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ILE . . . . . 0.585 ' CG2' ' CG1' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -158.93 114.97 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.23 0 N-CA-C 121.621 3.934 . . . . 75.77 121.621 -170.851 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -96.37 17.83 15.18 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 115.223 -0.899 . . . . 72.95 111.295 160.021 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 22.0 mm -121.23 110.7 34.18 Favored Pre-proline 0 N--CA 1.486 1.356 0 C-N-CA 128.344 2.658 . . . . 54.71 111.005 -166.383 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -52.77 126.84 22.41 Favored 'Trans proline' 0 C--N 1.362 1.263 0 C-N-CA 121.396 1.397 . . . . 50.98 115.159 -176.898 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.57 -7.0 82.79 Favored Glycine 0 N--CA 1.442 -0.918 0 N-CA-C 118.281 2.072 . . . . 62.13 118.281 171.212 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ILE . . . . . 0.585 ' CG1' ' CG2' ' A' ' 41' ' ' ILE 0.433 2.6 pt -87.82 -50.25 13.84 Favored 'Isoleucine or valine' 0 C--O 1.263 1.793 0 N-CA-C 117.972 2.582 . . . . 70.98 117.972 -170.53 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.69 -104.1 2.81 Favored Glycine 0 C--O 1.27 2.399 0 N-CA-C 106.989 -2.445 . . . . 75.35 106.989 176.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' HIS . . . . . 0.403 ' CB ' ' CA ' ' A' ' 49' ' ' MET . 0.7 OUTLIER -93.56 -83.88 0.31 Allowed 'General case' 0 C--O 1.279 2.629 0 N-CA-C 100.528 -3.878 . . . . 87.92 100.528 -53.406 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' MET . . . . . 0.403 ' CA ' ' CB ' ' A' ' 48' ' ' HIS . 1.8 mmt -118.96 -80.3 0.61 Allowed 'General case' 0 CA--C 1.595 2.697 0 CA-C-N 119.82 1.191 . . . . 77.23 112.929 27.18 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 104.77 -179.39 24.25 Favored Glycine 1 N--CA 1.562 7.08 0 C-N-CA 115.767 -3.111 . . . . 68.73 107.616 152.656 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . 0.387 4.2 t-20 -11.5 70.44 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.464 0 N-CA-C 121.113 3.746 . . . . 61.27 121.113 -140.834 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ILE . . . . . 0.697 ' CD1' ' CD1' ' A' ' 36' ' ' LEU . 1.0 OUTLIER -46.55 -64.6 0.22 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.155 0 CA-C-N 113.858 -1.519 . . . . 56.16 109.606 165.979 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -39.42 -44.33 1.35 Allowed 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 117.599 2.444 . . . . 55.0 117.599 175.614 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 28.9 ttm-85 -74.33 -39.9 62.53 Favored 'General case' 0 C--O 1.277 2.543 0 C-N-CA 117.692 -1.603 . . . . 51.06 112.232 -171.603 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' VAL . . . . . 0.594 ' CG2' ' CD1' ' A' ' 18' ' ' ILE 0.259 0.7 OUTLIER -76.93 -32.01 19.44 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 C-N-CA 117.763 -1.575 . . . . 46.61 110.538 175.256 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 21.0 mt -52.43 -57.0 11.23 Favored 'General case' 0 CA--C 1.55 0.942 0 N-CA-C 113.75 1.019 . . . . 39.36 113.75 159.834 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.05 -39.25 66.06 Favored 'General case' 0 C--O 1.303 3.902 0 CA-C-O 123.308 1.528 . . . . 36.07 113.794 177.414 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -62.25 -41.58 98.57 Favored 'General case' 0 C--O 1.203 -1.385 0 CA-C-N 113.695 -1.593 . . . . 46.33 113.113 176.38 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 33.7 mt -77.2 -35.81 55.36 Favored 'General case' 0 C--O 1.272 2.285 0 N-CA-C 107.186 -1.413 . . . . 38.0 107.186 -174.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' GLU . . . . . 0.428 ' OE2' ' CG2' ' A' ' 67' ' ' THR . 43.1 tt0 -58.12 -56.06 26.87 Favored 'General case' 0 CA--C 1.495 -1.143 0 N-CA-C 116.075 1.88 . . . . 48.78 116.075 167.796 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -49.95 -33.61 18.17 Favored 'General case' 0 N--CA 1.429 -1.522 0 N-CA-C 114.23 1.196 . . . . 65.22 114.23 172.603 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 66.0 m -87.32 -10.69 51.6 Favored 'General case' 0 C--O 1.245 0.846 0 CA-C-N 116.471 -0.331 . . . . 46.52 110.232 -172.133 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.47 17.86 44.09 Favored Glycine 0 C--O 1.265 2.047 0 O-C-N 124.248 0.967 . . . . 39.08 111.587 170.823 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -91.08 -10.65 41.28 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-O 122.019 0.914 . . . . 40.2 109.694 -178.252 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.6 mt -141.34 143.12 33.84 Favored 'General case' 0 C--O 1.266 1.957 0 N-CA-C 106.109 -1.811 . . . . 31.81 106.109 -177.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 93.0 p -110.88 171.4 7.49 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 124.732 1.27 . . . . 36.26 110.205 166.456 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' THR . . . . . 0.59 ' CG2' ' O ' ' A' 2028 ' ' HOH 0.29 0.4 OUTLIER -136.54 144.52 44.28 Favored 'General case' 0 C--O 1.184 -2.385 0 O-C-N 121.579 -0.7 . . . . 42.4 110.986 -170.671 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -150.33 133.09 15.91 Favored 'General case' 0 C--O 1.174 -2.881 0 N-CA-C 106.441 -1.689 . . . . 65.74 106.441 170.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 88.9 m95 -70.36 126.66 30.29 Favored 'General case' 0 C--O 1.19 -2.057 0 N-CA-C 114.346 1.239 . . . . 37.26 114.346 175.476 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -83.49 108.22 16.49 Favored 'General case' 0 CA--C 1.56 1.358 0 N-CA-C 106.673 -1.602 . . . . 47.54 106.673 163.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.0 p -96.64 0.03 49.23 Favored 'General case' 0 C--O 1.19 -2.053 0 N-CA-C 107.432 -1.322 . . . . 38.95 107.432 -175.098 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 68.0 p -78.56 -13.58 59.76 Favored 'General case' 0 C--O 1.294 3.435 0 CA-C-N 119.83 1.195 . . . . 41.5 111.59 -175.784 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.3 m -112.24 172.14 3.15 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.086 0 CA-C-N 114.89 -1.05 . . . . 38.98 108.298 179.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.5 t -140.09 117.06 8.14 Favored Pre-proline 0 N--CA 1.412 -2.368 0 CA-C-N 114.407 -1.27 . . . . 40.24 110.577 -176.621 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -77.92 166.6 80.61 Favored 'Cis proline' 0 N--CA 1.42 -2.805 0 C-N-CA 122.139 -2.025 . . . . 37.03 108.795 5.459 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo -63.03 147.33 94.58 Favored 'Trans proline' 0 C--N 1.378 2.104 0 C-N-CA 122.459 2.106 . . . . 38.35 108.785 178.491 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -122.19 129.86 52.67 Favored 'General case' 0 C--O 1.217 -0.638 0 C-N-CA 125.015 1.326 . . . . 52.55 109.735 -179.14 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 69.5 tttt -80.46 110.96 16.42 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 125.345 1.458 . . . . 40.82 109.566 179.282 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 41.1 mm -86.71 121.93 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.486 0 CA-C-O 122.86 1.314 . . . . 39.02 113.772 -178.58 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -91.76 141.03 29.11 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.935 -1.103 . . . . 36.15 109.768 177.401 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 11.4 ttm-85 -141.76 142.52 33.25 Favored 'General case' 0 C--O 1.255 1.357 0 N-CA-C 108.133 -1.062 . . . . 35.92 108.133 -175.324 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 12.7 tt -71.08 139.05 20.56 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.663 0 C-N-CA 118.598 -1.241 . . . . 36.07 111.758 179.328 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 27.8 p -95.82 165.35 16.69 Favored Pre-proline 0 N--CA 1.408 -2.528 0 C-N-CA 123.378 0.671 . . . . 36.92 109.959 171.46 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -59.83 -31.58 94.13 Favored 'Trans proline' 0 C--N 1.41 3.797 0 C-N-CA 121.884 1.723 . . . . 37.02 111.509 177.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 65.0 mm-40 -60.81 -34.47 74.57 Favored 'General case' 0 CA--C 1.565 1.526 0 N-CA-C 116.46 2.022 . . . . 49.29 116.46 169.275 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -75.91 -37.44 38.73 Favored Glycine 0 N--CA 1.399 -3.767 0 N-CA-C 105.231 -3.148 . . . . 36.08 105.231 -172.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 26.4 mttt -63.97 -36.0 82.53 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 114.616 1.339 . . . . 51.61 114.616 171.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 70.7 mt -66.34 -36.79 83.81 Favored 'General case' 0 N--CA 1.496 1.871 0 CA-C-O 121.998 0.904 . . . . 35.23 112.175 173.475 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -67.27 -37.73 83.93 Favored 'General case' 0 C--O 1.277 2.517 0 N-CA-C 108.224 -1.028 . . . . 41.4 108.224 176.417 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.0 tp -62.12 -42.4 99.2 Favored 'General case' 0 C--O 1.263 1.809 0 N-CA-C 117.57 2.433 . . . . 36.85 117.57 174.525 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 79.5 mtt-85 -59.93 -38.63 82.93 Favored 'General case' 0 C--O 1.192 -1.944 0 N-CA-C 110.387 -0.227 . . . . 42.22 110.387 172.482 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -60.57 -36.08 77.64 Favored 'General case' 0 C--O 1.192 -1.963 0 O-C-N 120.885 -1.134 . . . . 40.58 112.369 172.477 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.8 mt -71.54 -38.92 69.54 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.762 0 CA-C-N 119.541 1.064 . . . . 34.42 108.374 178.134 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 25.8 tp -63.12 -47.29 83.4 Favored 'General case' 0 N--CA 1.422 -1.869 0 N-CA-C 107.019 -1.474 . . . . 37.79 107.019 -178.267 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 -62.98 -38.77 92.45 Favored 'General case' 0 N--CA 1.432 -1.339 0 O-C-N 119.9 -1.75 . . . . 51.71 109.446 -175.553 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.2 m -66.81 -32.51 73.84 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 115.708 1.744 . . . . 32.68 115.708 177.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 90.3 mt -61.59 -42.52 98.98 Favored 'General case' 0 C--O 1.254 1.316 0 CA-C-O 118.911 -0.566 . . . . 36.34 109.772 172.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -62.5 -41.94 99.16 Favored 'General case' 0 N--CA 1.482 1.153 0 O-C-N 124.301 1.001 . . . . 38.27 113.007 173.633 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -52.53 -49.93 63.86 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-O 121.788 0.804 . . . . 43.66 109.425 170.712 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 75.8 mtp -66.05 -43.78 86.48 Favored 'General case' 0 C--O 1.192 -1.948 0 N-CA-C 107.42 -1.326 . . . . 47.71 107.42 -172.525 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -64.51 -36.62 84.8 Favored 'General case' 0 N--CA 1.431 -1.397 0 O-C-N 123.681 0.613 . . . . 57.61 111.25 -175.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 31.5 ttm105 -68.79 -40.44 79.64 Favored 'General case' 0 C--O 1.196 -1.737 0 N-CA-C 107.859 -1.163 . . . . 54.32 107.859 179.548 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 18.3 tpt180 -63.65 -39.11 93.52 Favored 'General case' 0 CA--C 1.572 1.795 0 C-N-CA 118.35 -1.34 . . . . 61.51 112.666 178.554 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 47.8 mt -63.57 -40.21 88.19 Favored 'Isoleucine or valine' 0 C--O 1.249 1.034 0 N-CA-C 108.066 -1.087 . . . . 34.75 108.066 -179.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -71.82 -26.9 62.58 Favored 'General case' 0 CA--C 1.486 -1.503 0 C-N-CA 119.15 -1.02 . . . . 54.18 112.191 -178.192 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 80.4 p -71.36 -38.29 71.58 Favored 'General case' 0 C--O 1.179 -2.642 0 C-N-CA 118.569 -1.252 . . . . 47.52 108.833 176.018 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 27.7 mt -63.48 -49.42 73.67 Favored 'General case' 0 C--O 1.182 -2.478 0 N-CA-C 113.326 0.862 . . . . 48.2 113.326 172.59 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -47.07 -42.83 19.42 Favored 'General case' 0 C--O 1.201 -1.458 0 CA-C-O 118.163 -0.922 . . . . 56.04 110.154 177.961 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -77.34 -36.39 53.87 Favored 'General case' 0 CA--C 1.504 -0.797 0 CA-C-O 122.399 1.095 . . . . 52.5 108.925 -174.104 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 44.1 mtp180 -65.45 -36.07 82.79 Favored 'General case' 0 C--N 1.313 -1.017 0 C-N-CA 118.616 -1.233 . . . . 51.51 107.909 -175.577 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 79.1 mt -71.65 -40.31 70.46 Favored 'Isoleucine or valine' 0 C--O 1.246 0.909 0 CA-C-N 115.266 -0.879 . . . . 39.93 111.773 -177.325 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -65.03 -39.55 93.53 Favored 'General case' 0 C--O 1.185 -2.312 0 N-CA-C 107.057 -1.46 . . . . 59.67 107.057 -179.261 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 91.8 mtm-85 -58.89 -40.62 85.01 Favored 'General case' 0 C--O 1.209 -1.067 0 N-CA-C 114.138 1.162 . . . . 68.09 114.138 176.624 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 13.3 m -79.21 -18.26 12.99 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.09 0 N-CA-C 114.353 1.242 . . . . 45.98 114.353 178.523 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 76.7 mt -80.32 -30.48 38.13 Favored 'General case' 0 C--O 1.192 -1.929 0 O-C-N 124.509 1.131 . . . . 51.79 113.11 172.513 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.2 -13.86 56.47 Favored 'General case' 0 C--O 1.223 -0.305 0 N-CA-C 106.323 -1.732 . . . . 56.24 106.323 169.492 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 . . . . . 0 N--CA 1.491 1.617 0 C-N-CA 123.456 0.703 . . . . 70.58 112.575 -177.568 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2000 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2008 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2009 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2010 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2011 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2012 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2013 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2014 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2015 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2016 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2017 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2018 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2019 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2020 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2021 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2022 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2023 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2024 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2025 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2026 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2027 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2028 ' ' HOH . . . . . 0.59 ' O ' ' CG2' ' A' ' 67' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 2029 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2030 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2031 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2032 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2033 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2034 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2035 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2036 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2037 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2038 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2039 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2040 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ARG . . . . . 0.522 ' HA ' HH22 ' A' ' 54' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.525 3.289 0 N-CA-C 113.484 0.92 . . . . 86.76 113.484 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -91.77 -174.45 42.78 Favored Glycine 0 N--CA 1.487 2.048 0 N-CA-C 122.884 3.913 . . . . 73.28 122.884 -171.653 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -81.25 139.74 20.67 Favored Glycine 0 C--O 1.266 2.117 0 N-CA-C 116.919 1.528 . . . . 66.98 116.919 173.909 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.42 -148.74 0.4 Allowed 'General case' 0 CA--C 1.581 2.164 0 C-N-CA 125.075 1.35 . . . . 69.29 113.343 -171.967 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.14 -158.22 21.67 Favored Glycine 0 CA--C 1.534 1.22 0 N-CA-C 115.75 1.06 . . . . 48.68 115.75 179.861 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -64.17 -38.86 92.58 Favored 'General case' 0 N--CA 1.424 -1.726 0 O-C-N 121.346 -1.09 . . . . 44.02 112.219 -179.98 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ARG . . . . . 0.416 ' NH1' ' HB2' ' A' ' 48' ' ' HIS . 26.7 ttp85 -59.88 -47.72 84.62 Favored 'General case' 0 C--O 1.262 1.754 0 C-N-CA 125.157 1.383 . . . . 72.2 109.959 -176.077 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -42.72 -48.55 6.05 Favored Glycine 0 CA--C 1.539 1.544 0 C-N-CA 125.943 1.735 . . . . 39.3 114.347 165.195 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 88.7 t90 -74.38 -41.68 60.58 Favored 'General case' 0 N--CA 1.428 -1.557 0 CA-C-O 123.607 1.67 . . . . 36.98 107.833 -174.939 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 55.3 t-105 -70.26 -35.37 73.74 Favored 'General case' 0 C--N 1.307 -1.261 0 CA-C-N 114.33 -1.304 . . . . 44.83 110.585 -177.184 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LEU . . . . . 0.443 HD21 ' O ' ' A' ' 50' ' ' GLY . 31.9 tp -65.78 -54.61 24.67 Favored 'General case' 0 CA--C 1.59 2.514 0 N-CA-C 113.703 1.001 . . . . 39.72 113.703 173.214 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.66 -43.91 65.84 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.142 -0.974 . . . . 35.52 110.514 178.247 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 72.4 m -65.1 -44.79 87.65 Favored 'General case' 0 CA--C 1.476 -1.895 0 N-CA-C 108.374 -0.973 . . . . 37.41 108.374 -173.808 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' THR . . . . . 0.684 HG23 ' CZ ' ' A' ' 39' ' ' PHE . 96.9 m -74.73 -36.39 62.64 Favored 'General case' 0 CA--C 1.515 -0.386 0 O-C-N 124.282 0.988 . . . . 35.99 111.129 -175.228 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ILE . . . . . 0.858 HD12 HG21 ' A' ' 55' ' ' VAL . 93.0 mt -62.09 -43.64 97.99 Favored 'Isoleucine or valine' 0 C--O 1.271 2.187 0 N-CA-C 114.038 1.125 . . . . 41.47 114.038 175.749 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.9 tp -56.95 -49.12 76.64 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 124.133 0.896 . . . . 40.5 110.253 176.933 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -48.24 82.41 Favored 'General case' 0 CA--C 1.473 -1.997 0 CA-C-N 114.917 -1.038 . . . . 45.62 112.082 179.811 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.5 mt -62.98 -42.31 99.8 Favored 'General case' 0 C--O 1.242 0.684 0 N-CA-C 106.87 -1.53 . . . . 34.03 106.87 -174.472 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 98.6 t -58.65 -44.17 89.11 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.407 0 N-CA-C 117.4 2.37 . . . . 36.38 117.4 170.286 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.54 -41.02 69.25 Favored 'General case' 0 C--N 1.357 0.913 0 CA-C-N 118.976 0.807 . . . . 39.02 111.061 174.855 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -68.02 -39.98 83.04 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 115.894 -0.594 . . . . 47.62 112.085 -177.202 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -155.4 112.63 2.25 Favored Pre-proline 0 C--N 1.348 0.511 0 O-C-N 121.622 -0.674 . . . . 52.86 109.85 176.677 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -55.29 142.26 79.44 Favored 'Trans proline' 0 CA--C 1.553 1.455 0 N-CA-C 108.66 -1.323 . . . . 38.84 108.66 178.864 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.3 t -170.09 177.46 4.25 Favored 'General case' 0 CA--C 1.495 -1.156 0 N-CA-C 113.831 1.048 . . . . 45.75 113.831 -172.918 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 41.4 p-80 -99.74 158.09 16.03 Favored 'General case' 0 C--O 1.184 -2.347 0 CA-C-N 115.487 -0.779 . . . . 46.58 111.907 179.759 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -26.94 -58.11 0.09 OUTLIER Glycine 0 N--CA 1.427 -1.932 0 N-CA-C 117.954 1.942 . . . . 43.31 117.954 165.998 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -61.64 -49.11 77.88 Favored 'General case' 0 C--O 1.248 0.997 0 N-CA-C 115.07 1.507 . . . . 59.87 115.07 -174.981 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLU . . . . . 0.521 ' OE2' ' HD2' ' A' ' 35' ' ' ARG . 15.9 tm-20 -66.56 -35.88 81.3 Favored 'General case' 0 CA--C 1.563 1.458 0 N-CA-C 109.058 -0.719 . . . . 50.9 109.058 -179.984 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.5 mt -59.48 -36.52 76.17 Favored 'General case' 0 CA--C 1.502 -0.887 0 C-N-CA 120.244 -0.583 . . . . 49.22 110.407 -177.422 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.19 -40.71 86.55 Favored 'General case' 0 CA--C 1.497 -1.09 0 C-N-CA 124.66 1.184 . . . . 52.35 110.848 -179.212 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -64.99 -43.96 90.86 Favored 'General case' 0 CA--C 1.492 -1.266 0 N-CA-C 112.302 0.482 . . . . 62.74 112.302 -178.924 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ARG . . . . . 0.521 ' HD2' ' OE2' ' A' ' 31' ' ' GLU . 11.6 mtp180 -72.11 -26.92 62.32 Favored 'General case' 0 CA--C 1.516 -0.332 0 O-C-N 124.209 0.943 . . . . 56.64 111.065 178.549 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LEU . . . . . 1.118 HD12 ' CD1' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -75.46 -21.37 58.15 Favored 'General case' 0 C--O 1.207 -1.167 0 N-CA-C 113.616 0.969 . . . . 64.63 113.616 174.763 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.06 -56.66 4.3 Favored 'General case' 0 C--O 1.261 1.663 0 N-CA-C 107.312 -1.366 . . . . 69.97 107.312 -173.648 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.07 -10.36 1.84 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 126.398 2.311 . . . . 79.86 114.257 170.634 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' PHE . . . . . 0.684 ' CZ ' HG23 ' A' ' 17' ' ' THR . 0.6 OUTLIER -68.63 -64.15 0.92 Allowed 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 123.121 0.568 . . . . 77.25 111.041 162.452 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 62.24 -128.67 42.18 Favored Glycine 0 C--O 1.269 2.287 0 CA-C-O 119.895 -0.391 . . . . 76.79 113.221 175.76 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ILE . . . . . 0.65 HG21 ' CG1' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -158.93 114.97 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.23 0 N-CA-C 121.621 3.934 . . . . 75.77 121.621 -170.851 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -96.37 17.83 15.18 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 115.223 -0.899 . . . . 72.95 111.295 160.021 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 22.0 mm -121.23 110.7 34.18 Favored Pre-proline 0 N--CA 1.486 1.356 0 C-N-CA 128.344 2.658 . . . . 54.71 111.005 -166.383 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -52.77 126.84 22.41 Favored 'Trans proline' 0 C--N 1.362 1.263 0 C-N-CA 121.396 1.397 . . . . 50.98 115.159 -176.898 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.57 -7.0 82.79 Favored Glycine 0 N--CA 1.442 -0.918 0 N-CA-C 118.281 2.072 . . . . 62.13 118.281 171.212 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ILE . . . . . 0.65 ' CG1' HG21 ' A' ' 41' ' ' ILE 0.433 2.6 pt -87.82 -50.25 13.84 Favored 'Isoleucine or valine' 0 C--O 1.263 1.793 0 N-CA-C 117.972 2.582 . . . . 70.98 117.972 -170.53 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLY . . . . . 0.426 ' O ' HG12 ' A' ' 41' ' ' ILE . . . 85.69 -104.1 2.81 Favored Glycine 0 C--O 1.27 2.399 0 N-CA-C 106.989 -2.445 . . . . 75.35 106.989 176.362 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 48' ' ' HIS . . . . . 0.605 ' HB3' ' CA ' ' A' ' 49' ' ' MET . 0.7 OUTLIER -93.56 -83.88 0.31 Allowed 'General case' 0 C--O 1.279 2.629 0 N-CA-C 100.528 -3.878 . . . . 87.92 100.528 -53.406 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 49' ' ' MET . . . . . 0.605 ' CA ' ' HB3' ' A' ' 48' ' ' HIS . 1.8 mmt -118.96 -80.3 0.61 Allowed 'General case' 0 CA--C 1.595 2.697 0 CA-C-N 119.82 1.191 . . . . 77.23 112.929 27.18 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' GLY . . . . . 0.443 ' O ' HD21 ' A' ' 14' ' ' LEU . . . 104.77 -179.39 24.25 Favored Glycine 1 N--CA 1.562 7.08 0 C-N-CA 115.767 -3.111 . . . . 68.73 107.616 152.656 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . 0.387 4.2 t-20 -11.5 70.44 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.464 0 N-CA-C 121.113 3.746 . . . . 61.27 121.113 -140.834 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ILE . . . . . 1.118 ' CD1' HD12 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -46.55 -64.6 0.22 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.155 0 CA-C-N 113.858 -1.519 . . . . 56.16 109.606 165.979 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -39.42 -44.33 1.35 Allowed 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 117.599 2.444 . . . . 55.0 117.599 175.614 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ARG . . . . . 0.522 HH22 ' HA ' ' A' ' 4' ' ' ARG . 28.9 ttm-85 -74.33 -39.9 62.53 Favored 'General case' 0 C--O 1.277 2.543 0 C-N-CA 117.692 -1.603 . . . . 51.06 112.232 -171.603 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 55' ' ' VAL . . . . . 0.858 HG21 HD12 ' A' ' 18' ' ' ILE 0.259 0.7 OUTLIER -76.93 -32.01 19.44 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 C-N-CA 117.763 -1.575 . . . . 46.61 110.538 175.256 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 21.0 mt -52.43 -57.0 11.23 Favored 'General case' 0 CA--C 1.55 0.942 0 N-CA-C 113.75 1.019 . . . . 39.36 113.75 159.834 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.05 -39.25 66.06 Favored 'General case' 0 C--O 1.303 3.902 0 CA-C-O 123.308 1.528 . . . . 36.07 113.794 177.414 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -62.25 -41.58 98.57 Favored 'General case' 0 C--O 1.203 -1.385 0 CA-C-N 113.695 -1.593 . . . . 46.33 113.113 176.38 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 33.7 mt -77.2 -35.81 55.36 Favored 'General case' 0 C--O 1.272 2.285 0 N-CA-C 107.186 -1.413 . . . . 38.0 107.186 -174.744 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' GLU . . . . . 0.535 ' OE2' HG21 ' A' ' 67' ' ' THR . 43.1 tt0 -58.12 -56.06 26.87 Favored 'General case' 0 CA--C 1.495 -1.143 0 N-CA-C 116.075 1.88 . . . . 48.78 116.075 167.796 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -49.95 -33.61 18.17 Favored 'General case' 0 N--CA 1.429 -1.522 0 N-CA-C 114.23 1.196 . . . . 65.22 114.23 172.603 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 66.0 m -87.32 -10.69 51.6 Favored 'General case' 0 C--O 1.245 0.846 0 CA-C-N 116.471 -0.331 . . . . 46.52 110.232 -172.133 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.47 17.86 44.09 Favored Glycine 0 C--O 1.265 2.047 0 O-C-N 124.248 0.967 . . . . 39.08 111.587 170.823 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -91.08 -10.65 41.28 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-O 122.019 0.914 . . . . 40.2 109.694 -178.252 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.6 mt -141.34 143.12 33.84 Favored 'General case' 0 C--O 1.266 1.957 0 N-CA-C 106.109 -1.811 . . . . 31.81 106.109 -177.19 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 93.0 p -110.88 171.4 7.49 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 124.732 1.27 . . . . 36.26 110.205 166.456 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' THR . . . . . 0.59 ' CG2' ' O ' ' A' 2028 ' ' HOH 0.29 0.4 OUTLIER -136.54 144.52 44.28 Favored 'General case' 0 C--O 1.184 -2.385 0 O-C-N 121.579 -0.7 . . . . 42.4 110.986 -170.671 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -150.33 133.09 15.91 Favored 'General case' 0 C--O 1.174 -2.881 0 N-CA-C 106.441 -1.689 . . . . 65.74 106.441 170.615 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 88.9 m95 -70.36 126.66 30.29 Favored 'General case' 0 C--O 1.19 -2.057 0 N-CA-C 114.346 1.239 . . . . 37.26 114.346 175.476 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -83.49 108.22 16.49 Favored 'General case' 0 CA--C 1.56 1.358 0 N-CA-C 106.673 -1.602 . . . . 47.54 106.673 163.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.0 p -96.64 0.03 49.23 Favored 'General case' 0 C--O 1.19 -2.053 0 N-CA-C 107.432 -1.322 . . . . 38.95 107.432 -175.098 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 68.0 p -78.56 -13.58 59.76 Favored 'General case' 0 C--O 1.294 3.435 0 CA-C-N 119.83 1.195 . . . . 41.5 111.59 -175.784 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.3 m -112.24 172.14 3.15 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.086 0 CA-C-N 114.89 -1.05 . . . . 38.98 108.298 179.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' SER . . . . . 0.402 ' HA ' ' HA ' ' A' ' 75' ' ' PRO . 11.5 t -140.09 117.06 8.14 Favored Pre-proline 0 N--CA 1.412 -2.368 0 CA-C-N 114.407 -1.27 . . . . 40.24 110.577 -176.621 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 75' ' ' PRO . . . . . 0.402 ' HA ' ' HA ' ' A' ' 74' ' ' SER . 96.3 Cg_endo -77.92 166.6 80.61 Favored 'Cis proline' 0 N--CA 1.42 -2.805 0 C-N-CA 122.139 -2.025 . . . . 37.03 108.795 5.459 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo -63.03 147.33 94.58 Favored 'Trans proline' 0 C--N 1.378 2.104 0 C-N-CA 122.459 2.106 . . . . 38.35 108.785 178.491 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -122.19 129.86 52.67 Favored 'General case' 0 C--O 1.217 -0.638 0 C-N-CA 125.015 1.326 . . . . 52.55 109.735 -179.14 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' LYS . . . . . 0.422 ' HE2' HG21 ' A' ' 67' ' ' THR . 69.5 tttt -80.46 110.96 16.42 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 125.345 1.458 . . . . 40.82 109.566 179.282 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 41.1 mm -86.71 121.93 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.486 0 CA-C-O 122.86 1.314 . . . . 39.02 113.772 -178.58 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -91.76 141.03 29.11 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.935 -1.103 . . . . 36.15 109.768 177.401 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 11.4 ttm-85 -141.76 142.52 33.25 Favored 'General case' 0 C--O 1.255 1.357 0 N-CA-C 108.133 -1.062 . . . . 51.69 108.133 -175.324 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 12.7 tt -71.08 139.05 20.56 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.663 0 C-N-CA 118.598 -1.241 . . . . 36.07 111.758 179.328 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 27.8 p -95.82 165.35 16.69 Favored Pre-proline 0 N--CA 1.408 -2.528 0 C-N-CA 123.378 0.671 . . . . 36.92 109.959 171.46 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -59.83 -31.58 94.13 Favored 'Trans proline' 0 C--N 1.41 3.797 0 C-N-CA 121.884 1.723 . . . . 37.02 111.509 177.362 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' GLN . . . . . 0.57 ' HG2' ' O ' ' A' 2003 ' ' HOH . 65.0 mm-40 -60.81 -34.47 74.57 Favored 'General case' 0 CA--C 1.565 1.526 0 N-CA-C 116.46 2.022 . . . . 49.29 116.46 169.275 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -75.91 -37.44 38.73 Favored Glycine 0 N--CA 1.399 -3.767 0 N-CA-C 105.231 -3.148 . . . . 36.08 105.231 -172.783 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 26.4 mttt -63.97 -36.0 82.53 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 114.616 1.339 . . . . 51.61 114.616 171.923 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 70.7 mt -66.34 -36.79 83.81 Favored 'General case' 0 N--CA 1.496 1.871 0 CA-C-O 121.998 0.904 . . . . 35.23 112.175 173.475 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -67.27 -37.73 83.93 Favored 'General case' 0 C--O 1.277 2.517 0 N-CA-C 108.224 -1.028 . . . . 41.4 108.224 176.417 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.0 tp -62.12 -42.4 99.2 Favored 'General case' 0 C--O 1.263 1.809 0 N-CA-C 117.57 2.433 . . . . 36.85 117.57 174.525 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 79.5 mtt-85 -59.93 -38.63 82.93 Favored 'General case' 0 C--O 1.192 -1.944 0 N-CA-C 110.387 -0.227 . . . . 42.22 110.387 172.482 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -60.57 -36.08 77.64 Favored 'General case' 0 C--O 1.192 -1.963 0 O-C-N 120.885 -1.134 . . . . 40.58 112.369 172.477 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.8 mt -71.54 -38.92 69.54 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.762 0 CA-C-N 119.541 1.064 . . . . 34.42 108.374 178.134 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 25.8 tp -63.12 -47.29 83.4 Favored 'General case' 0 N--CA 1.422 -1.869 0 N-CA-C 107.019 -1.474 . . . . 37.79 107.019 -178.267 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 -62.98 -38.77 92.45 Favored 'General case' 0 N--CA 1.432 -1.339 0 O-C-N 119.9 -1.75 . . . . 51.71 109.446 -175.553 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.2 m -66.81 -32.51 73.84 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 115.708 1.744 . . . . 32.68 115.708 177.486 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 90.3 mt -61.59 -42.52 98.98 Favored 'General case' 0 C--O 1.254 1.316 0 CA-C-O 118.911 -0.566 . . . . 36.34 109.772 172.357 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' GLU . . . . . 0.527 ' HG3' ' NH2' ' A' ' 102' ' ' ARG . 67.0 mt-10 -62.5 -41.94 99.16 Favored 'General case' 0 N--CA 1.482 1.153 0 O-C-N 124.301 1.001 . . . . 40.48 113.007 173.633 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -52.53 -49.93 63.86 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-O 121.788 0.804 . . . . 43.66 109.425 170.712 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 75.8 mtp -66.05 -43.78 86.48 Favored 'General case' 0 C--O 1.192 -1.948 0 N-CA-C 107.42 -1.326 . . . . 47.71 107.42 -172.525 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -64.51 -36.62 84.8 Favored 'General case' 0 N--CA 1.431 -1.397 0 O-C-N 123.681 0.613 . . . . 57.61 111.25 -175.945 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ARG . . . . . 0.527 ' NH2' ' HG3' ' A' ' 98' ' ' GLU . 31.5 ttm105 -68.79 -40.44 79.64 Favored 'General case' 0 C--O 1.196 -1.737 0 N-CA-C 107.859 -1.163 . . . . 54.32 107.859 179.548 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 18.3 tpt180 -63.65 -39.11 93.52 Favored 'General case' 0 CA--C 1.572 1.795 0 C-N-CA 118.35 -1.34 . . . . 61.51 112.666 178.554 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 47.8 mt -63.57 -40.21 88.19 Favored 'Isoleucine or valine' 0 C--O 1.249 1.034 0 N-CA-C 108.066 -1.087 . . . . 34.75 108.066 -179.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -71.82 -26.9 62.58 Favored 'General case' 0 CA--C 1.486 -1.503 0 C-N-CA 119.15 -1.02 . . . . 54.18 112.191 -178.192 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 80.4 p -71.36 -38.29 71.58 Favored 'General case' 0 C--O 1.179 -2.642 0 C-N-CA 118.569 -1.252 . . . . 47.52 108.833 176.018 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 27.7 mt -63.48 -49.42 73.67 Favored 'General case' 0 C--O 1.182 -2.478 0 N-CA-C 113.326 0.862 . . . . 48.2 113.326 172.59 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -47.07 -42.83 19.42 Favored 'General case' 0 C--O 1.201 -1.458 0 CA-C-O 118.163 -0.922 . . . . 56.04 110.154 177.961 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -77.34 -36.39 53.87 Favored 'General case' 0 CA--C 1.504 -0.797 0 CA-C-O 122.399 1.095 . . . . 52.5 108.925 -174.104 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 44.1 mtp180 -65.45 -36.07 82.79 Favored 'General case' 0 C--N 1.313 -1.017 0 C-N-CA 118.616 -1.233 . . . . 51.51 107.909 -175.577 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 79.1 mt -71.65 -40.31 70.46 Favored 'Isoleucine or valine' 0 C--O 1.246 0.909 0 CA-C-N 115.266 -0.879 . . . . 39.93 111.773 -177.325 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' LYS . . . . . 0.499 ' HE2' ' O ' ' A' 2036 ' ' HOH . 18.3 mttt -65.03 -39.55 93.53 Favored 'General case' 0 C--O 1.185 -2.312 0 N-CA-C 107.057 -1.46 . . . . 59.67 107.057 -179.261 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 91.8 mtm-85 -58.89 -40.62 85.01 Favored 'General case' 0 C--O 1.209 -1.067 0 N-CA-C 114.138 1.162 . . . . 68.09 114.138 176.624 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 13.3 m -79.21 -18.26 12.99 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.09 0 N-CA-C 114.353 1.242 . . . . 45.98 114.353 178.523 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 76.7 mt -80.32 -30.48 38.13 Favored 'General case' 0 C--O 1.192 -1.929 0 O-C-N 124.509 1.131 . . . . 51.79 113.11 172.513 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.2 -13.86 56.47 Favored 'General case' 0 C--O 1.223 -0.305 0 N-CA-C 106.323 -1.732 . . . . 59.03 106.323 169.492 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 . . . . . 0 N--CA 1.491 1.617 0 C-N-CA 123.456 0.703 . . . . 70.58 112.575 -177.568 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2000 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2003 ' ' HOH . . . . . 0.57 ' O ' ' HG2' ' A' ' 85' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 2004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2008 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2009 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2010 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2011 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2012 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2013 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2014 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2015 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2016 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2017 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2018 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2019 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2020 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2021 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2022 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2023 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2024 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2025 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2026 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2027 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2028 ' ' HOH . . . . . 0.59 ' O ' ' CG2' ' A' ' 67' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 2029 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2030 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2031 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2032 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2033 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2034 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2035 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2036 ' ' HOH . . . . . 0.499 ' O ' ' HE2' ' A' ' 112' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 2037 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2038 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2039 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2040 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.522 ' HA ' HH22 ' A' ' 54' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.525 3.289 0 N-CA-C 113.484 0.92 . . . . 86.760000000000005 113.484 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -91.77 -174.45 42.78 Favored Glycine 0 N--CA 1.487 2.048 0 N-CA-C 122.884 3.913 . . . . 73.280000000000001 122.884 -171.653 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -81.25 139.74 20.67 Favored Glycine 0 C--O 1.266 2.117 0 N-CA-C 116.919 1.528 . . . . 66.980000000000004 116.919 173.909 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.42 -148.74 0.4 Allowed 'General case' 0 CA--C 1.581 2.164 0 C-N-CA 125.075 1.35 . . . . 69.290000000000006 113.343 -171.967 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.14 -158.22 21.67 Favored Glycine 0 CA--C 1.534 1.22 0 N-CA-C 115.75 1.06 . . . . 48.68 115.75 179.861 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -64.17 -38.86 92.58 Favored 'General case' 0 N--CA 1.424 -1.726 0 O-C-N 121.346 -1.09 . . . . 44.020000000000003 112.219 -179.98 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.416 ' NH1' ' HB2' ' A' ' 48' ' ' HIS . 26.7 ttp85 -59.88 -47.72 84.62 Favored 'General case' 0 C--O 1.262 1.754 0 C-N-CA 125.157 1.383 . . . . 72.200000000000003 109.959 -176.077 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -42.72 -48.55 6.05 Favored Glycine 0 CA--C 1.539 1.544 0 C-N-CA 125.943 1.735 . . . . 39.299999999999997 114.347 165.195 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 88.7 t90 -74.38 -41.68 60.58 Favored 'General case' 0 N--CA 1.428 -1.557 0 CA-C-O 123.607 1.67 . . . . 36.979999999999997 107.833 -174.939 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 55.3 t-105 -70.26 -35.37 73.74 Favored 'General case' 0 C--N 1.307 -1.261 0 CA-C-N 114.33 -1.304 . . . . 44.829999999999998 110.585 -177.184 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.443 HD21 ' O ' ' A' ' 50' ' ' GLY . 31.9 tp -65.78 -54.61 24.67 Favored 'General case' 0 CA--C 1.59 2.514 0 N-CA-C 113.703 1.001 . . . . 39.719999999999999 113.703 173.214 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.66 -43.91 65.84 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.142 -0.974 . . . . 35.520000000000003 110.514 178.247 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 72.4 m -65.1 -44.79 87.65 Favored 'General case' 0 CA--C 1.476 -1.895 0 N-CA-C 108.374 -0.973 . . . . 37.409999999999997 108.374 -173.808 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' THR . . . . . 0.684 HG23 ' CZ ' ' A' ' 39' ' ' PHE . 96.9 m -74.73 -36.39 62.64 Favored 'General case' 0 CA--C 1.515 -0.386 0 O-C-N 124.282 0.988 . . . . 35.990000000000002 111.129 -175.228 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.858 HD12 HG21 ' A' ' 55' ' ' VAL . 93.0 mt -62.09 -43.64 97.99 Favored 'Isoleucine or valine' 0 C--O 1.271 2.187 0 N-CA-C 114.038 1.125 . . . . 41.469999999999999 114.038 175.749 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.9 tp -56.95 -49.12 76.64 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 124.133 0.896 . . . . 40.5 110.253 176.933 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -48.24 82.41 Favored 'General case' 0 CA--C 1.473 -1.997 0 CA-C-N 114.917 -1.038 . . . . 45.619999999999997 112.082 179.811 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.5 mt -62.98 -42.31 99.8 Favored 'General case' 0 C--O 1.242 0.684 0 N-CA-C 106.87 -1.53 . . . . 34.030000000000001 106.87 -174.472 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 98.6 t -58.65 -44.17 89.11 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.407 0 N-CA-C 117.4 2.37 . . . . 36.380000000000003 117.4 170.286 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.54 -41.02 69.25 Favored 'General case' 0 C--N 1.357 0.913 0 CA-C-N 118.976 0.807 . . . . 39.020000000000003 111.061 174.855 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -68.02 -39.98 83.04 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 115.894 -0.594 . . . . 47.619999999999997 112.085 -177.202 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -155.4 112.63 2.25 Favored Pre-proline 0 C--N 1.348 0.511 0 O-C-N 121.622 -0.674 . . . . 52.859999999999999 109.85 176.677 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -55.29 142.26 79.44 Favored 'Trans proline' 0 CA--C 1.553 1.455 0 N-CA-C 108.66 -1.323 . . . . 38.840000000000003 108.66 178.864 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.3 t -170.09 177.46 4.25 Favored 'General case' 0 CA--C 1.495 -1.156 0 N-CA-C 113.831 1.048 . . . . 45.75 113.831 -172.918 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 41.4 p-80 -99.74 158.09 16.03 Favored 'General case' 0 C--O 1.184 -2.347 0 CA-C-N 115.487 -0.779 . . . . 46.579999999999998 111.907 179.759 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -26.94 -58.11 0.09 OUTLIER Glycine 0 N--CA 1.427 -1.932 0 N-CA-C 117.954 1.942 . . . . 43.310000000000002 117.954 165.998 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -61.64 -49.11 77.88 Favored 'General case' 0 C--O 1.248 0.997 0 N-CA-C 115.07 1.507 . . . . 59.869999999999997 115.07 -174.981 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.521 ' OE2' ' HD2' ' A' ' 35' ' ' ARG . 15.9 tm-20 -66.56 -35.88 81.3 Favored 'General case' 0 CA--C 1.563 1.458 0 N-CA-C 109.058 -0.719 . . . . 50.899999999999999 109.058 -179.984 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.5 mt -59.48 -36.52 76.17 Favored 'General case' 0 CA--C 1.502 -0.887 0 C-N-CA 120.244 -0.583 . . . . 49.219999999999999 110.407 -177.422 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.19 -40.71 86.55 Favored 'General case' 0 CA--C 1.497 -1.09 0 C-N-CA 124.66 1.184 . . . . 52.350000000000001 110.848 -179.212 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -64.99 -43.96 90.86 Favored 'General case' 0 CA--C 1.492 -1.266 0 N-CA-C 112.302 0.482 . . . . 62.740000000000002 112.302 -178.924 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.521 ' HD2' ' OE2' ' A' ' 31' ' ' GLU . 11.6 mtp180 -72.11 -26.92 62.32 Favored 'General case' 0 CA--C 1.516 -0.332 0 O-C-N 124.209 0.943 . . . . 56.640000000000001 111.065 178.549 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.118 HD12 ' CD1' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -75.46 -21.37 58.15 Favored 'General case' 0 C--O 1.207 -1.167 0 N-CA-C 113.616 0.969 . . . . 64.629999999999995 113.616 174.763 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.06 -56.66 4.3 Favored 'General case' 0 C--O 1.261 1.663 0 N-CA-C 107.312 -1.366 . . . . 69.969999999999999 107.312 -173.648 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.07 -10.36 1.84 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 126.398 2.311 . . . . 79.859999999999999 114.257 170.634 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.684 ' CZ ' HG23 ' A' ' 17' ' ' THR . 0.6 OUTLIER -68.63 -64.15 0.92 Allowed 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 123.121 0.568 . . . . 77.25 111.041 162.452 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 62.24 -128.67 42.18 Favored Glycine 0 C--O 1.269 2.287 0 CA-C-O 119.895 -0.391 . . . . 76.790000000000006 113.221 175.76 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.65 HG21 ' CG1' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -158.93 114.97 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.23 0 N-CA-C 121.621 3.934 . . . . 75.769999999999996 121.621 -170.851 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -96.37 17.83 15.18 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 115.223 -0.899 . . . . 72.950000000000003 111.295 160.021 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 22.0 mm -121.23 110.7 34.18 Favored Pre-proline 0 N--CA 1.486 1.356 0 C-N-CA 128.344 2.658 . . . . 54.710000000000001 111.005 -166.383 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -52.77 126.84 22.41 Favored 'Trans proline' 0 C--N 1.362 1.263 0 C-N-CA 121.396 1.397 . . . . 50.979999999999997 115.159 -176.898 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.57 -7.0 82.79 Favored Glycine 0 N--CA 1.442 -0.918 0 N-CA-C 118.281 2.072 . . . . 62.130000000000003 118.281 171.212 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.65 ' CG1' HG21 ' A' ' 41' ' ' ILE 0.433 2.6 pt -87.82 -50.25 13.84 Favored 'Isoleucine or valine' 0 C--O 1.263 1.793 0 N-CA-C 117.972 2.582 . . . . 70.980000000000004 117.972 -170.53 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.426 ' O ' HG12 ' A' ' 41' ' ' ILE . . . 85.69 -104.1 2.81 Favored Glycine 0 C--O 1.27 2.399 0 N-CA-C 106.989 -2.445 . . . . 75.349999999999994 106.989 176.362 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.605 ' HB3' ' CA ' ' A' ' 49' ' ' MET . 0.7 OUTLIER -93.56 -83.88 0.31 Allowed 'General case' 0 C--O 1.279 2.629 0 N-CA-C 100.528 -3.878 . . . . 87.920000000000002 100.528 -53.406 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' MET . . . . . 0.605 ' CA ' ' HB3' ' A' ' 48' ' ' HIS . 1.8 mmt -118.96 -80.3 0.61 Allowed 'General case' 0 CA--C 1.595 2.697 0 CA-C-N 119.82 1.191 . . . . 77.230000000000004 112.929 27.18 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.443 ' O ' HD21 ' A' ' 14' ' ' LEU . . . 104.77 -179.39 24.25 Favored Glycine 1 N--CA 1.562 7.08 0 C-N-CA 115.767 -3.111 . . . . 68.730000000000004 107.616 152.656 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . 0.387 4.2 t-20 -11.5 70.44 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.464 0 N-CA-C 121.113 3.746 . . . . 61.270000000000003 121.113 -140.834 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ILE . . . . . 1.118 ' CD1' HD12 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -46.55 -64.6 0.22 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.155 0 CA-C-N 113.858 -1.519 . . . . 56.159999999999997 109.606 165.979 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -39.42 -44.33 1.35 Allowed 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 117.599 2.444 . . . . 55.0 117.599 175.614 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.522 HH22 ' HA ' ' A' ' 4' ' ' ARG . 28.9 ttm-85 -74.33 -39.9 62.53 Favored 'General case' 0 C--O 1.277 2.543 0 C-N-CA 117.692 -1.603 . . . . 51.060000000000002 112.232 -171.603 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.858 HG21 HD12 ' A' ' 18' ' ' ILE 0.259 0.7 OUTLIER -76.93 -32.01 19.44 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 C-N-CA 117.763 -1.575 . . . . 46.609999999999999 110.538 175.256 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 21.0 mt -52.43 -57.0 11.23 Favored 'General case' 0 CA--C 1.55 0.942 0 N-CA-C 113.75 1.019 . . . . 39.359999999999999 113.75 159.834 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.05 -39.25 66.06 Favored 'General case' 0 C--O 1.303 3.902 0 CA-C-O 123.308 1.528 . . . . 36.07 113.794 177.414 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -62.25 -41.58 98.57 Favored 'General case' 0 C--O 1.203 -1.385 0 CA-C-N 113.695 -1.593 . . . . 46.329999999999998 113.113 176.38 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 33.7 mt -77.2 -35.81 55.36 Favored 'General case' 0 C--O 1.272 2.285 0 N-CA-C 107.186 -1.413 . . . . 38.0 107.186 -174.744 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.535 ' OE2' HG21 ' A' ' 67' ' ' THR . 43.1 tt0 -58.12 -56.06 26.87 Favored 'General case' 0 CA--C 1.495 -1.143 0 N-CA-C 116.075 1.88 . . . . 48.780000000000001 116.075 167.796 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -49.95 -33.61 18.17 Favored 'General case' 0 N--CA 1.429 -1.522 0 N-CA-C 114.23 1.196 . . . . 65.219999999999999 114.23 172.603 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 66.0 m -87.32 -10.69 51.6 Favored 'General case' 0 C--O 1.245 0.846 0 CA-C-N 116.471 -0.331 . . . . 46.520000000000003 110.232 -172.133 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.47 17.86 44.09 Favored Glycine 0 C--O 1.265 2.047 0 O-C-N 124.248 0.967 . . . . 39.079999999999998 111.587 170.823 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -91.08 -10.65 41.28 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-O 122.019 0.914 . . . . 40.200000000000003 109.694 -178.252 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.6 mt -141.34 143.12 33.84 Favored 'General case' 0 C--O 1.266 1.957 0 N-CA-C 106.109 -1.811 . . . . 31.809999999999999 106.109 -177.19 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 93.0 p -110.88 171.4 7.49 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 124.732 1.27 . . . . 36.259999999999998 110.205 166.456 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' THR . . . . . 0.59 ' CG2' ' O ' ' A' 2028 ' ' HOH 0.29 0.4 OUTLIER -136.54 144.52 44.28 Favored 'General case' 0 C--O 1.184 -2.385 0 O-C-N 121.579 -0.7 . . . . 42.399999999999999 110.986 -170.671 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -150.33 133.09 15.91 Favored 'General case' 0 C--O 1.174 -2.881 0 N-CA-C 106.441 -1.689 . . . . 65.739999999999995 106.441 170.615 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 88.9 m95 -70.36 126.66 30.29 Favored 'General case' 0 C--O 1.19 -2.057 0 N-CA-C 114.346 1.239 . . . . 37.259999999999998 114.346 175.476 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -83.49 108.22 16.49 Favored 'General case' 0 CA--C 1.56 1.358 0 N-CA-C 106.673 -1.602 . . . . 47.539999999999999 106.673 163.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.0 p -96.64 0.03 49.23 Favored 'General case' 0 C--O 1.19 -2.053 0 N-CA-C 107.432 -1.322 . . . . 38.950000000000003 107.432 -175.098 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 68.0 p -78.56 -13.58 59.76 Favored 'General case' 0 C--O 1.294 3.435 0 CA-C-N 119.83 1.195 . . . . 41.5 111.59 -175.784 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.3 m -112.24 172.14 3.15 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.086 0 CA-C-N 114.89 -1.05 . . . . 38.979999999999997 108.298 179.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' SER . . . . . 0.402 ' HA ' ' HA ' ' A' ' 75' ' ' PRO . 11.5 t -140.09 117.06 8.14 Favored Pre-proline 0 N--CA 1.412 -2.368 0 CA-C-N 114.407 -1.27 . . . . 40.240000000000002 110.577 -176.621 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.402 ' HA ' ' HA ' ' A' ' 74' ' ' SER . 96.3 Cg_endo -77.92 166.6 80.61 Favored 'Cis proline' 0 N--CA 1.42 -2.805 0 C-N-CA 122.139 -2.025 . . . . 37.030000000000001 108.795 5.459 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo -63.03 147.33 94.58 Favored 'Trans proline' 0 C--N 1.378 2.104 0 C-N-CA 122.459 2.106 . . . . 38.350000000000001 108.785 178.491 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -122.19 129.86 52.67 Favored 'General case' 0 C--O 1.217 -0.638 0 C-N-CA 125.015 1.326 . . . . 52.549999999999997 109.735 -179.14 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.422 ' HE2' HG21 ' A' ' 67' ' ' THR . 69.5 tttt -80.46 110.96 16.42 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 125.345 1.458 . . . . 40.82 109.566 179.282 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 41.1 mm -86.71 121.93 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.486 0 CA-C-O 122.86 1.314 . . . . 39.020000000000003 113.772 -178.58 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -91.76 141.03 29.11 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.935 -1.103 . . . . 36.149999999999999 109.768 177.401 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 11.4 ttm-85 -141.76 142.52 33.25 Favored 'General case' 0 C--O 1.255 1.357 0 N-CA-C 108.133 -1.062 . . . . 51.689999999999998 108.133 -175.324 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 12.7 tt -71.08 139.05 20.56 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.663 0 C-N-CA 118.598 -1.241 . . . . 36.07 111.758 179.328 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 27.8 p -95.82 165.35 16.69 Favored Pre-proline 0 N--CA 1.408 -2.528 0 C-N-CA 123.378 0.671 . . . . 36.920000000000002 109.959 171.46 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -59.83 -31.58 94.13 Favored 'Trans proline' 0 C--N 1.41 3.797 0 C-N-CA 121.884 1.723 . . . . 37.020000000000003 111.509 177.362 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.57 ' HG2' ' O ' ' A' 2003 ' ' HOH . 65.0 mm-40 -60.81 -34.47 74.57 Favored 'General case' 0 CA--C 1.565 1.526 0 N-CA-C 116.46 2.022 . . . . 49.289999999999999 116.46 169.275 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -75.91 -37.44 38.73 Favored Glycine 0 N--CA 1.399 -3.767 0 N-CA-C 105.231 -3.148 . . . . 36.079999999999998 105.231 -172.783 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 26.4 mttt -63.97 -36.0 82.53 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 114.616 1.339 . . . . 51.609999999999999 114.616 171.923 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 70.7 mt -66.34 -36.79 83.81 Favored 'General case' 0 N--CA 1.496 1.871 0 CA-C-O 121.998 0.904 . . . . 35.229999999999997 112.175 173.475 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -67.27 -37.73 83.93 Favored 'General case' 0 C--O 1.277 2.517 0 N-CA-C 108.224 -1.028 . . . . 41.399999999999999 108.224 176.417 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.0 tp -62.12 -42.4 99.2 Favored 'General case' 0 C--O 1.263 1.809 0 N-CA-C 117.57 2.433 . . . . 36.850000000000001 117.57 174.525 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 79.5 mtt-85 -59.93 -38.63 82.93 Favored 'General case' 0 C--O 1.192 -1.944 0 N-CA-C 110.387 -0.227 . . . . 42.219999999999999 110.387 172.482 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -60.57 -36.08 77.64 Favored 'General case' 0 C--O 1.192 -1.963 0 O-C-N 120.885 -1.134 . . . . 40.579999999999998 112.369 172.477 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.8 mt -71.54 -38.92 69.54 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.762 0 CA-C-N 119.541 1.064 . . . . 34.420000000000002 108.374 178.134 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 25.8 tp -63.12 -47.29 83.4 Favored 'General case' 0 N--CA 1.422 -1.869 0 N-CA-C 107.019 -1.474 . . . . 37.789999999999999 107.019 -178.267 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 -62.98 -38.77 92.45 Favored 'General case' 0 N--CA 1.432 -1.339 0 O-C-N 119.9 -1.75 . . . . 51.710000000000001 109.446 -175.553 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.2 m -66.81 -32.51 73.84 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 115.708 1.744 . . . . 32.68 115.708 177.486 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 90.3 mt -61.59 -42.52 98.98 Favored 'General case' 0 C--O 1.254 1.316 0 CA-C-O 118.911 -0.566 . . . . 36.340000000000003 109.772 172.357 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.527 ' HG3' ' NH2' ' A' ' 102' ' ' ARG . 67.0 mt-10 -62.5 -41.94 99.16 Favored 'General case' 0 N--CA 1.482 1.153 0 O-C-N 124.301 1.001 . . . . 40.479999999999997 113.007 173.633 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -52.53 -49.93 63.86 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-O 121.788 0.804 . . . . 43.659999999999997 109.425 170.712 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 75.8 mtp -66.05 -43.78 86.48 Favored 'General case' 0 C--O 1.192 -1.948 0 N-CA-C 107.42 -1.326 . . . . 47.710000000000001 107.42 -172.525 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -64.51 -36.62 84.8 Favored 'General case' 0 N--CA 1.431 -1.397 0 O-C-N 123.681 0.613 . . . . 57.609999999999999 111.25 -175.945 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.527 ' NH2' ' HG3' ' A' ' 98' ' ' GLU . 31.5 ttm105 -68.79 -40.44 79.64 Favored 'General case' 0 C--O 1.196 -1.737 0 N-CA-C 107.859 -1.163 . . . . 54.32 107.859 179.548 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 18.3 tpt180 -63.65 -39.11 93.52 Favored 'General case' 0 CA--C 1.572 1.795 0 C-N-CA 118.35 -1.34 . . . . 61.509999999999998 112.666 178.554 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 47.8 mt -63.57 -40.21 88.19 Favored 'Isoleucine or valine' 0 C--O 1.249 1.034 0 N-CA-C 108.066 -1.087 . . . . 34.75 108.066 -179.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -71.82 -26.9 62.58 Favored 'General case' 0 CA--C 1.486 -1.503 0 C-N-CA 119.15 -1.02 . . . . 54.18 112.191 -178.192 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 80.4 p -71.36 -38.29 71.58 Favored 'General case' 0 C--O 1.179 -2.642 0 C-N-CA 118.569 -1.252 . . . . 47.520000000000003 108.833 176.018 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 27.7 mt -63.48 -49.42 73.67 Favored 'General case' 0 C--O 1.182 -2.478 0 N-CA-C 113.326 0.862 . . . . 48.200000000000003 113.326 172.59 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -47.07 -42.83 19.42 Favored 'General case' 0 C--O 1.201 -1.458 0 CA-C-O 118.163 -0.922 . . . . 56.039999999999999 110.154 177.961 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -77.34 -36.39 53.87 Favored 'General case' 0 CA--C 1.504 -0.797 0 CA-C-O 122.399 1.095 . . . . 52.5 108.925 -174.104 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 44.1 mtp180 -65.45 -36.07 82.79 Favored 'General case' 0 C--N 1.313 -1.017 0 C-N-CA 118.616 -1.233 . . . . 51.509999999999998 107.909 -175.577 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 79.1 mt -71.65 -40.31 70.46 Favored 'Isoleucine or valine' 0 C--O 1.246 0.909 0 CA-C-N 115.266 -0.879 . . . . 39.93 111.773 -177.325 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.499 ' HE2' ' O ' ' A' 2036 ' ' HOH . 18.3 mttt -65.03 -39.55 93.53 Favored 'General case' 0 C--O 1.185 -2.312 0 N-CA-C 107.057 -1.46 . . . . 59.670000000000002 107.057 -179.261 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 91.8 mtm-85 -58.89 -40.62 85.01 Favored 'General case' 0 C--O 1.209 -1.067 0 N-CA-C 114.138 1.162 . . . . 68.090000000000003 114.138 176.624 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 13.3 m -79.21 -18.26 12.99 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.09 0 N-CA-C 114.353 1.242 . . . . 45.979999999999997 114.353 178.523 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 76.7 mt -80.32 -30.48 38.13 Favored 'General case' 0 C--O 1.192 -1.929 0 O-C-N 124.509 1.131 . . . . 51.789999999999999 113.11 172.513 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.2 -13.86 56.47 Favored 'General case' 0 C--O 1.223 -0.305 0 N-CA-C 106.323 -1.732 . . . . 59.030000000000001 106.323 169.492 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 . . . . . 0 N--CA 1.491 1.617 0 C-N-CA 123.456 0.703 . . . . 70.579999999999998 112.575 -177.568 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2000 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2003 ' ' HOH . . . . . 0.57 ' O ' ' HG2' ' A' ' 85' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 2004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2008 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2009 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2010 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2011 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2012 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2013 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2014 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2015 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2016 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2017 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2018 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2019 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2020 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2021 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2022 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2023 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2024 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2025 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2026 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2027 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2028 ' ' HOH . . . . . 0.59 ' O ' ' CG2' ' A' ' 67' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 2029 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2030 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2031 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2032 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2033 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2034 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2035 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2036 ' ' HOH . . . . . 0.499 ' O ' ' HE2' ' A' ' 112' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 2037 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2038 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2039 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2040 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_