data_4lbb_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 4lbb _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' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.286 0 N-CA-C 109.428 -0.582 . . . . 52.329999999999998 109.428 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 75.0 m -108.35 134.73 50.76 Favored 'General case' 0 C--O 1.246 0.904 0 C-N-CA 119.798 -0.761 . . . . 42.689999999999998 111.752 -174.834 -58.787 -91.395 110.966 106.565 2.014 112.937 -93.25 -56.031 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -128.07 148.83 50.57 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 124.821 1.326 . . . . 59.329999999999998 109.079 -175.358 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 86.3 m -86.95 136.27 32.99 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 106.544 -1.65 . . . . 34.049999999999997 106.544 164.651 -70.546 -84.542 -88.983 108.609 2.048 104.43 -165.368 -39.814 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ARG . . . . . 0.645 ' NH2' ' OE2' ' A' ' 13' ' ' GLU . 44.1 mtt-85 -135.2 137.46 42.67 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-O 122.5 1.143 . . . . 55.549999999999997 111.119 -171.044 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 61.2 mt -115.98 127.16 26.99 Favored Pre-proline 0 C--O 1.261 1.682 0 N-CA-C 104.714 -2.328 . . . . 32.68 104.714 165.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -104.0 -10.04 6.3 Favored 'Cis proline' 0 C--N 1.36 1.146 0 N-CA-C 114.007 0.733 . . . . 35.07 114.007 11.103 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -163.89 158.06 19.42 Favored 'General case' 0 CA--C 1.485 -1.551 0 N-CA-C 112.018 0.377 . . . . 33.990000000000002 112.018 -165.335 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 69.6 m -78.85 151.22 31.98 Favored 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 108.488 -0.93 . . . . 33.530000000000001 108.488 174.307 -58.368 -44.621 -90.718 103.741 2.053 98.118 -70.28 -50.442 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.1 pt -100.35 167.82 1.97 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.291 0 CA-C-N 117.907 0.321 . . . . 47.43 111.194 -179.35 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.6 140.07 58.19 Favored 'General case' 0 CA--C 1.502 -0.892 0 N-CA-C 107.907 -1.146 . . . . 39.399999999999999 107.907 -172.466 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.03 -21.6 45.21 Favored Glycine 0 C--O 1.211 -1.305 0 N-CA-C 107.27 -2.332 . . . . 45.509999999999998 107.27 -176.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' GLU . . . . . 0.645 ' OE2' ' NH2' ' A' ' 5' ' ' ARG . 94.7 mt-10 -100.43 170.12 8.62 Favored 'General case' 0 C--O 1.252 1.217 0 CA-C-N 118.729 1.265 . . . . 42.170000000000002 109.052 170.74 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ARG . . . . . 0.666 ' NH2' ' O ' ' A' ' 213' ' ' HOH . 72.7 mtt85 -131.61 158.81 40.04 Favored 'General case' 0 C--O 1.241 0.618 0 N-CA-C 108.744 -0.836 . . . . 66.510000000000005 108.744 164.46 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -94.17 131.87 39.28 Favored 'General case' 0 C--O 1.246 0.877 0 C-N-CA 119.059 -1.056 . . . . 37.700000000000003 109.971 179.677 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -125.73 71.17 1.22 Allowed 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 121.987 0.899 . . . . 37.75 108.585 -179.103 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.68 -156.09 28.62 Favored Glycine 0 C--O 1.248 1.003 0 C-N-CA 119.225 -1.464 . . . . 35.850000000000001 114.229 -179.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 27.9 m -147.74 146.7 29.31 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 119.417 -0.913 . . . . 33.590000000000003 110.409 -160.163 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.9 m -109.98 144.9 37.85 Favored 'General case' 0 C--O 1.252 1.197 0 N-CA-C 107.936 -1.135 . . . . 32.390000000000001 107.936 171.963 -39.814 -165.368 -88.983 104.43 2.048 108.609 -84.542 -70.546 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -115.3 118.95 34.7 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 105.248 -2.13 . . . . 35.859999999999999 105.248 164.678 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -155.35 133.82 11.8 Favored 'General case' 0 N--CA 1.438 -1.052 0 N-CA-C 106.814 -1.55 . . . . 55.039999999999999 106.814 -173.153 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 53.69 39.55 30.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.975 -0.557 . . . . 68.760000000000005 112.269 177.372 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.05 19.13 69.7 Favored Glycine 0 C--O 1.239 0.457 0 N-CA-C 115.499 0.96 . . . . 51.329999999999998 115.499 175.366 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.8 mmm-85 -128.42 159.53 35.09 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.295 0.569 . . . . 61.799999999999997 109.531 175.289 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 87.7 mt -106.39 145.35 31.84 Favored 'General case' 0 CA--C 1.503 -0.839 0 N-CA-C 107.38 -1.341 . . . . 45.030000000000001 107.38 174.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -133.79 142.88 48.08 Favored 'General case' 0 C--O 1.247 0.973 0 N-CA-C 108.453 -0.943 . . . . 34.869999999999997 108.453 -173.596 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.58 134.56 50.17 Favored 'General case' 0 C--O 1.25 1.1 0 CA-C-O 122.013 0.911 . . . . 30.739999999999998 109.44 163.217 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -90.32 113.68 25.59 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 105.894 -1.891 . . . . 35.549999999999997 105.894 170.418 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 33.0 m -113.17 135.32 53.95 Favored 'General case' 0 C--O 1.243 0.724 0 N-CA-C 113.582 0.956 . . . . 36.289999999999999 113.582 -173.411 -50.442 -70.28 -90.718 98.118 2.053 103.741 -44.621 -58.368 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 60.9 m . . . . . 0 C--O 1.238 0.481 0 N-CA-C 112.488 0.551 . . . . 44.68 112.488 172.384 -56.031 -93.25 110.966 112.937 2.014 106.565 -91.395 -58.787 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.808 0 N-CA-C 109.655 -0.498 . . . . 57.189999999999998 109.655 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 60.3 m -119.52 141.77 48.91 Favored 'General case' 0 CA--C 1.507 -0.691 0 C-N-CA 119.685 -0.806 . . . . 42.009999999999998 110.046 179.843 -55.662 -96.03 106.954 103.858 2.022 118.082 -84.518 -64.704 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -132.25 147.71 52.42 Favored 'General case' 0 C--O 1.251 1.156 0 O-C-N 125.039 1.462 . . . . 63.310000000000002 108.186 -171.632 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' CYS . . . . . . . . . . . . . 71.4 m -87.69 137.44 32.34 Favored 'General case' 0 CA--C 1.551 1.019 0 N-CA-C 105.723 -1.955 . . . . 33.859999999999999 105.723 163.236 -62.656 -89.518 -88.467 104.229 2.032 106.519 -167.489 -38.346 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' ARG . . . . . 0.862 ' NH2' ' OE2' ' B' ' 13' ' ' GLU . 52.9 mtt-85 -135.59 139.75 44.09 Favored 'General case' 0 C--O 1.248 1.02 0 CA-C-O 122.45 1.119 . . . . 63.469999999999999 111.005 -173.971 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 50.6 mt -117.79 129.85 25.08 Favored Pre-proline 0 C--N 1.318 -0.788 0 N-CA-C 103.808 -2.664 . . . . 33.93 103.808 166.016 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -101.17 -11.34 8.31 Favored 'Cis proline' 0 CA--C 1.539 0.774 0 N-CA-C 115.665 1.371 . . . . 34.420000000000002 115.665 8.2 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -163.31 159.45 22.59 Favored 'General case' 0 CA--C 1.461 -2.448 0 CA-C-N 119.353 0.979 . . . . 31.66 111.335 -167.55 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 82.4 m -77.73 151.55 34.09 Favored 'General case' 0 C--O 1.243 0.719 0 N-CA-C 109.753 -0.462 . . . . 34.289999999999999 109.753 174.119 -60.084 -43.992 -88.719 106.983 2.046 101.448 -68.86 -53.652 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 17.3 pt -100.36 166.05 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 N-CA-C 112.573 0.582 . . . . 49.75 112.573 -179.746 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.06 141.06 57.69 Favored 'General case' 0 C--O 1.253 1.239 0 N-CA-C 107.902 -1.148 . . . . 39.020000000000003 107.902 -174.443 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.18 -19.44 54.49 Favored Glycine 0 N--CA 1.436 -1.304 0 C-N-CA 119.083 -1.532 . . . . 44.149999999999999 109.454 -173.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' GLU . . . . . 0.862 ' OE2' ' NH2' ' B' ' 5' ' ' ARG . 90.6 mt-10 -105.57 172.08 6.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 118.327 1.063 . . . . 42.259999999999998 109.238 172.238 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 91.4 mtt-85 -137.46 152.02 49.11 Favored 'General case' 0 CA--C 1.501 -0.927 0 N-CA-C 107.659 -1.237 . . . . 63.82 107.659 169.861 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -91.44 131.49 36.87 Favored 'General case' 0 C--O 1.252 1.235 0 CA-C-O 122.342 1.068 . . . . 40.479999999999997 108.769 179.785 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -124.46 70.56 1.12 Allowed 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 106.365 -1.717 . . . . 40.490000000000002 106.365 -179.053 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 85.86 -154.33 27.91 Favored Glycine 0 CA--C 1.529 0.912 0 C-N-CA 120.422 -0.894 . . . . 34.579999999999998 113.864 178.416 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 86.5 m -144.25 145.02 31.79 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 122.26 -0.553 . . . . 33.759999999999998 111.766 -160.81 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.5 m -108.29 142.7 38.19 Favored 'General case' 0 C--O 1.259 1.568 0 CA-C-N 118.387 0.539 . . . . 32.380000000000003 110.395 169.657 -38.346 -167.489 -88.467 106.519 2.032 104.229 -89.518 -62.656 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -114.99 116.88 29.18 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 106.571 -1.64 . . . . 38.060000000000002 106.571 164.896 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -154.57 136.82 14.84 Favored 'General case' 0 N--CA 1.424 -1.765 0 N-CA-C 104.407 -2.442 . . . . 53.280000000000001 104.407 -174.449 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 51.32 43.02 29.6 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.83 1.048 . . . . 67.090000000000003 113.83 177.941 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.04 14.86 66.53 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 115.764 1.066 . . . . 50.329999999999998 115.764 176.466 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 45.9 mmm-85 -128.0 158.3 38.29 Favored 'General case' 0 CA--C 1.506 -0.727 0 N-CA-C 108.72 -0.844 . . . . 63.759999999999998 108.72 177.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 85.2 mt -101.71 143.75 31.26 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-O 121.559 0.695 . . . . 46.920000000000002 109.181 171.556 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' TRP . . . . . . . . . . . . . 8.6 m95 -133.03 141.51 48.29 Favored 'General case' 0 C--O 1.248 1.02 0 CA-C-N 114.676 -1.147 . . . . 37.18 108.772 -173.757 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.8 136.32 50.7 Favored 'General case' 0 C--O 1.254 1.301 0 N-CA-C 108.412 -0.959 . . . . 30.16 108.412 165.723 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -93.16 116.8 29.37 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 106.676 -1.602 . . . . 35.100000000000001 106.676 170.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 55.9 m -116.9 135.63 53.57 Favored 'General case' 0 C--O 1.253 1.242 0 CA-C-O 121.573 0.701 . . . . 35.850000000000001 111.384 -167.782 -53.652 -68.86 -88.719 101.448 2.046 106.983 -43.992 -60.084 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 88.6 m . . . . . 0 C--N 1.318 -0.78 0 C-N-CA 119.673 -0.811 . . . . 39.329999999999998 112.77 176.062 -64.704 -84.518 106.954 118.082 2.022 103.858 -96.03 -55.662 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ' CL' . . . . . 0.795 'CL ' ' O ' ' A' ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' ' CL' . . . . . 0.431 'CL ' ' O ' ' B' ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' ' CL' . . . . . 0.409 'CL ' ' O ' ' B' ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' ' CL' . . . . . 0.975 'CL ' ' O ' ' A' ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . 0.795 ' O ' 'CL ' ' A' ' 101' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . 0.975 ' O ' 'CL ' ' B' ' 104' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . 0.666 ' O ' ' NH2' ' A' ' 14' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 210' ' ' HOH . . . . . 0.431 ' O ' 'CL ' ' B' ' 101' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 211' ' ' HOH . . . . . 0.409 ' O ' 'CL ' ' B' ' 103' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.286 0 N-CA-C 109.428 -0.582 . . . . 52.329999999999998 109.428 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 75.0 m -108.35 134.73 50.76 Favored 'General case' 0 C--O 1.246 0.904 0 C-N-CA 119.798 -0.761 . . . . 42.689999999999998 111.752 -174.834 -58.787 -91.395 110.966 106.565 2.014 112.937 -93.25 -56.031 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -128.07 148.83 50.57 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 124.821 1.326 . . . . 59.329999999999998 109.079 -175.358 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 86.3 m -86.95 136.27 32.99 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 106.544 -1.65 . . . . 34.049999999999997 106.544 164.651 -70.546 -84.542 -88.983 108.609 2.048 104.43 -165.368 -39.814 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ARG . . . . . 0.567 ' NH2' ' OE2' ' A' ' 13' ' ' GLU . 44.1 mtt-85 -135.2 137.46 42.67 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-O 122.5 1.143 . . . . 55.549999999999997 111.119 -171.044 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ILE . . . . . 0.477 HG13 ' CE3' ' A' ' 26' ' ' TRP . 61.2 mt -115.98 127.16 26.99 Favored Pre-proline 0 C--O 1.261 1.682 0 N-CA-C 104.714 -2.328 . . . . 32.68 104.714 165.682 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -104.0 -10.04 6.3 Favored 'Cis proline' 0 C--N 1.36 1.146 0 N-CA-C 114.007 0.733 . . . . 35.07 114.007 11.103 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -163.89 158.06 19.42 Favored 'General case' 0 CA--C 1.485 -1.551 0 N-CA-C 112.018 0.377 . . . . 33.990000000000002 112.018 -165.335 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 69.6 m -78.85 151.22 31.98 Favored 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 108.488 -0.93 . . . . 33.530000000000001 108.488 174.307 -58.368 -44.621 -90.718 103.741 2.053 98.118 -70.28 -50.442 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.1 pt -100.35 167.82 1.97 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.291 0 CA-C-N 117.907 0.321 . . . . 47.43 111.194 -179.35 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.6 140.07 58.19 Favored 'General case' 0 CA--C 1.502 -0.892 0 N-CA-C 107.907 -1.146 . . . . 39.399999999999999 107.907 -172.466 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.03 -21.6 45.21 Favored Glycine 0 C--O 1.211 -1.305 0 N-CA-C 107.27 -2.332 . . . . 45.509999999999998 107.27 -176.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' GLU . . . . . 0.567 ' OE2' ' NH2' ' A' ' 5' ' ' ARG . 94.7 mt-10 -100.43 170.12 8.62 Favored 'General case' 0 C--O 1.252 1.217 0 CA-C-N 118.729 1.265 . . . . 42.170000000000002 109.052 170.74 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ARG . . . . . 0.666 ' NH2' ' O ' ' A' ' 213' ' ' HOH . 72.7 mtt85 -131.61 158.81 40.04 Favored 'General case' 0 C--O 1.241 0.618 0 N-CA-C 108.744 -0.836 . . . . 66.510000000000005 108.744 164.46 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -94.17 131.87 39.28 Favored 'General case' 0 C--O 1.246 0.877 0 C-N-CA 119.059 -1.056 . . . . 37.700000000000003 109.971 179.677 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -125.73 71.17 1.22 Allowed 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 121.987 0.899 . . . . 37.75 108.585 -179.103 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.68 -156.09 28.62 Favored Glycine 0 C--O 1.248 1.003 0 C-N-CA 119.225 -1.464 . . . . 35.850000000000001 114.229 -179.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 27.9 m -147.74 146.7 29.31 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 119.417 -0.913 . . . . 33.590000000000003 110.409 -160.163 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.9 m -109.98 144.9 37.85 Favored 'General case' 0 C--O 1.252 1.197 0 N-CA-C 107.936 -1.135 . . . . 32.390000000000001 107.936 171.963 -39.814 -165.368 -88.983 104.43 2.048 108.609 -84.542 -70.546 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -115.3 118.95 34.7 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 105.248 -2.13 . . . . 35.859999999999999 105.248 164.678 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -155.35 133.82 11.8 Favored 'General case' 0 N--CA 1.438 -1.052 0 N-CA-C 106.814 -1.55 . . . . 55.039999999999999 106.814 -173.153 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 53.69 39.55 30.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.975 -0.557 . . . . 68.760000000000005 112.269 177.372 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.05 19.13 69.7 Favored Glycine 0 C--O 1.239 0.457 0 N-CA-C 115.499 0.96 . . . . 51.329999999999998 115.499 175.366 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.8 mmm-85 -128.42 159.53 35.09 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.295 0.569 . . . . 61.799999999999997 109.531 175.289 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 87.7 mt -106.39 145.35 31.84 Favored 'General case' 0 CA--C 1.503 -0.839 0 N-CA-C 107.38 -1.341 . . . . 45.030000000000001 107.38 174.741 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' TRP . . . . . 0.477 ' CE3' HG13 ' A' ' 6' ' ' ILE . 17.4 m95 -133.79 142.88 48.08 Favored 'General case' 0 C--O 1.247 0.973 0 N-CA-C 108.453 -0.943 . . . . 34.869999999999997 108.453 -173.596 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.58 134.56 50.17 Favored 'General case' 0 C--O 1.25 1.1 0 CA-C-O 122.013 0.911 . . . . 30.739999999999998 109.44 163.217 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -90.32 113.68 25.59 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 105.894 -1.891 . . . . 35.549999999999997 105.894 170.418 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 33.0 m -113.17 135.32 53.95 Favored 'General case' 0 C--O 1.243 0.724 0 N-CA-C 113.582 0.956 . . . . 36.289999999999999 113.582 -173.411 -50.442 -70.28 -90.718 98.118 2.053 103.741 -44.621 -58.368 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 60.9 m . . . . . 0 C--O 1.238 0.481 0 N-CA-C 112.488 0.551 . . . . 44.68 112.488 172.384 -56.031 -93.25 110.966 112.937 2.014 106.565 -91.395 -58.787 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.808 0 N-CA-C 109.655 -0.498 . . . . 57.189999999999998 109.655 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 60.3 m -119.52 141.77 48.91 Favored 'General case' 0 CA--C 1.507 -0.691 0 C-N-CA 119.685 -0.806 . . . . 42.009999999999998 110.046 179.843 -55.662 -96.03 106.954 103.858 2.022 118.082 -84.518 -64.704 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -132.25 147.71 52.42 Favored 'General case' 0 C--O 1.251 1.156 0 O-C-N 125.039 1.462 . . . . 63.310000000000002 108.186 -171.632 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' CYS . . . . . . . . . . . . . 71.4 m -87.69 137.44 32.34 Favored 'General case' 0 CA--C 1.551 1.019 0 N-CA-C 105.723 -1.955 . . . . 33.859999999999999 105.723 163.236 -62.656 -89.518 -88.467 104.229 2.032 106.519 -167.489 -38.346 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' ARG . . . . . 0.848 ' NH2' ' OE2' ' B' ' 13' ' ' GLU . 52.9 mtt-85 -135.59 139.75 44.09 Favored 'General case' 0 C--O 1.248 1.02 0 CA-C-O 122.45 1.119 . . . . 63.469999999999999 111.005 -173.971 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 50.6 mt -117.79 129.85 25.08 Favored Pre-proline 0 C--N 1.318 -0.788 0 N-CA-C 103.808 -2.664 . . . . 33.93 103.808 166.016 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -101.17 -11.34 8.31 Favored 'Cis proline' 0 CA--C 1.539 0.774 0 N-CA-C 115.665 1.371 . . . . 34.420000000000002 115.665 8.2 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -163.31 159.45 22.59 Favored 'General case' 0 CA--C 1.461 -2.448 0 CA-C-N 119.353 0.979 . . . . 31.66 111.335 -167.55 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 82.4 m -77.73 151.55 34.09 Favored 'General case' 0 C--O 1.243 0.719 0 N-CA-C 109.753 -0.462 . . . . 34.289999999999999 109.753 174.119 -60.084 -43.992 -88.719 106.983 2.046 101.448 -68.86 -53.652 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 17.3 pt -100.36 166.05 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 N-CA-C 112.573 0.582 . . . . 49.75 112.573 -179.746 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.06 141.06 57.69 Favored 'General case' 0 C--O 1.253 1.239 0 N-CA-C 107.902 -1.148 . . . . 39.020000000000003 107.902 -174.443 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.18 -19.44 54.49 Favored Glycine 0 N--CA 1.436 -1.304 0 C-N-CA 119.083 -1.532 . . . . 44.149999999999999 109.454 -173.004 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' GLU . . . . . 0.848 ' OE2' ' NH2' ' B' ' 5' ' ' ARG . 90.6 mt-10 -105.57 172.08 6.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 118.327 1.063 . . . . 42.259999999999998 109.238 172.238 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 91.4 mtt-85 -137.46 152.02 49.11 Favored 'General case' 0 CA--C 1.501 -0.927 0 N-CA-C 107.659 -1.237 . . . . 63.82 107.659 169.861 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -91.44 131.49 36.87 Favored 'General case' 0 C--O 1.252 1.235 0 CA-C-O 122.342 1.068 . . . . 40.479999999999997 108.769 179.785 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' TYR . . . . . 0.449 ' CE2' ' HB2' ' B' ' 30' ' ' CYS . 97.3 m-85 -124.46 70.56 1.12 Allowed 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 106.365 -1.717 . . . . 40.490000000000002 106.365 -179.053 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 85.86 -154.33 27.91 Favored Glycine 0 CA--C 1.529 0.912 0 C-N-CA 120.422 -0.894 . . . . 34.579999999999998 113.864 178.416 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 86.5 m -144.25 145.02 31.79 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 122.26 -0.553 . . . . 33.759999999999998 111.766 -160.81 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' CYS . . . . . 0.402 ' HB2' ' HB2' ' B' ' 26' ' ' TRP . 3.5 m -108.29 142.7 38.19 Favored 'General case' 0 C--O 1.259 1.568 0 CA-C-N 118.387 0.539 . . . . 32.380000000000003 110.395 169.657 -38.346 -167.489 -88.467 106.519 2.032 104.229 -89.518 -62.656 2 2 . 1 . 001 ecloud build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -114.99 116.88 29.18 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 106.571 -1.64 . . . . 38.060000000000002 106.571 164.896 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -154.57 136.82 14.84 Favored 'General case' 0 N--CA 1.424 -1.765 0 N-CA-C 104.407 -2.442 . . . . 53.280000000000001 104.407 -174.449 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 51.32 43.02 29.6 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.83 1.048 . . . . 67.090000000000003 113.83 177.941 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.04 14.86 66.53 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 115.764 1.066 . . . . 50.329999999999998 115.764 176.466 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 45.9 mmm-85 -128.0 158.3 38.29 Favored 'General case' 0 CA--C 1.506 -0.727 0 N-CA-C 108.72 -0.844 . . . . 63.759999999999998 108.72 177.265 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 85.2 mt -101.71 143.75 31.26 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-O 121.559 0.695 . . . . 46.920000000000002 109.181 171.556 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' TRP . . . . . 0.402 ' HB2' ' HB2' ' B' ' 19' ' ' CYS . 8.6 m95 -133.03 141.51 48.29 Favored 'General case' 0 C--O 1.248 1.02 0 CA-C-N 114.676 -1.147 . . . . 37.18 108.772 -173.757 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.8 136.32 50.7 Favored 'General case' 0 C--O 1.254 1.301 0 N-CA-C 108.412 -0.959 . . . . 30.16 108.412 165.723 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -93.16 116.8 29.37 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 106.676 -1.602 . . . . 35.100000000000001 106.676 170.912 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 55.9 m -116.9 135.63 53.57 Favored 'General case' 0 C--O 1.253 1.242 0 CA-C-O 121.573 0.701 . . . . 35.850000000000001 111.384 -167.782 -53.652 -68.86 -88.719 101.448 2.046 106.983 -43.992 -60.084 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' CYS . . . . . 0.449 ' HB2' ' CE2' ' B' ' 16' ' ' TYR . 88.6 m . . . . . 0 C--N 1.318 -0.78 0 C-N-CA 119.673 -0.811 . . . . 39.329999999999998 112.77 176.062 -64.704 -84.518 106.954 118.082 2.022 103.858 -96.03 -55.662 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ' CL' . . . . . 0.795 'CL ' ' O ' ' A' ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 101' ' ' ' CL' . . . . . 0.431 'CL ' ' O ' ' B' ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 102' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 103' ' ' ' CL' . . . . . 0.409 'CL ' ' O ' ' B' ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 104' ' ' ' CL' . . . . . 0.975 'CL ' ' O ' ' A' ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 105' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . 0.795 ' O ' 'CL ' ' A' ' 101' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . 0.975 ' O ' 'CL ' ' B' ' 104' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . 0.666 ' O ' ' NH2' ' A' ' 14' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 210' ' ' HOH . . . . . 0.431 ' O ' 'CL ' ' B' ' 101' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 211' ' ' HOH . . . . . 0.409 ' O ' 'CL ' ' B' ' 103' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.286 0 N-CA-C 109.428 -0.582 . . . . 52.329999999999998 109.428 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 75.0 m -108.35 134.73 50.76 Favored 'General case' 0 C--O 1.246 0.904 0 C-N-CA 119.798 -0.761 . . . . 42.689999999999998 111.752 -174.834 -58.787 -91.395 110.966 106.565 2.014 112.937 -93.25 -56.031 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -128.07 148.83 50.57 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 124.821 1.326 . . . . 59.329999999999998 109.079 -175.358 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 86.3 m -86.95 136.27 32.99 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 106.544 -1.65 . . . . 34.049999999999997 106.544 164.651 -70.546 -84.542 -88.983 108.609 2.048 104.43 -165.368 -39.814 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.567 ' NH2' ' OE2' ' A' ' 13' ' ' GLU . 44.1 mtt-85 -135.2 137.46 42.67 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-O 122.5 1.143 . . . . 55.549999999999997 111.119 -171.044 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.477 HG13 ' CE3' ' A' ' 26' ' ' TRP . 61.2 mt -115.98 127.16 26.99 Favored Pre-proline 0 C--O 1.261 1.682 0 N-CA-C 104.714 -2.328 . . . . 32.68 104.714 165.682 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -104.0 -10.04 6.3 Favored 'Cis proline' 0 C--N 1.36 1.146 0 N-CA-C 114.007 0.733 . . . . 35.07 114.007 11.103 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -163.89 158.06 19.42 Favored 'General case' 0 CA--C 1.485 -1.551 0 N-CA-C 112.018 0.377 . . . . 33.990000000000002 112.018 -165.335 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 69.6 m -78.85 151.22 31.98 Favored 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 108.488 -0.93 . . . . 33.530000000000001 108.488 174.307 -58.368 -44.621 -90.718 103.741 2.053 98.118 -70.28 -50.442 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.1 pt -100.35 167.82 1.97 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.291 0 CA-C-N 117.907 0.321 . . . . 47.43 111.194 -179.35 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.6 140.07 58.19 Favored 'General case' 0 CA--C 1.502 -0.892 0 N-CA-C 107.907 -1.146 . . . . 39.399999999999999 107.907 -172.466 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.03 -21.6 45.21 Favored Glycine 0 C--O 1.211 -1.305 0 N-CA-C 107.27 -2.332 . . . . 45.509999999999998 107.27 -176.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.567 ' OE2' ' NH2' ' A' ' 5' ' ' ARG . 94.7 mt-10 -100.43 170.12 8.62 Favored 'General case' 0 C--O 1.252 1.217 0 CA-C-N 118.729 1.265 . . . . 42.170000000000002 109.052 170.74 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.666 ' NH2' ' O ' ' A' ' 213' ' ' HOH . 72.7 mtt85 -131.61 158.81 40.04 Favored 'General case' 0 C--O 1.241 0.618 0 N-CA-C 108.744 -0.836 . . . . 66.510000000000005 108.744 164.46 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -94.17 131.87 39.28 Favored 'General case' 0 C--O 1.246 0.877 0 C-N-CA 119.059 -1.056 . . . . 37.700000000000003 109.971 179.677 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -125.73 71.17 1.22 Allowed 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 121.987 0.899 . . . . 37.75 108.585 -179.103 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.68 -156.09 28.62 Favored Glycine 0 C--O 1.248 1.003 0 C-N-CA 119.225 -1.464 . . . . 35.850000000000001 114.229 -179.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 27.9 m -147.74 146.7 29.31 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 119.417 -0.913 . . . . 33.590000000000003 110.409 -160.163 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.9 m -109.98 144.9 37.85 Favored 'General case' 0 C--O 1.252 1.197 0 N-CA-C 107.936 -1.135 . . . . 32.390000000000001 107.936 171.963 -39.814 -165.368 -88.983 104.43 2.048 108.609 -84.542 -70.546 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -115.3 118.95 34.7 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 105.248 -2.13 . . . . 35.859999999999999 105.248 164.678 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -155.35 133.82 11.8 Favored 'General case' 0 N--CA 1.438 -1.052 0 N-CA-C 106.814 -1.55 . . . . 55.039999999999999 106.814 -173.153 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 53.69 39.55 30.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.975 -0.557 . . . . 68.760000000000005 112.269 177.372 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.05 19.13 69.7 Favored Glycine 0 C--O 1.239 0.457 0 N-CA-C 115.499 0.96 . . . . 51.329999999999998 115.499 175.366 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.8 mmm-85 -128.42 159.53 35.09 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.295 0.569 . . . . 61.799999999999997 109.531 175.289 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 87.7 mt -106.39 145.35 31.84 Favored 'General case' 0 CA--C 1.503 -0.839 0 N-CA-C 107.38 -1.341 . . . . 45.030000000000001 107.38 174.741 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.477 ' CE3' HG13 ' A' ' 6' ' ' ILE . 17.4 m95 -133.79 142.88 48.08 Favored 'General case' 0 C--O 1.247 0.973 0 N-CA-C 108.453 -0.943 . . . . 34.869999999999997 108.453 -173.596 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.58 134.56 50.17 Favored 'General case' 0 C--O 1.25 1.1 0 CA-C-O 122.013 0.911 . . . . 30.739999999999998 109.44 163.217 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -90.32 113.68 25.59 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 105.894 -1.891 . . . . 35.549999999999997 105.894 170.418 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 33.0 m -113.17 135.32 53.95 Favored 'General case' 0 C--O 1.243 0.724 0 N-CA-C 113.582 0.956 . . . . 36.289999999999999 113.582 -173.411 -50.442 -70.28 -90.718 98.118 2.053 103.741 -44.621 -58.368 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 60.9 m . . . . . 0 C--O 1.238 0.481 0 N-CA-C 112.488 0.551 . . . . 44.68 112.488 172.384 -56.031 -93.25 110.966 112.937 2.014 106.565 -91.395 -58.787 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.808 0 N-CA-C 109.655 -0.498 . . . . 57.189999999999998 109.655 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 60.3 m -119.52 141.77 48.91 Favored 'General case' 0 CA--C 1.507 -0.691 0 C-N-CA 119.685 -0.806 . . . . 42.009999999999998 110.046 179.843 -55.662 -96.03 106.954 103.858 2.022 118.082 -84.518 -64.704 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -132.25 147.71 52.42 Favored 'General case' 0 C--O 1.251 1.156 0 O-C-N 125.039 1.462 . . . . 63.310000000000002 108.186 -171.632 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' CYS . . . . . . . . . . . . . 71.4 m -87.69 137.44 32.34 Favored 'General case' 0 CA--C 1.551 1.019 0 N-CA-C 105.723 -1.955 . . . . 33.859999999999999 105.723 163.236 -62.656 -89.518 -88.467 104.229 2.032 106.519 -167.489 -38.346 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.848 ' NH2' ' OE2' ' B' ' 13' ' ' GLU . 52.9 mtt-85 -135.59 139.75 44.09 Favored 'General case' 0 C--O 1.248 1.02 0 CA-C-O 122.45 1.119 . . . . 63.469999999999999 111.005 -173.971 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 50.6 mt -117.79 129.85 25.08 Favored Pre-proline 0 C--N 1.318 -0.788 0 N-CA-C 103.808 -2.664 . . . . 33.93 103.808 166.016 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -101.17 -11.34 8.31 Favored 'Cis proline' 0 CA--C 1.539 0.774 0 N-CA-C 115.665 1.371 . . . . 34.420000000000002 115.665 8.2 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -163.31 159.45 22.59 Favored 'General case' 0 CA--C 1.461 -2.448 0 CA-C-N 119.353 0.979 . . . . 31.66 111.335 -167.55 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 82.4 m -77.73 151.55 34.09 Favored 'General case' 0 C--O 1.243 0.719 0 N-CA-C 109.753 -0.462 . . . . 34.289999999999999 109.753 174.119 -60.084 -43.992 -88.719 106.983 2.046 101.448 -68.86 -53.652 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 17.3 pt -100.36 166.05 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 N-CA-C 112.573 0.582 . . . . 49.75 112.573 -179.746 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.06 141.06 57.69 Favored 'General case' 0 C--O 1.253 1.239 0 N-CA-C 107.902 -1.148 . . . . 39.020000000000003 107.902 -174.443 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.18 -19.44 54.49 Favored Glycine 0 N--CA 1.436 -1.304 0 C-N-CA 119.083 -1.532 . . . . 44.149999999999999 109.454 -173.004 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.848 ' OE2' ' NH2' ' B' ' 5' ' ' ARG . 90.6 mt-10 -105.57 172.08 6.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 118.327 1.063 . . . . 42.259999999999998 109.238 172.238 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 91.4 mtt-85 -137.46 152.02 49.11 Favored 'General case' 0 CA--C 1.501 -0.927 0 N-CA-C 107.659 -1.237 . . . . 63.82 107.659 169.861 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -91.44 131.49 36.87 Favored 'General case' 0 C--O 1.252 1.235 0 CA-C-O 122.342 1.068 . . . . 40.479999999999997 108.769 179.785 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' TYR . . . . . 0.449 ' CE2' ' HB2' ' B' ' 30' ' ' CYS . 97.3 m-85 -124.46 70.56 1.12 Allowed 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 106.365 -1.717 . . . . 40.490000000000002 106.365 -179.053 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 85.86 -154.33 27.91 Favored Glycine 0 CA--C 1.529 0.912 0 C-N-CA 120.422 -0.894 . . . . 34.579999999999998 113.864 178.416 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 86.5 m -144.25 145.02 31.79 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 122.26 -0.553 . . . . 33.759999999999998 111.766 -160.81 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' CYS . . . . . 0.402 ' HB2' ' HB2' ' B' ' 26' ' ' TRP . 3.5 m -108.29 142.7 38.19 Favored 'General case' 0 C--O 1.259 1.568 0 CA-C-N 118.387 0.539 . . . . 32.380000000000003 110.395 169.657 -38.346 -167.489 -88.467 106.519 2.032 104.229 -89.518 -62.656 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -114.99 116.88 29.18 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 106.571 -1.64 . . . . 38.060000000000002 106.571 164.896 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -154.57 136.82 14.84 Favored 'General case' 0 N--CA 1.424 -1.765 0 N-CA-C 104.407 -2.442 . . . . 53.280000000000001 104.407 -174.449 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 51.32 43.02 29.6 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.83 1.048 . . . . 67.090000000000003 113.83 177.941 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.04 14.86 66.53 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 115.764 1.066 . . . . 50.329999999999998 115.764 176.466 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 45.9 mmm-85 -128.0 158.3 38.29 Favored 'General case' 0 CA--C 1.506 -0.727 0 N-CA-C 108.72 -0.844 . . . . 63.759999999999998 108.72 177.265 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 85.2 mt -101.71 143.75 31.26 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-O 121.559 0.695 . . . . 46.920000000000002 109.181 171.556 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' TRP . . . . . 0.402 ' HB2' ' HB2' ' B' ' 19' ' ' CYS . 8.6 m95 -133.03 141.51 48.29 Favored 'General case' 0 C--O 1.248 1.02 0 CA-C-N 114.676 -1.147 . . . . 37.18 108.772 -173.757 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.8 136.32 50.7 Favored 'General case' 0 C--O 1.254 1.301 0 N-CA-C 108.412 -0.959 . . . . 30.16 108.412 165.723 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -93.16 116.8 29.37 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 106.676 -1.602 . . . . 35.100000000000001 106.676 170.912 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 55.9 m -116.9 135.63 53.57 Favored 'General case' 0 C--O 1.253 1.242 0 CA-C-O 121.573 0.701 . . . . 35.850000000000001 111.384 -167.782 -53.652 -68.86 -88.719 101.448 2.046 106.983 -43.992 -60.084 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' CYS . . . . . 0.449 ' HB2' ' CE2' ' B' ' 16' ' ' TYR . 88.6 m . . . . . 0 C--N 1.318 -0.78 0 C-N-CA 119.673 -0.811 . . . . 39.329999999999998 112.77 176.062 -64.704 -84.518 106.954 118.082 2.022 103.858 -96.03 -55.662 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ' CL' . . . . . 0.795 'CL ' ' O ' ' A' ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' ' CL' . . . . . 0.431 'CL ' ' O ' ' B' ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' ' CL' . . . . . 0.409 'CL ' ' O ' ' B' ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' ' CL' . . . . . 0.975 'CL ' ' O ' ' A' ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . 0.795 ' O ' 'CL ' ' A' ' 101' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . 0.975 ' O ' 'CL ' ' B' ' 104' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . 0.666 ' O ' ' NH2' ' A' ' 14' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 210' ' ' HOH . . . . . 0.431 ' O ' 'CL ' ' B' ' 101' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 211' ' ' HOH . . . . . 0.409 ' O ' 'CL ' ' B' ' 103' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_