data_4qy9_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 4qy9 _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 540' ' ' HOH . 80.0 tttt . . . . . 0 C--O 1.251 1.137 0 N-CA-C 112.938 0.718 . . . . 43.770000000000003 112.938 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 42.8 t -99.04 113.07 32.82 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 CA-C-N 115.426 -0.806 . . . . 36.700000000000003 109.653 170.241 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -83.07 153.75 24.74 Favored 'General case' 0 CA--C 1.484 -1.574 0 N-CA-C 107.28 -1.378 . . . . 35.299999999999997 107.28 -171.363 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.24 159.91 37.75 Favored Glycine 0 C--O 1.209 -1.434 0 N-CA-C 107.451 -2.26 . . . . 31.02 107.451 165.05 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 69.3 ttp85 -51.3 -59.04 4.66 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 113.579 0.955 . . . . 43.340000000000003 113.579 -179.786 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 87.1 m -70.3 -37.35 74.77 Favored 'General case' 0 CA--C 1.5 -0.98 0 C-N-CA 124.819 1.248 . . . . 35.490000000000002 110.36 -177.129 -64.601 -56.559 -68.908 100.938 2.021 105.656 -56.697 -46.62 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 70.9 tt0 -55.31 -48.72 73.7 Favored 'General case' 0 C--O 1.211 -0.962 0 N-CA-C 108.729 -0.841 . . . . 43.130000000000003 108.729 171.661 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.5 tp -66.92 -45.26 78.46 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-O 121.141 0.496 . . . . 32.509999999999998 109.692 -179.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.37 -43.99 62.0 Favored 'General case' 0 CA--C 1.491 -1.293 0 O-C-N 121.159 -0.963 . . . . 32.460000000000001 111.966 176.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.0 -31.94 68.6 Favored 'General case' 0 CA--C 1.509 -0.624 0 C-N-CA 119.192 -1.003 . . . . 38.710000000000001 112.419 -175.311 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.3 -40.61 64.38 Favored 'General case' 0 C--O 1.259 1.554 0 CA-C-O 122.217 1.008 . . . . 31.27 109.108 -177.629 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 25.4 mtt -61.2 -43.98 98.01 Favored 'General case' 0 N--CA 1.435 -1.201 0 CA-C-N 112.905 -1.952 . . . . 34.030000000000001 112.425 175.954 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -63.91 -48.56 76.13 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 124.909 1.381 . . . . 58.890000000000001 110.49 176.149 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -52.19 -38.19 57.05 Favored 'General case' 0 C--O 1.217 -0.653 0 N-CA-C 113.194 0.813 . . . . 45.340000000000003 113.194 175.415 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' HIS . . . . . 0.445 ' CE1' ' OG1' ' A' ' 89' ' ' THR . 48.7 m-70 -88.06 0.2 56.26 Favored 'General case' 0 CA--C 1.56 1.364 0 C-N-CA 123.334 0.654 . . . . 39.920000000000002 111.452 -171.969 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.56 18.54 23.09 Favored Glycine 0 CA--C 1.539 1.592 0 N-CA-C 117.94 1.936 . . . . 43.579999999999998 117.94 169.152 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 58.3 mt -89.21 -24.32 22.16 Favored 'General case' 0 C--O 1.249 1.03 0 N-CA-C 116.646 2.091 . . . . 44.670000000000002 116.646 -177.552 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -57.1 112.4 1.34 Allowed 'General case' 0 C--O 1.238 0.449 0 CA-C-O 121.557 0.694 . . . . 51.409999999999997 109.995 175.787 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 62.09 29.28 17.56 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 115.595 1.702 . . . . 68.159999999999997 115.595 -174.439 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -72.52 130.76 41.38 Favored 'General case' 0 CA--C 1.558 1.253 0 N-CA-C 107.802 -1.184 . . . . 39.57 107.802 174.172 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ARG . . . . . 1.006 ' NH2' ' O3 ' ' A' ' 404' ' ' NO3 . 12.7 mmm-85 38.78 33.39 0.07 Allowed 'General case' 0 N--CA 1.485 1.301 0 CA-C-O 122.534 1.159 . . . . 42.469999999999999 113.971 -162.847 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.86 6.2 85.48 Favored Glycine 0 N--CA 1.436 -1.323 0 N-CA-C 119.278 2.471 . . . . 36.140000000000001 119.278 176.263 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -95.28 109.11 21.28 Favored 'General case' 0 CA--C 1.491 -1.319 0 CA-C-N 118.133 0.967 . . . . 31.48 109.155 -179.328 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.5 p -50.67 146.82 5.26 Favored 'General case' 0 C--N 1.319 -0.72 0 O-C-N 124.467 1.104 . . . . 36.380000000000003 113.46 174.704 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 30.9 tp -43.71 -45.58 7.12 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 115.137 -0.938 . . . . 32.109999999999999 111.514 -179.157 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.06 -30.18 53.73 Favored Glycine 0 CA--C 1.551 2.324 0 N-CA-C 115.775 1.07 . . . . 27.030000000000001 115.775 179.874 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -64.7 -42.07 95.57 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 117.139 0.469 . . . . 32.590000000000003 112.046 176.13 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -66.12 -41.23 90.81 Favored 'General case' 0 N--CA 1.438 -1.039 0 N-CA-C 113.749 1.018 . . . . 27.739999999999998 113.749 176.589 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.8 t -68.37 -46.15 81.16 Favored 'Isoleucine or valine' 0 C--O 1.246 0.88 0 N-CA-C 109.509 -0.552 . . . . 27.739999999999998 109.509 176.382 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 41.9 t -60.5 -45.3 94.3 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 119.078 -1.049 . . . . 29.91 108.436 -179.918 178.009 -86.901 -94.028 103.512 2.072 103.432 -70.503 -62.012 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.92 -41.8 75.14 Favored 'General case' 0 C--O 1.25 1.117 0 O-C-N 120.648 -1.283 . . . . 27.960000000000001 111.425 178.834 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.71 -38.28 80.12 Favored 'General case' 0 CA--C 1.489 -1.372 0 CA-C-O 121.315 0.579 . . . . 26.84 111.708 -172.052 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.9 tptt -57.18 -48.56 78.44 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-N 114.821 -1.082 . . . . 32.560000000000002 110.421 173.204 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -85.71 -17.55 35.63 Favored 'General case' 0 CA--C 1.489 -1.39 0 CA-C-O 118.262 -0.875 . . . . 33.920000000000002 112.328 -168.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -87.91 -43.67 11.62 Favored 'General case' 0 CA--C 1.534 0.355 0 O-C-N 124.444 1.09 . . . . 32.130000000000003 110.597 177.729 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 96.9 p -131.12 -3.55 3.94 Favored 'General case' 0 CA--C 1.498 -1.025 0 N-CA-C 116.016 1.858 . . . . 30.039999999999999 116.016 -171.341 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.2 t30 52.17 33.06 11.57 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 115.448 1.647 . . . . 44.030000000000001 115.448 -165.195 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 77.21 12.2 2.2 Favored 'General case' 0 CA--C 1.566 1.581 0 C-N-CA 124.023 0.929 . . . . 33.979999999999997 111.912 173.252 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -99.5 117.59 34.23 Favored 'General case' 0 C--O 1.262 1.758 0 C-N-CA 122.749 0.42 . . . . 34.210000000000001 110.935 -177.23 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 80.6 p -65.09 -19.21 65.88 Favored 'General case' 0 C--O 1.215 -0.733 0 CA-C-N 115.567 -0.742 . . . . 32.899999999999999 112.49 -177.091 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -95.86 4.69 52.6 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 113.619 0.97 . . . . 37.869999999999997 113.619 -174.579 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.8 133.04 49.31 Favored 'General case' 0 C--O 1.255 1.36 0 CA-C-O 121.486 0.66 . . . . 29.899999999999999 111.106 -175.155 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 69.5 p -137.83 136.97 37.68 Favored 'General case' 0 C--O 1.2 -1.502 0 N-CA-C 106.587 -1.634 . . . . 32.380000000000003 106.587 178.474 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -146.73 131.38 17.86 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 123.753 0.821 . . . . 41.960000000000001 110.886 178.75 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -79.15 141.61 37.1 Favored 'General case' 0 CA--C 1.479 -1.765 0 N-CA-C 106.033 -1.84 . . . . 54.740000000000002 106.033 -176.785 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -92.12 164.04 13.73 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 106.255 -1.758 . . . . 39.920000000000002 106.255 173.036 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 81.6 p -64.27 -31.26 72.39 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 113.658 0.984 . . . . 49.579999999999998 113.658 175.126 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 47.2 p-10 -71.41 0.03 9.18 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 119.133 -1.027 . . . . 47.560000000000002 113.519 179.648 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 91.94 -11.14 72.91 Favored Glycine 0 CA--C 1.532 1.135 0 N-CA-C 116.575 1.39 . . . . 41.909999999999997 116.575 -176.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.5 p -74.18 175.34 7.62 Favored 'General case' 0 C--O 1.222 -0.381 0 N-CA-C 106.561 -1.644 . . . . 35.600000000000001 106.561 172.55 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 59.4 m -133.57 152.54 51.92 Favored 'General case' 0 C--O 1.259 1.569 0 N-CA-C 107.516 -1.291 . . . . 31.989999999999998 107.516 174.514 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -101.61 133.43 46.31 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.101 -1.408 . . . . 37.520000000000003 109.675 174.128 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -123.25 127.93 49.27 Favored 'General case' 0 C--O 1.222 -0.364 0 N-CA-C 114.137 1.162 . . . . 30.600000000000001 114.137 -174.508 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 97.7 -169.38 24.46 Favored Glycine 0 N--CA 1.421 -2.363 0 CA-C-N 114.123 -1.399 . . . . 28.850000000000001 116.484 160.527 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -53.92 -31.25 20.59 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.136 0 N-CA-C 114.197 1.184 . . . . 33.310000000000002 114.197 -179.693 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.6 mt -119.96 19.41 12.36 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 113.469 0.915 . . . . 34.810000000000002 113.469 178.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 49.23 53.89 11.88 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 114.251 1.204 . . . . 27.82 114.251 168.183 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 82.6 mt -84.58 132.64 31.12 Favored 'Isoleucine or valine' 0 C--O 1.267 1.983 0 CA-C-N 114.14 -1.391 . . . . 35.259999999999998 108.724 -174.267 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -95.14 132.04 40.5 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 112.194 -2.276 . . . . 35.890000000000001 109.469 -161.237 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 72.5 p -68.62 -8.85 45.78 Favored 'General case' 0 CA--C 1.573 1.838 0 C-N-CA 126.228 1.811 . . . . 37.549999999999997 115.081 173.903 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -64.45 -33.65 76.36 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-O 118.567 -0.73 . . . . 80.980000000000004 110.342 173.935 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 8.0 m-90 -131.87 -22.82 2.32 Favored 'General case' 0 CA--C 1.497 -1.089 0 N-CA-C 116.898 2.185 . . . . 79.700000000000003 116.898 -178.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 80.9 m95 -109.93 -30.44 7.81 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 117.826 2.528 . . . . 34.710000000000001 117.826 -161.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.9 p -141.33 163.45 32.92 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 109.289 -0.634 . . . . 32.460000000000001 109.289 -178.621 58.101 89.005 88.361 101.824 2.037 107.695 -57.505 -68.228 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -101.65 123.63 45.97 Favored 'General case' 0 C--O 1.265 1.897 0 N-CA-C 114.034 1.124 . . . . 54.439999999999998 114.034 174.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 53.5 p30 -115.58 6.98 14.73 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 114.113 1.153 . . . . 32.729999999999997 114.113 177.002 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 70.44 10.23 66.13 Favored Glycine 0 C--O 1.243 0.698 0 N-CA-C 115.753 1.061 . . . . 39.630000000000003 115.753 176.543 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -151.2 24.66 0.72 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 114.775 1.398 . . . . 40.25 114.775 177.417 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.9 m -116.1 80.88 9.7 Favored Pre-proline 0 C--O 1.215 -0.734 0 N-CA-C 105.552 -2.018 . . . . 44.869999999999997 105.552 177.757 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -50.75 135.52 42.18 Favored 'Trans proline' 0 CA--C 1.501 -1.138 0 C-N-CA 124.01 3.14 . . . . 65.780000000000001 112.791 -176.11 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 61.59 40.54 98.87 Favored Glycine 0 CA--C 1.509 -0.331 0 O-C-N 124.564 1.165 . . . . 60.560000000000002 114.359 169.285 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 51.7 p -120.26 176.36 5.5 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 124.966 1.307 . . . . 58.43 108.919 -175.139 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 28.1 mmm-85 -112.46 171.77 7.32 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.769 0.795 . . . . 102.70999999999999 110.718 -179.538 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 -139.23 58.78 1.62 Allowed 'General case' 0 CA--C 1.507 -0.675 0 CA-C-N 114.682 -1.144 . . . . 44.409999999999997 108.444 -179.738 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 90.9 mt -65.08 -18.99 65.77 Favored 'General case' 0 C--O 1.209 -1.039 0 N-CA-C 115.157 1.54 . . . . 42.109999999999999 115.157 -171.84 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 78.7 m -93.13 2.8 56.54 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 120.444 1.475 . . . . 33.740000000000002 110.074 174.903 -60.667 171.612 73.046 105.692 2.061 106.159 58.537 -176.821 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 46.0 58.52 4.35 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.697 0.761 . . . . 41.020000000000003 112.952 -179.929 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.6 pt -142.31 149.95 53.37 Favored Pre-proline 0 CA--C 1.549 0.935 0 CA-C-N 113.966 -1.47 . . . . 48.460000000000001 111.65 176.469 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -64.2 140.75 72.72 Favored 'Trans proline' 0 C--O 1.254 1.281 0 C-N-CA 117.677 -1.082 . . . . 36.090000000000003 110.822 157.582 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 90.2 m -63.63 -30.39 71.5 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-N 114.518 -1.219 . . . . 30.510000000000002 111.509 -176.287 -68.228 -57.505 88.361 107.695 2.037 101.824 89.005 58.101 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 88.1 p -57.23 -28.54 63.0 Favored 'General case' 0 CA--C 1.501 -0.907 0 CA-C-O 117.485 -1.245 . . . . 36.289999999999999 112.544 174.271 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.67 -19.45 64.91 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-N 119.583 1.083 . . . . 38.549999999999997 112.585 177.336 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 59.9 mt -85.06 1.51 47.4 Favored 'General case' 0 N--CA 1.436 -1.174 0 CA-C-N 115.504 -0.771 . . . . 39.640000000000001 109.635 -176.559 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 84.5 mt -110.99 -1.02 16.49 Favored 'General case' 0 N--CA 1.437 -1.095 0 N-CA-C 113.93 1.085 . . . . 37.170000000000002 113.93 -174.55 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.3 t -66.69 159.74 27.11 Favored 'General case' 0 N--CA 1.436 -1.153 0 C-N-CA 124.347 1.059 . . . . 35.649999999999999 112.883 178.848 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.92 -19.99 62.53 Favored 'General case' 0 CA--C 1.499 -0.997 0 CA-C-N 115.521 -0.763 . . . . 42.25 109.423 178.636 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -96.36 116.93 29.82 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-N 114.994 -1.003 . . . . 54.539999999999999 108.648 176.171 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 29.1 pt -80.23 5.57 1.41 Allowed 'Isoleucine or valine' 0 C--O 1.205 -1.279 0 N-CA-C 115.877 1.806 . . . . 34.240000000000002 115.877 -173.418 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' THR . . . . . 0.445 ' OG1' ' CE1' ' A' ' 15' ' ' HIS . 26.4 m -53.61 -50.16 66.28 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 122.66 1.219 . . . . 36.060000000000002 112.493 -174.996 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.02 -42.11 85.47 Favored 'General case' 0 C--N 1.309 -1.168 0 O-C-N 121.616 -0.677 . . . . 35.799999999999997 109.593 -175.882 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.1 m -57.5 -45.46 84.88 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.825 0.345 . . . . 34.780000000000001 111.016 176.663 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 40.3 t -69.09 -48.72 67.81 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.013 0 CA-C-N 114.706 -1.133 . . . . 37.130000000000003 109.075 -175.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -65.29 -34.05 77.42 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-O 121.647 0.737 . . . . 39.090000000000003 111.147 -177.02 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 44.0 t -68.76 -40.72 79.6 Favored 'General case' 0 CA--C 1.574 1.866 0 N-CA-C 114.947 1.462 . . . . 33.450000000000003 114.947 172.288 -176.821 58.537 73.046 106.159 2.061 105.692 171.612 -60.667 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -56.51 -41.04 76.03 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 125.238 1.415 . . . . 30.16 114.35 173.656 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -52.14 -43.94 64.3 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 124.631 1.207 . . . . 40.109999999999999 113.874 167.619 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -70.76 -35.33 72.58 Favored 'General case' 0 C--N 1.316 -0.886 0 C-N-CA 118.999 -1.081 . . . . 66.590000000000003 109.002 -179.724 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 32.9 mt -68.33 -54.03 24.54 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.517 0 O-C-N 122.108 -0.37 . . . . 33.969999999999999 110.334 -176.165 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 9.8 p -65.07 -16.75 20.62 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 N-CA-C 112.593 0.59 . . . . 34.299999999999997 112.593 -175.432 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 20.3 m -87.65 -14.95 38.6 Favored 'General case' 0 C--O 1.203 -1.371 0 C-N-CA 123.886 0.875 . . . . 49.600000000000001 112.217 175.658 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 103' ' ' ASN 0.276 0.3 OUTLIER -43.54 -12.92 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 116.235 1.939 . . . . 51.840000000000003 116.235 178.549 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.43 -23.53 34.84 Favored Glycine 0 N--CA 1.481 1.669 0 N-CA-C 117.129 1.612 . . . . 43.840000000000003 117.129 -168.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ASN . . . . . 0.403 ' N ' ' OD1' ' A' ' 101' ' ' ASP . 77.3 m-20 -97.55 -0.08 46.51 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 114.455 1.28 . . . . 54.469999999999999 114.455 175.34 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 62.81 -144.52 49.48 Favored Glycine 0 C--N 1.34 0.76 0 N-CA-C 110.303 -1.119 . . . . 27.920000000000002 110.303 172.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 48.0 mtp -78.63 0.22 27.32 Favored 'General case' 0 C--N 1.309 -1.178 0 C-N-CA 117.802 -1.559 . . . . 28.190000000000001 113.02 -176.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -67.62 -19.6 65.25 Favored 'General case' 0 C--O 1.259 1.572 0 C-N-CA 119.678 -0.809 . . . . 33.82 112.311 179.641 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -45.6 -36.42 4.72 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.923 1.289 . . . . 31.920000000000002 110.861 167.232 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 25.9 m-90 -91.67 108.43 19.9 Favored 'General case' 0 C--O 1.26 1.613 0 CA-C-O 122.396 1.093 . . . . 29.640000000000001 110.67 176.148 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.2 t -64.47 -37.41 79.96 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.335 0 CA-C-N 114.709 -1.132 . . . . 48.07 108.092 -170.031 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.93 -32.28 70.47 Favored 'General case' 0 N--CA 1.438 -1.046 0 CA-C-N 115.079 -0.964 . . . . 30.16 112.172 178.484 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 79.4 t90 -65.41 -53.92 36.16 Favored 'General case' 0 CA--C 1.553 1.065 0 CA-C-O 123.045 1.402 . . . . 30.120000000000001 109.912 176.057 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' ARG . . . . . 0.644 ' NH2' ' O ' ' A' ' 570' ' ' HOH . 22.5 ttp85 -50.81 -47.67 59.91 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 113.772 -1.558 . . . . 75.629999999999995 110.381 179.489 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -85.29 -12.48 52.27 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 114.985 1.476 . . . . 31.5 114.985 -174.563 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' ARG . . . . . 0.637 ' NH1' ' O ' ' A' ' 547' ' ' HOH . 43.7 mtp180 -135.02 -17.05 1.89 Allowed 'General case' 0 N--CA 1.42 -1.965 0 N-CA-C 117.748 2.499 . . . . 22.559999999999999 117.748 -172.854 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' CYS . . . . . 0.458 ' O ' ' OG1' ' A' ' 118' ' ' THR . 72.4 m -113.3 -48.42 2.96 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.575 1.15 . . . . 27.57 112.059 -177.277 -62.012 -70.503 -94.028 103.432 2.072 103.512 -86.901 178.009 2 2 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -53.26 129.28 31.03 Favored 'General case' 0 N--CA 1.435 -1.182 0 CA-C-N 114.895 -1.048 . . . . 29.890000000000001 111.51 -174.58 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 81.91 -4.23 76.15 Favored Glycine 0 C--N 1.309 -0.956 0 C-N-CA 119.943 -1.122 . . . . 36.789999999999999 115.157 179.284 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' THR . . . . . 0.458 ' OG1' ' O ' ' A' ' 115' ' ' CYS . 36.6 p -97.04 173.51 7.23 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-O 122.295 1.045 . . . . 34.810000000000002 109.181 -177.875 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -73.55 73.08 1.43 Allowed 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 115.341 -0.845 . . . . 57.140000000000001 110.637 173.899 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 24.2 m -65.67 -17.88 22.93 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.408 0 N-CA-C 115.072 1.508 . . . . 36.950000000000003 115.072 -175.406 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -66.14 -27.29 67.93 Favored 'General case' 0 C--O 1.253 1.253 0 O-C-N 121.328 -0.857 . . . . 95.299999999999997 109.983 179.882 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -50.78 -28.35 9.09 Favored 'General case' 0 C--O 1.252 1.19 0 N-CA-C 113.358 0.873 . . . . 33.590000000000003 113.358 170.271 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' TRP . . . . . . . . . . . . . 79.8 m95 -72.38 -19.97 61.53 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 112.413 0.523 . . . . 34.979999999999997 112.413 -174.667 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 50.3 pt -110.1 8.82 8.82 Favored 'Isoleucine or valine' 0 C--O 1.256 1.403 0 N-CA-C 115.629 1.714 . . . . 42.960000000000001 115.629 173.843 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -52.74 136.19 33.91 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 109.21 -0.663 . . . . 48.0 109.21 177.952 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 82.1 -15.6 26.8 Favored Glycine 0 N--CA 1.441 -0.999 0 C-N-CA 120.01 -1.091 . . . . 44.969999999999999 114.046 171.209 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 14.9 m -73.91 143.59 45.7 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 118.698 1.249 . . . . 39.990000000000002 113.623 177.719 -46.62 -56.697 -68.908 105.656 2.021 100.938 -56.559 -64.601 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -91.05 93.03 8.98 Favored 'General case' 0 C--O 1.251 1.162 0 CA-C-N 113.907 -1.497 . . . . 46.969999999999999 109.073 179.146 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 93.0 mt . . . . . 0 C--N 1.323 -0.548 0 CA-C-N 115.016 -0.993 . . . . 79.079999999999998 109.984 -164.311 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 401' ' ' NO3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 402' ' ' NO3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 403' ' ' NO3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 404' ' ' NO3 . . . . . 1.006 ' O3 ' ' NH2' ' A' ' 21' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 405' ' ' EDO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 406' ' ' EDO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 407' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 408' ' ' ' AU' . . . . . 0.628 'AU ' ' O ' ' A' ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 409' ' ' ' AU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 501' ' ' HOH . . . . . 0.628 ' O ' 'AU ' ' A' ' 408' ' ' ' AU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 505' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 506' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 507' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 508' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 509' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 510' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 511' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 512' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 513' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 514' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 515' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 516' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 517' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 518' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 519' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 520' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 521' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 522' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 523' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 524' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 525' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 526' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 527' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 528' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 529' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 530' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 531' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 532' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 533' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 534' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 535' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 536' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 537' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 538' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 539' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 540' ' ' HOH . . . . . 0.433 ' O ' ' N ' ' A' ' 1' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 541' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 542' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 543' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 544' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 545' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 546' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 547' ' ' HOH . . . . . 0.637 ' O ' ' NH1' ' A' ' 114' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 548' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 549' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 550' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 551' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 552' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 553' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 554' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 555' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 556' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 557' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 558' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 559' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 560' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 561' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 562' ' ' HOH . . . . . 0.47 ' O ' ' NH1' ' A' ' 21' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 563' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 564' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 565' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 566' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 567' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 568' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 569' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 570' ' ' HOH . . . . . 0.644 ' O ' ' NH2' ' A' ' 112' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 571' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 572' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 573' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 80.0 tttt . . . . . 0 C--O 1.251 1.137 0 N-CA-C 112.938 0.718 . . . . 43.770000000000003 112.938 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 42.8 t -99.04 113.07 32.82 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 CA-C-N 115.426 -0.806 . . . . 36.700000000000003 109.653 170.241 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -83.07 153.75 24.74 Favored 'General case' 0 CA--C 1.484 -1.574 0 N-CA-C 107.28 -1.378 . . . . 35.299999999999997 107.28 -171.363 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.24 159.91 37.75 Favored Glycine 0 C--O 1.209 -1.434 0 N-CA-C 107.451 -2.26 . . . . 31.02 107.451 165.05 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 69.3 ttp85 -51.3 -59.04 4.66 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 113.579 0.955 . . . . 43.340000000000003 113.579 -179.786 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' CYS . . . . . 0.905 ' H ' ' H22' ' A' ' 406' ' ' EDO . 87.1 m -70.3 -37.35 74.77 Favored 'General case' 0 CA--C 1.5 -0.98 0 C-N-CA 124.819 1.248 . . . . 35.490000000000002 110.36 -177.129 -64.601 -56.559 -68.908 100.938 2.021 105.656 -56.697 -46.62 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 70.9 tt0 -55.31 -48.72 73.7 Favored 'General case' 0 C--O 1.211 -0.962 0 N-CA-C 108.729 -0.841 . . . . 43.130000000000003 108.729 171.661 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.5 tp -66.92 -45.26 78.46 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-O 121.141 0.496 . . . . 32.509999999999998 109.692 -179.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.37 -43.99 62.0 Favored 'General case' 0 CA--C 1.491 -1.293 0 O-C-N 121.159 -0.963 . . . . 32.460000000000001 111.966 176.909 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.0 -31.94 68.6 Favored 'General case' 0 CA--C 1.509 -0.624 0 C-N-CA 119.192 -1.003 . . . . 38.710000000000001 112.419 -175.311 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . 0.6 ' HB2' ' O ' ' A' ' 539' ' ' HOH . . . -73.3 -40.61 64.38 Favored 'General case' 0 C--O 1.259 1.554 0 CA-C-O 122.217 1.008 . . . . 31.27 109.108 -177.629 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 25.4 mtt -61.2 -43.98 98.01 Favored 'General case' 0 N--CA 1.435 -1.201 0 CA-C-N 112.905 -1.952 . . . . 34.030000000000001 112.425 175.954 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -63.91 -48.56 76.13 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 124.909 1.381 . . . . 58.890000000000001 110.49 176.149 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -52.19 -38.19 57.05 Favored 'General case' 0 C--O 1.217 -0.653 0 N-CA-C 113.194 0.813 . . . . 45.340000000000003 113.194 175.415 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' HIS . . . . . 0.508 ' HB3' HG11 ' A' ' 92' ' ' VAL . 48.7 m-70 -88.06 0.2 56.26 Favored 'General case' 0 CA--C 1.56 1.364 0 C-N-CA 123.334 0.654 . . . . 39.920000000000002 111.452 -171.969 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.56 18.54 23.09 Favored Glycine 0 CA--C 1.539 1.592 0 N-CA-C 117.94 1.936 . . . . 43.579999999999998 117.94 169.152 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 58.3 mt -89.21 -24.32 22.16 Favored 'General case' 0 C--O 1.249 1.03 0 N-CA-C 116.646 2.091 . . . . 44.670000000000002 116.646 -177.552 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -57.1 112.4 1.34 Allowed 'General case' 0 C--O 1.238 0.449 0 CA-C-O 121.557 0.694 . . . . 51.409999999999997 109.995 175.787 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 62.09 29.28 17.56 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 115.595 1.702 . . . . 68.159999999999997 115.595 -174.439 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -72.52 130.76 41.38 Favored 'General case' 0 CA--C 1.558 1.253 0 N-CA-C 107.802 -1.184 . . . . 39.57 107.802 174.172 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ARG . . . . . 1.006 ' NH2' ' O3 ' ' A' ' 404' ' ' NO3 . 12.7 mmm-85 38.78 33.39 0.07 Allowed 'General case' 0 N--CA 1.485 1.301 0 CA-C-O 122.534 1.159 . . . . 42.469999999999999 113.971 -162.847 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.86 6.2 85.48 Favored Glycine 0 N--CA 1.436 -1.323 0 N-CA-C 119.278 2.471 . . . . 36.140000000000001 119.278 176.263 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -95.28 109.11 21.28 Favored 'General case' 0 CA--C 1.491 -1.319 0 CA-C-N 118.133 0.967 . . . . 31.48 109.155 -179.328 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.5 p -50.67 146.82 5.26 Favored 'General case' 0 C--N 1.319 -0.72 0 O-C-N 124.467 1.104 . . . . 36.380000000000003 113.46 174.704 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 30.9 tp -43.71 -45.58 7.12 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 115.137 -0.938 . . . . 32.109999999999999 111.514 -179.157 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.06 -30.18 53.73 Favored Glycine 0 CA--C 1.551 2.324 0 N-CA-C 115.775 1.07 . . . . 27.030000000000001 115.775 179.874 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -64.7 -42.07 95.57 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 117.139 0.469 . . . . 32.590000000000003 112.046 176.13 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -66.12 -41.23 90.81 Favored 'General case' 0 N--CA 1.438 -1.039 0 N-CA-C 113.749 1.018 . . . . 27.739999999999998 113.749 176.589 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.8 t -68.37 -46.15 81.16 Favored 'Isoleucine or valine' 0 C--O 1.246 0.88 0 N-CA-C 109.509 -0.552 . . . . 27.739999999999998 109.509 176.382 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' CYS . . . . . 0.55 ' HB2' ' CD1' ' A' ' 123' ' ' TRP . 41.9 t -60.5 -45.3 94.3 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 119.078 -1.049 . . . . 29.91 108.436 -179.918 178.009 -86.901 -94.028 103.512 2.072 103.432 -70.503 -62.012 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.92 -41.8 75.14 Favored 'General case' 0 C--O 1.25 1.117 0 O-C-N 120.648 -1.283 . . . . 27.960000000000001 111.425 178.834 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.71 -38.28 80.12 Favored 'General case' 0 CA--C 1.489 -1.372 0 CA-C-O 121.315 0.579 . . . . 26.84 111.708 -172.052 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LYS . . . . . 0.403 ' HG2' ' CH2' ' A' ' 123' ' ' TRP . 47.9 tptt -57.18 -48.56 78.44 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-N 114.821 -1.082 . . . . 32.560000000000002 110.421 173.204 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' PHE . . . . . 0.415 ' CE2' ' HG3' ' A' ' 114' ' ' ARG . 18.7 m-85 -85.71 -17.55 35.63 Favored 'General case' 0 CA--C 1.489 -1.39 0 CA-C-O 118.262 -0.875 . . . . 33.920000000000002 112.328 -168.486 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -87.91 -43.67 11.62 Favored 'General case' 0 CA--C 1.534 0.355 0 O-C-N 124.444 1.09 . . . . 32.130000000000003 110.597 177.729 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 96.9 p -131.12 -3.55 3.94 Favored 'General case' 0 CA--C 1.498 -1.025 0 N-CA-C 116.016 1.858 . . . . 30.039999999999999 116.016 -171.341 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.2 t30 52.17 33.06 11.57 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 115.448 1.647 . . . . 44.030000000000001 115.448 -165.195 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 77.21 12.2 2.2 Favored 'General case' 0 CA--C 1.566 1.581 0 C-N-CA 124.023 0.929 . . . . 33.979999999999997 111.912 173.252 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -99.5 117.59 34.23 Favored 'General case' 0 C--O 1.262 1.758 0 C-N-CA 122.749 0.42 . . . . 34.210000000000001 110.935 -177.23 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 80.6 p -65.09 -19.21 65.88 Favored 'General case' 0 C--O 1.215 -0.733 0 CA-C-N 115.567 -0.742 . . . . 32.899999999999999 112.49 -177.091 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -95.86 4.69 52.6 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 113.619 0.97 . . . . 37.869999999999997 113.619 -174.579 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.8 133.04 49.31 Favored 'General case' 0 C--O 1.255 1.36 0 CA-C-O 121.486 0.66 . . . . 29.899999999999999 111.106 -175.155 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 69.5 p -137.83 136.97 37.68 Favored 'General case' 0 C--O 1.2 -1.502 0 N-CA-C 106.587 -1.634 . . . . 32.380000000000003 106.587 178.474 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -146.73 131.38 17.86 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 123.753 0.821 . . . . 41.960000000000001 110.886 178.75 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -79.15 141.61 37.1 Favored 'General case' 0 CA--C 1.479 -1.765 0 N-CA-C 106.033 -1.84 . . . . 54.740000000000002 106.033 -176.785 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -92.12 164.04 13.73 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 106.255 -1.758 . . . . 39.920000000000002 106.255 173.036 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 81.6 p -64.27 -31.26 72.39 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 113.658 0.984 . . . . 49.579999999999998 113.658 175.126 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 47.2 p-10 -71.41 0.03 9.18 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 119.133 -1.027 . . . . 47.560000000000002 113.519 179.648 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 91.94 -11.14 72.91 Favored Glycine 0 CA--C 1.532 1.135 0 N-CA-C 116.575 1.39 . . . . 41.909999999999997 116.575 -176.855 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.5 p -74.18 175.34 7.62 Favored 'General case' 0 C--O 1.222 -0.381 0 N-CA-C 106.561 -1.644 . . . . 35.600000000000001 106.561 172.55 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 59.4 m -133.57 152.54 51.92 Favored 'General case' 0 C--O 1.259 1.569 0 N-CA-C 107.516 -1.291 . . . . 31.989999999999998 107.516 174.514 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -101.61 133.43 46.31 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.101 -1.408 . . . . 37.520000000000003 109.675 174.128 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' TYR . . . . . 0.406 ' CD2' ' HB3' ' A' ' 80' ' ' CYS . 97.8 m-85 -123.25 127.93 49.27 Favored 'General case' 0 C--O 1.222 -0.364 0 N-CA-C 114.137 1.162 . . . . 30.600000000000001 114.137 -174.508 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 97.7 -169.38 24.46 Favored Glycine 0 N--CA 1.421 -2.363 0 CA-C-N 114.123 -1.399 . . . . 28.850000000000001 116.484 160.527 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -53.92 -31.25 20.59 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.136 0 N-CA-C 114.197 1.184 . . . . 33.310000000000002 114.197 -179.693 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.6 mt -119.96 19.41 12.36 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 113.469 0.915 . . . . 34.810000000000002 113.469 178.998 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 49.23 53.89 11.88 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 114.251 1.204 . . . . 27.82 114.251 168.183 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 82.6 mt -84.58 132.64 31.12 Favored 'Isoleucine or valine' 0 C--O 1.267 1.983 0 CA-C-N 114.14 -1.391 . . . . 35.259999999999998 108.724 -174.267 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -95.14 132.04 40.5 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 112.194 -2.276 . . . . 41.009999999999998 109.469 -161.237 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 72.5 p -68.62 -8.85 45.78 Favored 'General case' 0 CA--C 1.573 1.838 0 C-N-CA 126.228 1.811 . . . . 37.549999999999997 115.081 173.903 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -64.45 -33.65 76.36 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-O 118.567 -0.73 . . . . 80.980000000000004 110.342 173.935 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 8.0 m-90 -131.87 -22.82 2.32 Favored 'General case' 0 CA--C 1.497 -1.089 0 N-CA-C 116.898 2.185 . . . . 79.700000000000003 116.898 -178.976 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 80.9 m95 -109.93 -30.44 7.81 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 117.826 2.528 . . . . 34.710000000000001 117.826 -161.283 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.9 p -141.33 163.45 32.92 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 109.289 -0.634 . . . . 32.460000000000001 109.289 -178.621 58.101 89.005 88.361 101.824 2.037 107.695 -57.505 -68.228 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -101.65 123.63 45.97 Favored 'General case' 0 C--O 1.265 1.897 0 N-CA-C 114.034 1.124 . . . . 54.439999999999998 114.034 174.771 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 53.5 p30 -115.58 6.98 14.73 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 114.113 1.153 . . . . 32.729999999999997 114.113 177.002 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 70.44 10.23 66.13 Favored Glycine 0 C--O 1.243 0.698 0 N-CA-C 115.753 1.061 . . . . 39.630000000000003 115.753 176.543 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ARG . . . . . 0.418 ' O ' ' HD3' ' A' ' 70' ' ' PRO . 16.1 ptt180 -151.2 24.66 0.72 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 114.775 1.398 . . . . 40.25 114.775 177.417 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.9 m -116.1 80.88 9.7 Favored Pre-proline 0 C--O 1.215 -0.734 0 N-CA-C 105.552 -2.018 . . . . 44.869999999999997 105.552 177.757 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' ' 68' ' ' ARG . 81.5 Cg_exo -50.75 135.52 42.18 Favored 'Trans proline' 0 CA--C 1.501 -1.138 0 C-N-CA 124.01 3.14 . . . . 65.780000000000001 112.791 -176.11 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 61.59 40.54 98.87 Favored Glycine 0 CA--C 1.509 -0.331 0 O-C-N 124.564 1.165 . . . . 60.560000000000002 114.359 169.285 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 51.7 p -120.26 176.36 5.5 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 124.966 1.307 . . . . 58.43 108.919 -175.139 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 28.1 mmm-85 -112.46 171.77 7.32 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.769 0.795 . . . . 102.70999999999999 110.718 -179.538 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 -139.23 58.78 1.62 Allowed 'General case' 0 CA--C 1.507 -0.675 0 CA-C-N 114.682 -1.144 . . . . 44.409999999999997 108.444 -179.738 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 90.9 mt -65.08 -18.99 65.77 Favored 'General case' 0 C--O 1.209 -1.039 0 N-CA-C 115.157 1.54 . . . . 42.109999999999999 115.157 -171.84 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 78.7 m -93.13 2.8 56.54 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 120.444 1.475 . . . . 33.740000000000002 110.074 174.903 -60.667 171.612 73.046 105.692 2.061 106.159 58.537 -176.821 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 46.0 58.52 4.35 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.697 0.761 . . . . 41.020000000000003 112.952 -179.929 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.6 pt -142.31 149.95 53.37 Favored Pre-proline 0 CA--C 1.549 0.935 0 CA-C-N 113.966 -1.47 . . . . 48.460000000000001 111.65 176.469 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -64.2 140.75 72.72 Favored 'Trans proline' 0 C--O 1.254 1.281 0 C-N-CA 117.677 -1.082 . . . . 36.090000000000003 110.822 157.582 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' CYS . . . . . 0.406 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 90.2 m -63.63 -30.39 71.5 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-N 114.518 -1.219 . . . . 30.510000000000002 111.509 -176.287 -68.228 -57.505 88.361 107.695 2.037 101.824 89.005 58.101 2 2 . 1 . 001 ecloud build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 88.1 p -57.23 -28.54 63.0 Favored 'General case' 0 CA--C 1.501 -0.907 0 CA-C-O 117.485 -1.245 . . . . 36.289999999999999 112.544 174.271 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.67 -19.45 64.91 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-N 119.583 1.083 . . . . 38.549999999999997 112.585 177.336 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 59.9 mt -85.06 1.51 47.4 Favored 'General case' 0 N--CA 1.436 -1.174 0 CA-C-N 115.504 -0.771 . . . . 39.640000000000001 109.635 -176.559 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 84.5 mt -110.99 -1.02 16.49 Favored 'General case' 0 N--CA 1.437 -1.095 0 N-CA-C 113.93 1.085 . . . . 37.170000000000002 113.93 -174.55 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.3 t -66.69 159.74 27.11 Favored 'General case' 0 N--CA 1.436 -1.153 0 C-N-CA 124.347 1.059 . . . . 35.649999999999999 112.883 178.848 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.92 -19.99 62.53 Favored 'General case' 0 CA--C 1.499 -0.997 0 CA-C-N 115.521 -0.763 . . . . 42.25 109.423 178.636 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -96.36 116.93 29.82 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-N 114.994 -1.003 . . . . 54.539999999999999 108.648 176.171 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 29.1 pt -80.23 5.57 1.41 Allowed 'Isoleucine or valine' 0 C--O 1.205 -1.279 0 N-CA-C 115.877 1.806 . . . . 34.240000000000002 115.877 -173.418 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' THR . . . . . 0.482 ' OG1' ' HE1' ' A' ' 15' ' ' HIS . 26.4 m -53.61 -50.16 66.28 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 122.66 1.219 . . . . 36.060000000000002 112.493 -174.996 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.02 -42.11 85.47 Favored 'General case' 0 C--N 1.309 -1.168 0 O-C-N 121.616 -0.677 . . . . 35.799999999999997 109.593 -175.882 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.1 m -57.5 -45.46 84.88 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.825 0.345 . . . . 34.780000000000001 111.016 176.663 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' VAL . . . . . 0.508 HG11 ' HB3' ' A' ' 15' ' ' HIS . 40.3 t -69.09 -48.72 67.81 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.013 0 CA-C-N 114.706 -1.133 . . . . 37.130000000000003 109.075 -175.995 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -65.29 -34.05 77.42 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-O 121.647 0.737 . . . . 39.090000000000003 111.147 -177.02 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 44.0 t -68.76 -40.72 79.6 Favored 'General case' 0 CA--C 1.574 1.866 0 N-CA-C 114.947 1.462 . . . . 33.450000000000003 114.947 172.288 -176.821 58.537 73.046 106.159 2.061 105.692 171.612 -60.667 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -56.51 -41.04 76.03 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 125.238 1.415 . . . . 30.16 114.35 173.656 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -52.14 -43.94 64.3 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 124.631 1.207 . . . . 40.109999999999999 113.874 167.619 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -70.76 -35.33 72.58 Favored 'General case' 0 C--N 1.316 -0.886 0 C-N-CA 118.999 -1.081 . . . . 66.590000000000003 109.002 -179.724 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' ILE . . . . . 0.548 ' O ' ' HB2' ' A' ' 101' ' ' ASP . 32.9 mt -68.33 -54.03 24.54 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.517 0 O-C-N 122.108 -0.37 . . . . 33.969999999999999 110.334 -176.165 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 9.8 p -65.07 -16.75 20.62 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 N-CA-C 112.593 0.59 . . . . 34.299999999999997 112.593 -175.432 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 20.3 m -87.65 -14.95 38.6 Favored 'General case' 0 C--O 1.203 -1.371 0 C-N-CA 123.886 0.875 . . . . 49.600000000000001 112.217 175.658 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ASP . . . . . 0.548 ' HB2' ' O ' ' A' ' 98' ' ' ILE 0.276 0.3 OUTLIER -43.54 -12.92 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 116.235 1.939 . . . . 51.840000000000003 116.235 178.549 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.43 -23.53 34.84 Favored Glycine 0 N--CA 1.481 1.669 0 N-CA-C 117.129 1.612 . . . . 43.840000000000003 117.129 -168.585 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -97.55 -0.08 46.51 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 114.455 1.28 . . . . 54.469999999999999 114.455 175.34 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 62.81 -144.52 49.48 Favored Glycine 0 C--N 1.34 0.76 0 N-CA-C 110.303 -1.119 . . . . 27.920000000000002 110.303 172.037 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 48.0 mtp -78.63 0.22 27.32 Favored 'General case' 0 C--N 1.309 -1.178 0 C-N-CA 117.802 -1.559 . . . . 28.190000000000001 113.02 -176.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -67.62 -19.6 65.25 Favored 'General case' 0 C--O 1.259 1.572 0 C-N-CA 119.678 -0.809 . . . . 33.82 112.311 179.641 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -45.6 -36.42 4.72 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.923 1.289 . . . . 31.920000000000002 110.861 167.232 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 25.9 m-90 -91.67 108.43 19.9 Favored 'General case' 0 C--O 1.26 1.613 0 CA-C-O 122.396 1.093 . . . . 29.640000000000001 110.67 176.148 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' VAL . . . . . 0.597 HG22 ' NH1' ' A' ' 112' ' ' ARG . 2.2 t -64.47 -37.41 79.96 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.335 0 CA-C-N 114.709 -1.132 . . . . 48.07 108.092 -170.031 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.93 -32.28 70.47 Favored 'General case' 0 N--CA 1.438 -1.046 0 CA-C-N 115.079 -0.964 . . . . 30.16 112.172 178.484 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' TRP . . . . . 0.447 ' CD1' ' HB2' ' A' ' 115' ' ' CYS . 79.4 t90 -65.41 -53.92 36.16 Favored 'General case' 0 CA--C 1.553 1.065 0 CA-C-O 123.045 1.402 . . . . 30.120000000000001 109.912 176.057 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 112' ' ' ARG . . . . . 0.597 ' NH1' HG22 ' A' ' 109' ' ' VAL . 22.5 ttp85 -50.81 -47.67 59.91 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 113.772 -1.558 . . . . 75.629999999999995 110.381 179.489 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -85.29 -12.48 52.27 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 114.985 1.476 . . . . 31.5 114.985 -174.563 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' ARG . . . . . 0.618 ' HD2' ' O ' ' A' ' 547' ' ' HOH . 43.7 mtp180 -135.02 -17.05 1.89 Allowed 'General case' 0 N--CA 1.42 -1.965 0 N-CA-C 117.748 2.499 . . . . 23.98 117.748 -172.854 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 115' ' ' CYS . . . . . 0.447 ' HB2' ' CD1' ' A' ' 111' ' ' TRP . 72.4 m -113.3 -48.42 2.96 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.575 1.15 . . . . 27.57 112.059 -177.277 -62.012 -70.503 -94.028 103.432 2.072 103.512 -86.901 178.009 2 2 . 1 . 001 ecloud build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -53.26 129.28 31.03 Favored 'General case' 0 N--CA 1.435 -1.182 0 CA-C-N 114.895 -1.048 . . . . 29.890000000000001 111.51 -174.58 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 81.91 -4.23 76.15 Favored Glycine 0 C--N 1.309 -0.956 0 C-N-CA 119.943 -1.122 . . . . 36.789999999999999 115.157 179.284 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 36.6 p -97.04 173.51 7.23 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-O 122.295 1.045 . . . . 34.810000000000002 109.181 -177.875 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -73.55 73.08 1.43 Allowed 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 115.341 -0.845 . . . . 57.140000000000001 110.637 173.899 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 24.2 m -65.67 -17.88 22.93 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.408 0 N-CA-C 115.072 1.508 . . . . 36.950000000000003 115.072 -175.406 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.14 -27.29 67.93 Favored 'General case' 0 C--O 1.253 1.253 0 O-C-N 121.328 -0.857 . . . . 95.299999999999997 109.983 179.882 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -50.78 -28.35 9.09 Favored 'General case' 0 C--O 1.252 1.19 0 N-CA-C 113.358 0.873 . . . . 33.590000000000003 113.358 170.271 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' TRP . . . . . 0.55 ' CD1' ' HB2' ' A' ' 30' ' ' CYS . 79.8 m95 -72.38 -19.97 61.53 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 112.413 0.523 . . . . 34.979999999999997 112.413 -174.667 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 50.3 pt -110.1 8.82 8.82 Favored 'Isoleucine or valine' 0 C--O 1.256 1.403 0 N-CA-C 115.629 1.714 . . . . 42.960000000000001 115.629 173.843 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' ARG . . . . . 0.424 ' HB3' ' O ' ' A' ' 542' ' ' HOH . 8.0 ttm180 -52.74 136.19 33.91 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 109.21 -0.663 . . . . 57.729999999999997 109.21 177.952 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 82.1 -15.6 26.8 Favored Glycine 0 N--CA 1.441 -0.999 0 C-N-CA 120.01 -1.091 . . . . 44.969999999999999 114.046 171.209 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 14.9 m -73.91 143.59 45.7 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 118.698 1.249 . . . . 39.990000000000002 113.623 177.719 -46.62 -56.697 -68.908 105.656 2.021 100.938 -56.559 -64.601 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' ARG . . . . . 0.47 ' HD2' ' O ' ' A' ' 548' ' ' HOH . 1.1 ttm180 -91.05 93.03 8.98 Favored 'General case' 0 C--O 1.251 1.162 0 CA-C-N 113.907 -1.497 . . . . 47.840000000000003 109.073 179.146 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 93.0 mt . . . . . 0 C--N 1.323 -0.548 0 CA-C-N 115.016 -0.993 . . . . 79.079999999999998 109.984 -164.311 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 401' ' ' NO3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 402' ' ' NO3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 403' ' ' NO3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 404' ' ' NO3 . . . . . 1.006 ' O3 ' ' NH2' ' A' ' 21' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 405' ' ' EDO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 406' ' ' EDO . . . . . 0.905 ' H22' ' H ' ' A' ' 6' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 407' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 408' ' ' ' AU' . . . . . 0.628 'AU ' ' O ' ' A' ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 409' ' ' ' AU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 501' ' ' HOH . . . . . 0.628 ' O ' 'AU ' ' A' ' 408' ' ' ' AU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 505' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 506' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 507' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 508' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 509' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 510' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 511' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 512' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 513' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 514' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 515' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 516' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 517' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 518' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 519' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 520' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 521' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 522' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 523' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 524' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 525' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 526' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 527' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 528' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 529' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 530' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 531' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 532' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 533' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 534' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 535' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 536' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 537' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 538' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 539' ' ' HOH . . . . . 0.6 ' O ' ' HB2' ' A' ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 540' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 541' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 542' ' ' HOH . . . . . 0.424 ' O ' ' HB3' ' A' ' 125' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 543' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 544' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 545' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 546' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 547' ' ' HOH . . . . . 0.618 ' O ' ' HD2' ' A' ' 114' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 548' ' ' HOH . . . . . 0.47 ' O ' ' HD2' ' A' ' 128' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 549' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 550' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 551' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 552' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 553' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 554' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 555' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 556' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 557' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 558' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 559' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 560' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 561' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 562' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 563' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 564' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 565' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 566' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 567' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 568' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 569' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 570' ' ' HOH . . . . . 0.443 ' O ' ' NH2' ' A' ' 112' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 571' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 572' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 573' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 80.0 tttt . . . . . 0 C--O 1.251 1.137 0 N-CA-C 112.938 0.718 . . . . 43.770000000000003 112.938 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 42.8 t -99.04 113.07 32.82 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 CA-C-N 115.426 -0.806 . . . . 36.700000000000003 109.653 170.241 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -83.07 153.75 24.74 Favored 'General case' 0 CA--C 1.484 -1.574 0 N-CA-C 107.28 -1.378 . . . . 35.299999999999997 107.28 -171.363 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.24 159.91 37.75 Favored Glycine 0 C--O 1.209 -1.434 0 N-CA-C 107.451 -2.26 . . . . 31.02 107.451 165.05 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 69.3 ttp85 -51.3 -59.04 4.66 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 113.579 0.955 . . . . 43.340000000000003 113.579 -179.786 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.905 ' H ' ' H22' ' A' ' 406' ' ' EDO . 87.1 m -70.3 -37.35 74.77 Favored 'General case' 0 CA--C 1.5 -0.98 0 C-N-CA 124.819 1.248 . . . . 35.490000000000002 110.36 -177.129 -64.601 -56.559 -68.908 100.938 2.021 105.656 -56.697 -46.62 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 70.9 tt0 -55.31 -48.72 73.7 Favored 'General case' 0 C--O 1.211 -0.962 0 N-CA-C 108.729 -0.841 . . . . 43.130000000000003 108.729 171.661 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.5 tp -66.92 -45.26 78.46 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-O 121.141 0.496 . . . . 32.509999999999998 109.692 -179.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.37 -43.99 62.0 Favored 'General case' 0 CA--C 1.491 -1.293 0 O-C-N 121.159 -0.963 . . . . 32.460000000000001 111.966 176.909 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.0 -31.94 68.6 Favored 'General case' 0 CA--C 1.509 -0.624 0 C-N-CA 119.192 -1.003 . . . . 38.710000000000001 112.419 -175.311 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.6 ' HB2' ' O ' ' A' ' 539' ' ' HOH . . . -73.3 -40.61 64.38 Favored 'General case' 0 C--O 1.259 1.554 0 CA-C-O 122.217 1.008 . . . . 31.27 109.108 -177.629 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 25.4 mtt -61.2 -43.98 98.01 Favored 'General case' 0 N--CA 1.435 -1.201 0 CA-C-N 112.905 -1.952 . . . . 34.030000000000001 112.425 175.954 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -63.91 -48.56 76.13 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 124.909 1.381 . . . . 58.890000000000001 110.49 176.149 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -52.19 -38.19 57.05 Favored 'General case' 0 C--O 1.217 -0.653 0 N-CA-C 113.194 0.813 . . . . 45.340000000000003 113.194 175.415 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.508 ' HB3' HG11 ' A' ' 92' ' ' VAL . 48.7 m-70 -88.06 0.2 56.26 Favored 'General case' 0 CA--C 1.56 1.364 0 C-N-CA 123.334 0.654 . . . . 39.920000000000002 111.452 -171.969 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.56 18.54 23.09 Favored Glycine 0 CA--C 1.539 1.592 0 N-CA-C 117.94 1.936 . . . . 43.579999999999998 117.94 169.152 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 58.3 mt -89.21 -24.32 22.16 Favored 'General case' 0 C--O 1.249 1.03 0 N-CA-C 116.646 2.091 . . . . 44.670000000000002 116.646 -177.552 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -57.1 112.4 1.34 Allowed 'General case' 0 C--O 1.238 0.449 0 CA-C-O 121.557 0.694 . . . . 51.409999999999997 109.995 175.787 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 62.09 29.28 17.56 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 115.595 1.702 . . . . 68.159999999999997 115.595 -174.439 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -72.52 130.76 41.38 Favored 'General case' 0 CA--C 1.558 1.253 0 N-CA-C 107.802 -1.184 . . . . 39.57 107.802 174.172 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ARG . . . . . 1.006 ' NH2' ' O3 ' ' A' ' 404' ' ' NO3 . 12.7 mmm-85 38.78 33.39 0.07 Allowed 'General case' 0 N--CA 1.485 1.301 0 CA-C-O 122.534 1.159 . . . . 42.469999999999999 113.971 -162.847 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.86 6.2 85.48 Favored Glycine 0 N--CA 1.436 -1.323 0 N-CA-C 119.278 2.471 . . . . 36.140000000000001 119.278 176.263 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -95.28 109.11 21.28 Favored 'General case' 0 CA--C 1.491 -1.319 0 CA-C-N 118.133 0.967 . . . . 31.48 109.155 -179.328 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.5 p -50.67 146.82 5.26 Favored 'General case' 0 C--N 1.319 -0.72 0 O-C-N 124.467 1.104 . . . . 36.380000000000003 113.46 174.704 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 30.9 tp -43.71 -45.58 7.12 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 115.137 -0.938 . . . . 32.109999999999999 111.514 -179.157 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.06 -30.18 53.73 Favored Glycine 0 CA--C 1.551 2.324 0 N-CA-C 115.775 1.07 . . . . 27.030000000000001 115.775 179.874 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -64.7 -42.07 95.57 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 117.139 0.469 . . . . 32.590000000000003 112.046 176.13 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -66.12 -41.23 90.81 Favored 'General case' 0 N--CA 1.438 -1.039 0 N-CA-C 113.749 1.018 . . . . 27.739999999999998 113.749 176.589 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.8 t -68.37 -46.15 81.16 Favored 'Isoleucine or valine' 0 C--O 1.246 0.88 0 N-CA-C 109.509 -0.552 . . . . 27.739999999999998 109.509 176.382 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.55 ' HB2' ' CD1' ' A' ' 123' ' ' TRP . 41.9 t -60.5 -45.3 94.3 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 119.078 -1.049 . . . . 29.91 108.436 -179.918 178.009 -86.901 -94.028 103.512 2.072 103.432 -70.503 -62.012 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.92 -41.8 75.14 Favored 'General case' 0 C--O 1.25 1.117 0 O-C-N 120.648 -1.283 . . . . 27.960000000000001 111.425 178.834 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.71 -38.28 80.12 Favored 'General case' 0 CA--C 1.489 -1.372 0 CA-C-O 121.315 0.579 . . . . 26.84 111.708 -172.052 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.403 ' HG2' ' CH2' ' A' ' 123' ' ' TRP . 47.9 tptt -57.18 -48.56 78.44 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-N 114.821 -1.082 . . . . 32.560000000000002 110.421 173.204 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.415 ' CE2' ' HG3' ' A' ' 114' ' ' ARG . 18.7 m-85 -85.71 -17.55 35.63 Favored 'General case' 0 CA--C 1.489 -1.39 0 CA-C-O 118.262 -0.875 . . . . 33.920000000000002 112.328 -168.486 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -87.91 -43.67 11.62 Favored 'General case' 0 CA--C 1.534 0.355 0 O-C-N 124.444 1.09 . . . . 32.130000000000003 110.597 177.729 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 96.9 p -131.12 -3.55 3.94 Favored 'General case' 0 CA--C 1.498 -1.025 0 N-CA-C 116.016 1.858 . . . . 30.039999999999999 116.016 -171.341 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.2 t30 52.17 33.06 11.57 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 115.448 1.647 . . . . 44.030000000000001 115.448 -165.195 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 77.21 12.2 2.2 Favored 'General case' 0 CA--C 1.566 1.581 0 C-N-CA 124.023 0.929 . . . . 33.979999999999997 111.912 173.252 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -99.5 117.59 34.23 Favored 'General case' 0 C--O 1.262 1.758 0 C-N-CA 122.749 0.42 . . . . 34.210000000000001 110.935 -177.23 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 80.6 p -65.09 -19.21 65.88 Favored 'General case' 0 C--O 1.215 -0.733 0 CA-C-N 115.567 -0.742 . . . . 32.899999999999999 112.49 -177.091 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -95.86 4.69 52.6 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 113.619 0.97 . . . . 37.869999999999997 113.619 -174.579 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.8 133.04 49.31 Favored 'General case' 0 C--O 1.255 1.36 0 CA-C-O 121.486 0.66 . . . . 29.899999999999999 111.106 -175.155 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 69.5 p -137.83 136.97 37.68 Favored 'General case' 0 C--O 1.2 -1.502 0 N-CA-C 106.587 -1.634 . . . . 32.380000000000003 106.587 178.474 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -146.73 131.38 17.86 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 123.753 0.821 . . . . 41.960000000000001 110.886 178.75 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -79.15 141.61 37.1 Favored 'General case' 0 CA--C 1.479 -1.765 0 N-CA-C 106.033 -1.84 . . . . 54.740000000000002 106.033 -176.785 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -92.12 164.04 13.73 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 106.255 -1.758 . . . . 39.920000000000002 106.255 173.036 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 81.6 p -64.27 -31.26 72.39 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 113.658 0.984 . . . . 49.579999999999998 113.658 175.126 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 47.2 p-10 -71.41 0.03 9.18 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 119.133 -1.027 . . . . 47.560000000000002 113.519 179.648 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 91.94 -11.14 72.91 Favored Glycine 0 CA--C 1.532 1.135 0 N-CA-C 116.575 1.39 . . . . 41.909999999999997 116.575 -176.855 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.5 p -74.18 175.34 7.62 Favored 'General case' 0 C--O 1.222 -0.381 0 N-CA-C 106.561 -1.644 . . . . 35.600000000000001 106.561 172.55 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 59.4 m -133.57 152.54 51.92 Favored 'General case' 0 C--O 1.259 1.569 0 N-CA-C 107.516 -1.291 . . . . 31.989999999999998 107.516 174.514 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -101.61 133.43 46.31 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.101 -1.408 . . . . 37.520000000000003 109.675 174.128 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.406 ' CD2' ' HB3' ' A' ' 80' ' ' CYS . 97.8 m-85 -123.25 127.93 49.27 Favored 'General case' 0 C--O 1.222 -0.364 0 N-CA-C 114.137 1.162 . . . . 30.600000000000001 114.137 -174.508 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 97.7 -169.38 24.46 Favored Glycine 0 N--CA 1.421 -2.363 0 CA-C-N 114.123 -1.399 . . . . 28.850000000000001 116.484 160.527 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -53.92 -31.25 20.59 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.136 0 N-CA-C 114.197 1.184 . . . . 33.310000000000002 114.197 -179.693 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 18.6 mt -119.96 19.41 12.36 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 113.469 0.915 . . . . 34.810000000000002 113.469 178.998 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 49.23 53.89 11.88 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 114.251 1.204 . . . . 27.82 114.251 168.183 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 82.6 mt -84.58 132.64 31.12 Favored 'Isoleucine or valine' 0 C--O 1.267 1.983 0 CA-C-N 114.14 -1.391 . . . . 35.259999999999998 108.724 -174.267 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -95.14 132.04 40.5 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 112.194 -2.276 . . . . 41.009999999999998 109.469 -161.237 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 72.5 p -68.62 -8.85 45.78 Favored 'General case' 0 CA--C 1.573 1.838 0 C-N-CA 126.228 1.811 . . . . 37.549999999999997 115.081 173.903 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -64.45 -33.65 76.36 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-O 118.567 -0.73 . . . . 80.980000000000004 110.342 173.935 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 8.0 m-90 -131.87 -22.82 2.32 Favored 'General case' 0 CA--C 1.497 -1.089 0 N-CA-C 116.898 2.185 . . . . 79.700000000000003 116.898 -178.976 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 80.9 m95 -109.93 -30.44 7.81 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 117.826 2.528 . . . . 34.710000000000001 117.826 -161.283 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.9 p -141.33 163.45 32.92 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 109.289 -0.634 . . . . 32.460000000000001 109.289 -178.621 58.101 89.005 88.361 101.824 2.037 107.695 -57.505 -68.228 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -101.65 123.63 45.97 Favored 'General case' 0 C--O 1.265 1.897 0 N-CA-C 114.034 1.124 . . . . 54.439999999999998 114.034 174.771 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 53.5 p30 -115.58 6.98 14.73 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 114.113 1.153 . . . . 32.729999999999997 114.113 177.002 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 70.44 10.23 66.13 Favored Glycine 0 C--O 1.243 0.698 0 N-CA-C 115.753 1.061 . . . . 39.630000000000003 115.753 176.543 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.418 ' O ' ' HD3' ' A' ' 70' ' ' PRO . 16.1 ptt180 -151.2 24.66 0.72 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 114.775 1.398 . . . . 40.25 114.775 177.417 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.9 m -116.1 80.88 9.7 Favored Pre-proline 0 C--O 1.215 -0.734 0 N-CA-C 105.552 -2.018 . . . . 44.869999999999997 105.552 177.757 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' ' 68' ' ' ARG . 81.5 Cg_exo -50.75 135.52 42.18 Favored 'Trans proline' 0 CA--C 1.501 -1.138 0 C-N-CA 124.01 3.14 . . . . 65.780000000000001 112.791 -176.11 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 61.59 40.54 98.87 Favored Glycine 0 CA--C 1.509 -0.331 0 O-C-N 124.564 1.165 . . . . 60.560000000000002 114.359 169.285 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 51.7 p -120.26 176.36 5.5 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 124.966 1.307 . . . . 58.43 108.919 -175.139 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 28.1 mmm-85 -112.46 171.77 7.32 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.769 0.795 . . . . 102.70999999999999 110.718 -179.538 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 -139.23 58.78 1.62 Allowed 'General case' 0 CA--C 1.507 -0.675 0 CA-C-N 114.682 -1.144 . . . . 44.409999999999997 108.444 -179.738 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 90.9 mt -65.08 -18.99 65.77 Favored 'General case' 0 C--O 1.209 -1.039 0 N-CA-C 115.157 1.54 . . . . 42.109999999999999 115.157 -171.84 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 78.7 m -93.13 2.8 56.54 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 120.444 1.475 . . . . 33.740000000000002 110.074 174.903 -60.667 171.612 73.046 105.692 2.061 106.159 58.537 -176.821 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 46.0 58.52 4.35 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.697 0.761 . . . . 41.020000000000003 112.952 -179.929 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.6 pt -142.31 149.95 53.37 Favored Pre-proline 0 CA--C 1.549 0.935 0 CA-C-N 113.966 -1.47 . . . . 48.460000000000001 111.65 176.469 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -64.2 140.75 72.72 Favored 'Trans proline' 0 C--O 1.254 1.281 0 C-N-CA 117.677 -1.082 . . . . 36.090000000000003 110.822 157.582 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.406 ' HB3' ' CD2' ' A' ' 53' ' ' TYR . 90.2 m -63.63 -30.39 71.5 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-N 114.518 -1.219 . . . . 30.510000000000002 111.509 -176.287 -68.228 -57.505 88.361 107.695 2.037 101.824 89.005 58.101 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 88.1 p -57.23 -28.54 63.0 Favored 'General case' 0 CA--C 1.501 -0.907 0 CA-C-O 117.485 -1.245 . . . . 36.289999999999999 112.544 174.271 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.67 -19.45 64.91 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-N 119.583 1.083 . . . . 38.549999999999997 112.585 177.336 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 59.9 mt -85.06 1.51 47.4 Favored 'General case' 0 N--CA 1.436 -1.174 0 CA-C-N 115.504 -0.771 . . . . 39.640000000000001 109.635 -176.559 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 84.5 mt -110.99 -1.02 16.49 Favored 'General case' 0 N--CA 1.437 -1.095 0 N-CA-C 113.93 1.085 . . . . 37.170000000000002 113.93 -174.55 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.3 t -66.69 159.74 27.11 Favored 'General case' 0 N--CA 1.436 -1.153 0 C-N-CA 124.347 1.059 . . . . 35.649999999999999 112.883 178.848 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.92 -19.99 62.53 Favored 'General case' 0 CA--C 1.499 -0.997 0 CA-C-N 115.521 -0.763 . . . . 42.25 109.423 178.636 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -96.36 116.93 29.82 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-N 114.994 -1.003 . . . . 54.539999999999999 108.648 176.171 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 29.1 pt -80.23 5.57 1.41 Allowed 'Isoleucine or valine' 0 C--O 1.205 -1.279 0 N-CA-C 115.877 1.806 . . . . 34.240000000000002 115.877 -173.418 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' THR . . . . . 0.482 ' OG1' ' HE1' ' A' ' 15' ' ' HIS . 26.4 m -53.61 -50.16 66.28 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 122.66 1.219 . . . . 36.060000000000002 112.493 -174.996 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.02 -42.11 85.47 Favored 'General case' 0 C--N 1.309 -1.168 0 O-C-N 121.616 -0.677 . . . . 35.799999999999997 109.593 -175.882 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.1 m -57.5 -45.46 84.88 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.825 0.345 . . . . 34.780000000000001 111.016 176.663 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.508 HG11 ' HB3' ' A' ' 15' ' ' HIS . 40.3 t -69.09 -48.72 67.81 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.013 0 CA-C-N 114.706 -1.133 . . . . 37.130000000000003 109.075 -175.995 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -65.29 -34.05 77.42 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-O 121.647 0.737 . . . . 39.090000000000003 111.147 -177.02 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 44.0 t -68.76 -40.72 79.6 Favored 'General case' 0 CA--C 1.574 1.866 0 N-CA-C 114.947 1.462 . . . . 33.450000000000003 114.947 172.288 -176.821 58.537 73.046 106.159 2.061 105.692 171.612 -60.667 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -56.51 -41.04 76.03 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 125.238 1.415 . . . . 30.16 114.35 173.656 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -52.14 -43.94 64.3 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 124.631 1.207 . . . . 40.109999999999999 113.874 167.619 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -70.76 -35.33 72.58 Favored 'General case' 0 C--N 1.316 -0.886 0 C-N-CA 118.999 -1.081 . . . . 66.590000000000003 109.002 -179.724 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.548 ' O ' ' HB2' ' A' ' 101' ' ' ASP . 32.9 mt -68.33 -54.03 24.54 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.517 0 O-C-N 122.108 -0.37 . . . . 33.969999999999999 110.334 -176.165 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 9.8 p -65.07 -16.75 20.62 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 N-CA-C 112.593 0.59 . . . . 34.299999999999997 112.593 -175.432 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 20.3 m -87.65 -14.95 38.6 Favored 'General case' 0 C--O 1.203 -1.371 0 C-N-CA 123.886 0.875 . . . . 49.600000000000001 112.217 175.658 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.548 ' HB2' ' O ' ' A' ' 98' ' ' ILE 0.276 0.3 OUTLIER -43.54 -12.92 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 116.235 1.939 . . . . 51.840000000000003 116.235 178.549 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.43 -23.53 34.84 Favored Glycine 0 N--CA 1.481 1.669 0 N-CA-C 117.129 1.612 . . . . 43.840000000000003 117.129 -168.585 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -97.55 -0.08 46.51 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 114.455 1.28 . . . . 54.469999999999999 114.455 175.34 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 62.81 -144.52 49.48 Favored Glycine 0 C--N 1.34 0.76 0 N-CA-C 110.303 -1.119 . . . . 27.920000000000002 110.303 172.037 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 48.0 mtp -78.63 0.22 27.32 Favored 'General case' 0 C--N 1.309 -1.178 0 C-N-CA 117.802 -1.559 . . . . 28.190000000000001 113.02 -176.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -67.62 -19.6 65.25 Favored 'General case' 0 C--O 1.259 1.572 0 C-N-CA 119.678 -0.809 . . . . 33.82 112.311 179.641 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -45.6 -36.42 4.72 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.923 1.289 . . . . 31.920000000000002 110.861 167.232 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 25.9 m-90 -91.67 108.43 19.9 Favored 'General case' 0 C--O 1.26 1.613 0 CA-C-O 122.396 1.093 . . . . 29.640000000000001 110.67 176.148 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.597 HG22 ' NH1' ' A' ' 112' ' ' ARG . 2.2 t -64.47 -37.41 79.96 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.335 0 CA-C-N 114.709 -1.132 . . . . 48.07 108.092 -170.031 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.93 -32.28 70.47 Favored 'General case' 0 N--CA 1.438 -1.046 0 CA-C-N 115.079 -0.964 . . . . 30.16 112.172 178.484 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.447 ' CD1' ' HB2' ' A' ' 115' ' ' CYS . 79.4 t90 -65.41 -53.92 36.16 Favored 'General case' 0 CA--C 1.553 1.065 0 CA-C-O 123.045 1.402 . . . . 30.120000000000001 109.912 176.057 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.597 ' NH1' HG22 ' A' ' 109' ' ' VAL . 22.5 ttp85 -50.81 -47.67 59.91 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 113.772 -1.558 . . . . 75.629999999999995 110.381 179.489 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -85.29 -12.48 52.27 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 114.985 1.476 . . . . 31.5 114.985 -174.563 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.618 ' HD2' ' O ' ' A' ' 547' ' ' HOH . 43.7 mtp180 -135.02 -17.05 1.89 Allowed 'General case' 0 N--CA 1.42 -1.965 0 N-CA-C 117.748 2.499 . . . . 23.98 117.748 -172.854 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.447 ' HB2' ' CD1' ' A' ' 111' ' ' TRP . 72.4 m -113.3 -48.42 2.96 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.575 1.15 . . . . 27.57 112.059 -177.277 -62.012 -70.503 -94.028 103.432 2.072 103.512 -86.901 178.009 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -53.26 129.28 31.03 Favored 'General case' 0 N--CA 1.435 -1.182 0 CA-C-N 114.895 -1.048 . . . . 29.890000000000001 111.51 -174.58 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 81.91 -4.23 76.15 Favored Glycine 0 C--N 1.309 -0.956 0 C-N-CA 119.943 -1.122 . . . . 36.789999999999999 115.157 179.284 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 36.6 p -97.04 173.51 7.23 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-O 122.295 1.045 . . . . 34.810000000000002 109.181 -177.875 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -73.55 73.08 1.43 Allowed 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 115.341 -0.845 . . . . 57.140000000000001 110.637 173.899 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 24.2 m -65.67 -17.88 22.93 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.408 0 N-CA-C 115.072 1.508 . . . . 36.950000000000003 115.072 -175.406 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.478 HE22 HH11 ' A' ' 125' ' ' ARG . 1.2 tm0? -66.14 -27.29 67.93 Favored 'General case' 0 C--O 1.253 1.253 0 O-C-N 121.328 -0.857 . . . . 95.299999999999997 109.983 179.882 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -50.78 -28.35 9.09 Favored 'General case' 0 C--O 1.252 1.19 0 N-CA-C 113.358 0.873 . . . . 33.590000000000003 113.358 170.271 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' TRP . . . . . 0.55 ' CD1' ' HB2' ' A' ' 30' ' ' CYS . 79.8 m95 -72.38 -19.97 61.53 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 112.413 0.523 . . . . 34.979999999999997 112.413 -174.667 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 50.3 pt -110.1 8.82 8.82 Favored 'Isoleucine or valine' 0 C--O 1.256 1.403 0 N-CA-C 115.629 1.714 . . . . 42.960000000000001 115.629 173.843 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.478 HH11 HE22 ' A' ' 121' ' ' GLN . 8.0 ttm180 -52.74 136.19 33.91 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 109.21 -0.663 . . . . 57.729999999999997 109.21 177.952 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 82.1 -15.6 26.8 Favored Glycine 0 N--CA 1.441 -0.999 0 C-N-CA 120.01 -1.091 . . . . 44.969999999999999 114.046 171.209 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 14.9 m -73.91 143.59 45.7 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 118.698 1.249 . . . . 39.990000000000002 113.623 177.719 -46.62 -56.697 -68.908 105.656 2.021 100.938 -56.559 -64.601 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.47 ' HD2' ' O ' ' A' ' 548' ' ' HOH . 1.1 ttm180 -91.05 93.03 8.98 Favored 'General case' 0 C--O 1.251 1.162 0 CA-C-N 113.907 -1.497 . . . . 47.840000000000003 109.073 179.146 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 93.0 mt . . . . . 0 C--N 1.323 -0.548 0 CA-C-N 115.016 -0.993 . . . . 79.079999999999998 109.984 -164.311 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 401' ' ' NO3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 402' ' ' NO3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 403' ' ' NO3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 404' ' ' NO3 . . . . . 1.006 ' O3 ' ' NH2' ' A' ' 21' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 405' ' ' EDO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 406' ' ' EDO . . . . . 0.905 ' H22' ' H ' ' A' ' 6' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 407' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 408' ' ' ' AU' . . . . . 0.628 'AU ' ' O ' ' A' ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 409' ' ' ' AU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 501' ' ' HOH . . . . . 0.628 ' O ' 'AU ' ' A' ' 408' ' ' ' AU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 505' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 506' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 507' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 508' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 509' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 510' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 511' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 512' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 513' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 514' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 515' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 516' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 517' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 518' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 519' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 520' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 521' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 522' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 523' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 524' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 525' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 526' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 527' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 528' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 529' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 530' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 531' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 532' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 533' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 534' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 535' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 536' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 537' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 538' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 539' ' ' HOH . . . . . 0.6 ' O ' ' HB2' ' A' ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 540' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 541' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 542' ' ' HOH . . . . . 0.424 ' O ' ' HB3' ' A' ' 125' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 543' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 544' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 545' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 546' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 547' ' ' HOH . . . . . 0.618 ' O ' ' HD2' ' A' ' 114' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 548' ' ' HOH . . . . . 0.47 ' O ' ' HD2' ' A' ' 128' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 549' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 550' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 551' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 552' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 553' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 554' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 555' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 556' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 557' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 558' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 559' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 560' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 561' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 562' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 563' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 564' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 565' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 566' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 567' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 568' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 569' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 570' ' ' HOH . . . . . 0.443 ' O ' ' NH2' ' A' ' 112' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 571' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 572' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 573' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_