data_1w5j_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 1w5j _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' ' ' TYZ . . . . . 0.78 ' C5 ' ' C9 ' ' A' ' 1' ' ' TYZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 68.9 mtm-85 . . . . . 0 CA--C 1.488 -1.405 0 N-CA-C 107.898 -1.149 . . . . 67.379999999999995 107.898 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 49.1 tpp -53.15 -36.41 60.83 Favored 'General case' 0 N--CA 1.396 -3.135 0 CA-C-N 112.489 -2.141 . . . . 42.18 109.383 173.218 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.2 tpp180 -61.86 -37.94 86.41 Favored 'General case' 0 N--CA 1.533 3.675 0 O-C-N 118.899 -2.375 . . . . 67.040000000000006 111.72 177.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -63.41 -44.44 94.62 Favored 'General case' 0 C--O 1.264 1.831 0 N-CA-C 115.092 1.516 . . . . 53.590000000000003 115.092 174.54 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.0 mt -60.47 -43.54 94.44 Favored 'Isoleucine or valine' 1 C--O 1.152 -4.074 0 CA-C-O 122.468 1.128 . . . . 32.310000000000002 113.023 172.153 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -66.96 -41.08 87.49 Favored 'General case' 0 C--N 1.298 -1.648 0 C-N-CA 118.457 -1.297 . . . . 45.609999999999999 110.785 -176.544 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -62.33 -38.28 88.85 Favored 'General case' 0 CA--C 1.448 -2.95 0 C-N-CA 118.33 -1.348 . . . . 36.780000000000001 114.622 172.905 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.5 tpp85 -59.83 -45.23 93.06 Favored 'General case' 0 C--O 1.252 1.203 0 CA-C-O 124.332 2.015 . . . . 62.18 113.156 176.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 35.7 mt -58.5 -46.03 87.55 Favored 'General case' 0 C--N 1.281 -2.404 0 CA-C-N 113.558 -1.656 . . . . 29.43 110.83 173.553 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -65.82 -38.45 88.98 Favored 'General case' 0 C--O 1.304 3.926 0 O-C-N 120.108 -1.62 . . . . 41.780000000000001 109.918 -179.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -65.0 -33.12 75.28 Favored 'General case' 0 C--O 1.187 -2.207 0 C-N-CA 116.251 -2.18 . . . . 37.939999999999998 112.051 174.169 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.5 mt -64.52 -43.21 96.84 Favored 'Isoleucine or valine' 0 C--O 1.178 -2.705 0 CA-C-O 123.483 1.611 . . . . 29.879999999999999 109.462 178.078 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -43.98 97.39 Favored 'General case' 0 C--N 1.283 -2.287 0 O-C-N 120.73 -1.231 . . . . 33.549999999999997 111.301 179.53 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 68.7 m -59.2 -45.65 90.51 Favored 'General case' 0 C--O 1.249 1.057 0 N-CA-C 106.211 -1.774 . . . . 30.289999999999999 106.211 -178.46 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -63.82 -40.82 97.53 Favored 'General case' 0 C--O 1.291 3.286 0 O-C-N 125.377 1.673 . . . . 37.18 114.495 -175.27 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.7 mt -66.23 -39.64 89.69 Favored 'General case' 0 CA--C 1.565 1.555 0 CA-C-N 113.663 -1.608 . . . . 31.620000000000001 113.508 176.473 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -64.61 -39.03 92.99 Favored 'General case' 0 C--O 1.199 -1.571 0 C-N-CA 117.71 -1.596 . . . . 54.060000000000002 107.014 178.066 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -62.29 -48.18 81.04 Favored 'General case' 0 C--O 1.202 -1.442 0 N-CA-C 114.547 1.314 . . . . 42.710000000000001 114.547 174.068 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.7 mt -53.11 -43.0 47.62 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.367 0 O-C-N 121.404 -0.81 . . . . 36.340000000000003 109.385 173.582 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 75.4 m -65.09 -45.08 86.71 Favored 'General case' 0 C--O 1.251 1.174 0 CA-C-O 122.062 0.934 . . . . 33.43 111.384 -177.109 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -54.1 -45.25 71.8 Favored 'General case' 0 C--N 1.31 -1.152 0 N-CA-C 114.837 1.421 . . . . 43.689999999999998 114.837 171.715 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -60.85 -41.84 96.67 Favored 'General case' 0 C--O 1.204 -1.294 0 C-N-CA 124.223 1.009 . . . . 49.509999999999998 113.317 171.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 42.9 mt -67.73 -38.77 83.99 Favored 'General case' 0 C--O 1.272 2.265 0 C-N-CA 116.732 -1.987 . . . . 34.210000000000001 111.55 176.496 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.78 -38.84 92.23 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 119.84 -0.744 . . . . 33.75 109.95 179.876 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.8 ttp85 -63.22 -42.39 99.26 Favored 'General case' 0 C--O 1.166 -3.291 0 N-CA-C 113.449 0.907 . . . . 58.039999999999999 113.449 174.293 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 57.1 mt -57.59 -46.07 86.29 Favored 'Isoleucine or valine' 0 C--O 1.158 -3.732 0 CA-C-O 122.17 0.986 . . . . 36.350000000000001 112.102 173.667 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.4 ttt-85 -55.4 -46.28 76.62 Favored 'General case' 0 N--CA 1.39 -3.425 0 O-C-N 120.037 -1.664 . . . . 47.079999999999998 111.825 178.697 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . . . -68.47 -37.18 79.93 Favored 'General case' 0 CA--C 1.488 -1.435 0 C-N-CA 127.281 2.232 . . . . 44.700000000000003 109.874 -177.772 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 40.1 mt -63.98 -42.77 97.13 Favored 'General case' 0 CA--C 1.483 -1.598 0 N-CA-C 107.799 -1.185 . . . . 37.909999999999997 107.799 173.572 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.1 mt -62.46 -37.49 86.15 Favored 'General case' 0 CA--C 1.571 1.768 0 CA-C-O 123.676 1.703 . . . . 43.979999999999997 109.187 -175.724 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -73.21 -15.91 78.7 Favored Glycine 0 N--CA 1.426 -1.978 0 CA-C-N 113.502 -1.681 . . . . 46.009999999999998 114.96 -178.851 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -103.94 8.99 36.88 Favored 'General case' 0 CA--C 1.486 -1.494 0 N-CA-C 113.619 0.97 . . . . 60.880000000000003 113.619 -178.663 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 62.0 mtp85 . . . . . 0 C--O 1.202 -1.407 0 N-CA-C 115.757 1.762 . . . . 54.189999999999998 115.757 175.013 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.193 -1.899 0 CA-C-O 116.36 -1.781 . . . . 46.229999999999997 114.746 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 49.7 tpp -62.6 -41.14 98.79 Favored 'General case' 0 CA--C 1.625 3.857 0 CA-C-N 122.676 2.489 . . . . 42.520000000000003 111.243 -179.831 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . . . -54.5 -37.98 65.95 Favored 'General case' 0 N--CA 1.413 -2.305 0 N-CA-C 114.502 1.297 . . . . 42.270000000000003 114.502 169.383 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -71.97 -38.95 69.63 Favored 'General case' 0 CA--C 1.586 2.35 0 O-C-N 120.462 -1.398 . . . . 56.270000000000003 112.174 175.105 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 66.0 mt -64.06 -41.36 92.21 Favored 'Isoleucine or valine' 0 C--O 1.172 -2.977 0 O-C-N 120.423 -1.423 . . . . 36.880000000000003 107.97 178.594 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -60.08 -43.53 95.42 Favored 'General case' 0 C--O 1.169 -3.18 0 O-C-N 121.052 -1.03 . . . . 57.729999999999997 112.625 178.828 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -63.74 -40.75 97.5 Favored 'General case' 0 C--O 1.189 -2.113 0 C-N-CA 124.085 0.954 . . . . 41.439999999999998 109.613 176.827 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -66.08 -38.74 89.05 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.228 -0.989 . . . . 40.840000000000003 110.743 179.312 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 74.2 mt -60.07 -41.87 93.34 Favored 'General case' 0 N--CA 1.505 2.284 0 CA-C-N 115.988 -0.551 . . . . 36.049999999999997 109.577 174.552 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -63.64 -40.78 97.75 Favored 'General case' 0 CA--C 1.577 2.002 0 N-CA-C 115.973 1.842 . . . . 41.43 115.973 174.729 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -64.79 -39.76 94.14 Favored 'General case' 0 C--O 1.204 -1.291 0 N-CA-C 108.662 -0.866 . . . . 43.770000000000003 108.662 176.668 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 89.1 mt -60.37 -53.34 50.11 Favored 'Isoleucine or valine' 1 C--O 1.143 -4.53 0 O-C-N 120.34 -1.475 . . . . 32.630000000000003 113.029 174.356 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 25.1 mt -42.46 -49.55 5.27 Favored 'General case' 0 CA--C 1.478 -1.803 0 N-CA-C 114.807 1.41 . . . . 38.020000000000003 114.807 168.045 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 15.1 t -64.65 -46.11 83.91 Favored 'General case' 0 C--O 1.196 -1.72 0 CA-C-N 114.338 -1.301 . . . . 33.049999999999997 109.647 -174.686 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -64.64 -42.92 95.12 Favored 'General case' 1 N--CA 1.37 -4.467 0 N-CA-C 115.577 1.695 . . . . 37.880000000000003 115.577 175.935 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 48.4 mt -60.08 -43.01 95.79 Favored 'General case' 0 CA--C 1.6 2.872 0 CA-C-O 121.262 0.553 . . . . 31.920000000000002 110.944 177.183 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -63.2 -40.36 97.29 Favored 'General case' 0 N--CA 1.51 2.554 0 CA-C-O 116.094 -1.908 . . . . 33.119999999999997 109.658 179.128 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . . . -58.08 -40.65 81.61 Favored 'General case' 0 C--N 1.364 1.221 0 CA-C-N 120.484 1.493 . . . . 27.43 113.42 168.926 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 95.6 mt -60.04 -44.55 95.1 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.912 0 CA-C-N 114.035 -1.439 . . . . 27.239999999999998 113.211 171.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' CYS . . . . . . . . . . . . . 66.7 m -58.21 -41.9 85.06 Favored 'General case' 1 C--O 1.311 4.316 0 CA-C-O 123.297 1.523 . . . . 28.690000000000001 111.609 179.905 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 33.1 m-20 -66.08 -39.87 90.38 Favored 'General case' 0 N--CA 1.514 2.736 0 CA-C-N 113.013 -1.903 . . . . 34.43 111.67 179.597 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . . . -70.36 -37.84 74.67 Favored 'General case' 0 C--O 1.176 -2.768 0 CA-C-N 120.68 1.582 . . . . 20.719999999999999 112.22 178.243 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 82.0 mt -61.95 -44.76 96.08 Favored 'General case' 0 N--CA 1.524 3.229 0 CA-C-O 122.235 1.017 . . . . 29.309999999999999 110.424 176.151 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.67 -44.08 97.17 Favored 'General case' 0 N--CA 1.499 2.022 0 CA-C-O 123.017 1.389 . . . . 28.52 108.518 178.325 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 14.2 ttt85 -60.71 -38.96 86.8 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 117.339 -1.745 . . . . 43.280000000000001 113.435 174.665 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 61.1 mt -57.51 -54.06 36.03 Favored 'Isoleucine or valine' 0 C--O 1.247 0.945 0 O-C-N 119.106 -2.246 . . . . 28.190000000000001 111.827 173.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.5 -50.79 59.22 Favored 'General case' 0 N--CA 1.385 -3.717 0 CA-C-N 113.511 -1.677 . . . . 58.079999999999998 107.611 178.128 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 66.9 mtm-85 -58.27 -44.46 88.42 Favored 'General case' 0 C--O 1.176 -2.808 0 C-N-CA 118.189 -1.404 . . . . 33.640000000000001 114.019 175.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 38.9 mt -59.69 -43.85 93.9 Favored 'General case' 0 C--O 1.266 1.953 0 CA-C-N 120.843 1.656 . . . . 35.920000000000002 114.787 176.495 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 94.1 mt -57.36 -39.08 75.21 Favored 'General case' 0 N--CA 1.417 -2.122 0 N-CA-C 108.869 -0.789 . . . . 34.740000000000002 108.869 179.926 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -66.53 -25.73 72.74 Favored Glycine 0 CA--C 1.547 2.093 0 C-N-CA 127.276 2.37 . . . . 36.170000000000002 112.495 -176.069 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . . . -85.48 -4.88 59.3 Favored 'General case' 0 C--O 1.159 -3.67 0 O-C-N 121.9 -0.765 . . . . 39.380000000000003 111.751 177.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' ARG . . . . . 0.632 ' OXT' ' NH2' ' C' ' 33' ' ' ARG . 11.0 mtt180 . . . . . 0 C--N 1.31 -1.109 0 O-C-N 121.205 -0.934 . . . . 55.93 110.443 -177.347 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 1' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 . . . . . 0 CA--C 1.564 1.503 0 CA-C-O 117.236 -1.364 . . . . 61.700000000000003 114.197 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 2' ' ' MET . . . . . . . . . . . . . 54.1 tpp -56.71 -34.96 67.99 Favored 'General case' 0 C--O 1.164 -3.436 0 CA-C-N 120.617 1.553 . . . . 39.93 108.852 -175.442 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . . . -70.07 -29.69 66.75 Favored 'General case' 0 C--O 1.169 -3.173 0 O-C-N 120.269 -1.519 . . . . 38.119999999999997 112.512 179.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -76.13 -38.61 56.57 Favored 'General case' 0 N--CA 1.401 -2.904 0 C-N-CA 123.508 0.723 . . . . 37.130000000000003 109.993 175.907 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' ILE . . . . . . . . . . . . . 12.4 mt -56.05 -47.58 80.13 Favored 'Isoleucine or valine' 0 CA--C 1.613 3.388 0 N-CA-C 114.489 1.292 . . . . 31.609999999999999 114.489 168.046 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -60.3 -40.79 91.79 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 114.586 -1.188 . . . . 53.439999999999998 112.918 175.857 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -61.55 -51.52 68.24 Favored 'General case' 0 C--O 1.262 1.727 0 N-CA-C 105.258 -2.127 . . . . 38.390000000000001 105.258 -178.407 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 6.6 tpp180 -64.51 -36.12 83.18 Favored 'General case' 0 C--O 1.202 -1.419 0 O-C-N 124.894 1.371 . . . . 60.740000000000002 112.734 -176.062 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -38.9 81.27 Favored 'General case' 0 C--N 1.296 -1.74 0 CA-C-O 122.909 1.338 . . . . 31.77 113.668 170.854 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . 0.281 89.3 mt-10 -63.14 -43.4 98.47 Favored 'General case' 0 C--O 1.279 2.645 0 O-C-N 119.962 -1.711 . . . . 50.880000000000003 114.581 174.802 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . . . -63.13 -37.65 88.05 Favored 'General case' 0 C--O 1.158 -3.711 0 CA-C-O 122.384 1.087 . . . . 23.870000000000001 111.729 176.291 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 51.2 mt -63.06 -52.72 55.62 Favored 'Isoleucine or valine' 0 C--O 1.173 -2.934 0 O-C-N 120.606 -1.309 . . . . 28.859999999999999 108.543 -179.38 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 53.4 mt -49.42 -45.77 46.8 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-O 122.926 1.346 . . . . 30.359999999999999 113.538 175.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 14' ' ' SER . . . . . 0.454 ' O ' ' CD2' ' C' ' 18' ' ' HIS . 0.5 OUTLIER -68.87 -42.29 77.23 Favored 'General case' 0 N--CA 1.426 -1.632 0 O-C-N 120.637 -1.289 . . . . 31.129999999999999 108.174 -173.719 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . . . -63.81 -46.3 85.77 Favored 'General case' 0 C--O 1.247 0.948 0 CA-C-O 117.883 -1.056 . . . . 41.869999999999997 111.773 174.86 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 28.3 mt -52.52 -46.3 66.62 Favored 'General case' 0 C--O 1.267 2.022 0 N-CA-C 114.786 1.402 . . . . 31.370000000000001 114.786 174.189 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -54.91 -36.95 65.74 Favored 'General case' 0 C--O 1.262 1.716 0 C-N-CA 118.484 -1.286 . . . . 48.18 114.128 177.667 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 18' ' ' HIS . . . . . 0.454 ' CD2' ' O ' ' C' ' 14' ' ' SER . 98.0 m-70 -80.7 -29.16 36.48 Favored 'General case' 0 CA--C 1.462 -2.415 0 O-C-N 120.646 -1.284 . . . . 39.890000000000001 110.489 -177.171 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 6.6 mt -60.38 -43.86 94.77 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.018 0 CA-C-O 121.842 0.829 . . . . 29.899999999999999 112.873 171.406 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 96.3 m -59.77 -49.37 77.99 Favored 'General case' 0 C--O 1.247 0.93 0 N-CA-C 115.07 1.507 . . . . 31.460000000000001 115.07 171.277 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -55.82 -43.55 77.03 Favored 'General case' 0 C--O 1.199 -1.603 0 CA-C-O 122.203 1.002 . . . . 41.890000000000001 108.489 175.42 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -63.13 -48.32 79.03 Favored 'General case' 0 C--O 1.3 3.724 0 N-CA-C 114.392 1.256 . . . . 53.159999999999997 114.392 -178.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 73.4 mt -58.7 -40.53 83.91 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-N 115.992 -0.549 . . . . 31.789999999999999 112.195 171.952 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.63 -39.56 93.92 Favored 'General case' 0 CA--C 1.577 1.993 0 C-N-CA 116.665 -2.014 . . . . 34.850000000000001 110.389 174.876 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 25' ' ' ARG . . . . . 0.652 ' NH2' ' O ' ' C' 2003 ' ' HOH . 82.6 mtm-85 -65.53 -42.39 92.04 Favored 'General case' 0 C--O 1.27 2.145 0 CA-C-N 121.083 1.765 . . . . 55.990000000000002 107.713 179.231 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 15.6 mt -54.19 -50.31 56.43 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.051 0 CA-C-O 121.835 0.826 . . . . 38.649999999999999 113.136 178.056 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 67.6 ttt-85 -58.4 -28.84 65.58 Favored 'General case' 0 C--O 1.197 -1.706 0 CA-C-N 113.408 -1.724 . . . . 52.829999999999998 112.492 172.049 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 28' ' ' ARG . . . . . . . . . . . . . . . -69.48 -43.78 72.5 Favored 'General case' 0 N--CA 1.53 3.572 0 O-C-N 120.315 -1.491 . . . . 48.310000000000002 109.332 177.787 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . . . -64.24 -51.79 61.89 Favored 'General case' 0 N--CA 1.396 -3.141 0 C-N-CA 125.6 1.56 . . . . 46.539999999999999 111.051 179.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 72.8 mt -54.16 -40.79 67.79 Favored 'General case' 1 C--O 1.141 -4.656 0 O-C-N 120.016 -1.678 . . . . 44.780000000000001 109.327 175.543 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.0 -21.7 61.67 Favored Glycine 0 C--N 1.298 -1.566 0 N-CA-C 117.986 1.954 . . . . 47.200000000000003 117.986 174.23 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -96.36 10.54 37.75 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 115.667 1.729 . . . . 53.460000000000001 115.667 -178.803 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 33' ' ' ARG . . . . . 0.632 ' NH2' ' OXT' ' B' ' 33' ' ' ARG . 0.4 OUTLIER . . . . . 0 CA--C 1.495 -1.155 0 CA-C-O 124.604 2.145 . . . . 67.379999999999995 113.387 -173.151 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 1' ' ' ARG . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.541 4.104 0 N-CA-C 103.341 -2.837 . . . . 43.609999999999999 103.341 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 2' ' ' MET . . . . . . . . . . . . . 9.2 tpp -49.42 -44.38 45.28 Favored 'General case' 0 CA--C 1.597 2.759 0 N-CA-C 118.151 2.649 . . . . 53.280000000000001 118.151 165.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 3' ' ' ARG . . . . . . . . . . . . . . . -55.45 -42.57 74.42 Favored 'General case' 0 C--O 1.165 -3.374 0 CA-C-O 121.417 0.627 . . . . 42.380000000000003 109.58 172.117 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . . . -60.91 -54.45 44.88 Favored 'General case' 0 C--O 1.175 -2.85 0 O-C-N 120.413 -1.429 . . . . 43.119999999999997 110.679 178.114 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 5' ' ' ILE . . . . . . . . . . . . . 19.2 mt -42.15 -52.9 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.134 0 CA-C-O 117.236 -1.364 . . . . 38.149999999999999 112.833 170.178 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -59.22 -39.29 82.24 Favored 'General case' 1 C--O 1.134 -5.024 0 O-C-N 124.752 1.282 . . . . 52.25 114.041 177.17 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -65.67 -40.26 92.22 Favored 'General case' 0 N--CA 1.425 -1.704 0 O-C-N 120.475 -1.391 . . . . 46.899999999999999 113.496 170.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 8' ' ' ARG . . . . . . . . . . . . . . . -68.92 -40.91 78.8 Favored 'General case' 0 CA--C 1.57 1.736 0 N-CA-C 108.324 -0.991 . . . . 35.990000000000002 108.324 -178.807 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 39.2 mt -60.61 -42.88 97.7 Favored 'General case' 0 C--O 1.283 2.858 0 C-N-CA 119.858 -0.737 . . . . 33.100000000000001 110.856 174.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -54.45 -48.47 71.7 Favored 'General case' 0 N--CA 1.433 -1.28 0 N-CA-C 113.901 1.074 . . . . 44.390000000000001 113.901 174.164 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -61.13 -48.83 79.81 Favored 'General case' 0 C--N 1.372 1.575 0 N-CA-C 107.579 -1.267 . . . . 52.049999999999997 107.579 176.609 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 30.5 mt -51.79 -44.98 37.72 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.364 0 C-N-CA 117.666 -1.614 . . . . 37.630000000000003 112.428 176.448 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 18.3 mt -51.78 -56.37 14.28 Favored 'General case' 0 CA--C 1.475 -1.941 0 CA-C-N 114.812 -1.085 . . . . 38.670000000000002 113.21 178.717 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 14' ' ' SER . . . . . . . . . . . . . 15.1 t -51.23 -42.06 60.74 Favored 'General case' 0 C--N 1.305 -1.352 0 CA-C-N 114.021 -1.445 . . . . 30.5 113.968 176.321 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -71.88 -32.33 67.34 Favored 'General case' 0 CA--C 1.598 2.792 0 C-N-CA 117.42 -1.712 . . . . 53.009999999999998 111.447 177.556 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 20.6 mt -64.5 -44.02 92.27 Favored 'General case' 0 C--O 1.292 3.304 0 N-CA-C 115.695 1.739 . . . . 36.119999999999997 115.695 178.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 17' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -62.59 -44.36 96.5 Favored 'General case' 0 CA--C 1.443 -3.166 0 C-N-CA 125.084 1.354 . . . . 32.07 113.97 174.401 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 18' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -60.33 -37.54 80.93 Favored 'General case' 0 C--O 1.208 -1.101 0 O-C-N 122.265 -0.272 . . . . 42.32 111.6 172.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 19' ' ' ILE . . . . . . . . . . . . . 12.3 mt -64.61 -46.47 92.37 Favored 'Isoleucine or valine' 0 C--O 1.269 2.101 0 O-C-N 119.709 -1.869 . . . . 31.399999999999999 112.796 173.936 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 20' ' ' CYS . . . . . . . . . . . . . 90.2 m -55.24 -49.62 71.55 Favored 'General case' 0 C--N 1.392 2.438 0 O-C-N 124.497 1.123 . . . . 31.129999999999999 109.268 176.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 21' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -58.74 -37.83 77.06 Favored 'General case' 0 N--CA 1.508 2.446 0 C-N-CA 117.45 -1.7 . . . . 33.880000000000003 110.778 -177.827 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -75.08 -32.1 61.38 Favored 'General case' 0 CA--C 1.56 1.349 0 CA-C-O 121.441 0.638 . . . . 33.310000000000002 110.114 -179.62 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 98.5 mt -65.71 -42.09 91.55 Favored 'General case' 0 N--CA 1.5 2.044 0 N-CA-C 113.868 1.062 . . . . 25.690000000000001 113.868 176.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.11 -45.74 90.1 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-O 124.38 2.038 . . . . 26.170000000000002 111.5 172.924 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 -60.56 -46.25 90.89 Favored 'General case' 0 N--CA 1.44 -0.944 0 O-C-N 120.267 -1.521 . . . . 41.490000000000002 107.806 -178.252 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 26' ' ' ILE . . . . . . . . . . . . . 73.0 mt -58.07 -45.65 88.26 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.574 0 O-C-N 119.633 -1.917 . . . . 28.920000000000002 111.093 176.143 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 27' ' ' ARG . . . . . . . . . . . . . . . -48.79 -51.07 31.2 Favored 'General case' 0 C--O 1.208 -1.13 0 N-CA-C 114.302 1.223 . . . . 35.719999999999999 114.302 171.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 28' ' ' ARG . . . . . . . . . . . . . 83.8 mtm-85 -62.44 -45.46 92.98 Favored 'General case' 0 C--N 1.363 1.179 0 O-C-N 120.753 -1.217 . . . . 33.780000000000001 111.118 177.125 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 29' ' ' LEU . . . . . . . . . . . . . 49.7 mt -53.24 -48.45 68.19 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 122.198 0.999 . . . . 36.039999999999999 111.476 179.027 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 44.9 mt -56.15 -48.33 76.48 Favored 'General case' 0 C--O 1.266 1.955 0 CA-C-N 113.585 -1.643 . . . . 33.909999999999997 112.048 174.938 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.67 -10.97 52.31 Favored Glycine 1 CA--C 1.583 4.33 0 N-CA-C 115.623 1.009 . . . . 36.659999999999997 115.623 179.912 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 32' ' ' GLU . . . . . . . . . . . . . . . -98.67 2.65 47.36 Favored 'General case' 0 C--O 1.286 3.011 0 N-CA-C 115.563 1.69 . . . . 41.280000000000001 115.563 173.149 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 74.3 mtp85 . . . . . 0 CA--C 1.489 -1.367 0 O-C-N 119.86 -1.775 . . . . 48.090000000000003 112.29 -176.658 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C 2003 ' ' HOH . . . . . 0.652 ' O ' ' NH2' ' C' ' 25' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' TYZ . . . . . 1.115 H9C3 ' H5 ' ' A' ' 1' ' ' TYZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 68.9 mtm-85 . . . . . 0 CA--C 1.488 -1.405 0 N-CA-C 107.898 -1.149 . . . . 67.38 107.898 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 49.1 tpp -53.15 -36.41 60.83 Favored 'General case' 0 N--CA 1.396 -3.135 0 CA-C-N 112.489 -2.141 . . . . 42.18 109.383 173.218 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.2 tpp180 -61.86 -37.94 86.41 Favored 'General case' 0 N--CA 1.533 3.675 0 O-C-N 118.899 -2.375 . . . . 67.04 111.72 177.937 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -63.41 -44.44 94.62 Favored 'General case' 0 C--O 1.264 1.831 0 N-CA-C 115.092 1.516 . . . . 53.59 115.092 174.54 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.0 mt -60.47 -43.54 94.44 Favored 'Isoleucine or valine' 1 C--O 1.152 -4.074 0 CA-C-O 122.468 1.128 . . . . 32.31 113.023 172.153 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLU . . . . . 0.424 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 87.4 mt-10 -66.96 -41.08 87.49 Favored 'General case' 0 C--N 1.298 -1.648 0 C-N-CA 118.457 -1.297 . . . . 45.61 110.785 -176.544 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -62.33 -38.28 88.85 Favored 'General case' 0 CA--C 1.448 -2.95 0 C-N-CA 118.33 -1.348 . . . . 36.78 114.622 172.905 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.5 tpp85 -59.83 -45.23 93.06 Favored 'General case' 0 C--O 1.252 1.203 0 CA-C-O 124.332 2.015 . . . . 62.18 113.156 176.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 35.7 mt -58.5 -46.03 87.55 Favored 'General case' 0 C--N 1.281 -2.404 0 CA-C-N 113.558 -1.656 . . . . 29.43 110.83 173.553 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 79.6 mt-10 -65.82 -38.45 88.98 Favored 'General case' 0 C--O 1.304 3.926 0 O-C-N 120.108 -1.62 . . . . 41.78 109.918 -179.7 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -65.0 -33.12 75.28 Favored 'General case' 0 C--O 1.187 -2.207 0 C-N-CA 116.251 -2.18 . . . . 37.94 112.051 174.169 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.5 mt -64.52 -43.21 96.84 Favored 'Isoleucine or valine' 0 C--O 1.178 -2.705 0 CA-C-O 123.483 1.611 . . . . 29.88 109.462 178.078 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -43.98 97.39 Favored 'General case' 0 C--N 1.283 -2.287 0 O-C-N 120.73 -1.231 . . . . 33.55 111.301 179.53 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 68.7 m -59.2 -45.65 90.51 Favored 'General case' 0 C--O 1.249 1.057 0 N-CA-C 106.211 -1.774 . . . . 30.29 106.211 -178.46 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -63.82 -40.82 97.53 Favored 'General case' 0 C--O 1.291 3.286 0 O-C-N 125.377 1.673 . . . . 37.18 114.495 -175.27 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.7 mt -66.23 -39.64 89.69 Favored 'General case' 0 CA--C 1.565 1.555 0 CA-C-N 113.663 -1.608 . . . . 31.62 113.508 176.473 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -64.61 -39.03 92.99 Favored 'General case' 0 C--O 1.199 -1.571 0 C-N-CA 117.71 -1.596 . . . . 54.06 107.014 178.066 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -62.29 -48.18 81.04 Favored 'General case' 0 C--O 1.202 -1.442 0 N-CA-C 114.547 1.314 . . . . 42.71 114.547 174.068 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.7 mt -53.11 -43.0 47.62 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.367 0 O-C-N 121.404 -0.81 . . . . 36.34 109.385 173.582 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 75.4 m -65.09 -45.08 86.71 Favored 'General case' 0 C--O 1.251 1.174 0 CA-C-O 122.062 0.934 . . . . 33.43 111.384 -177.109 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -54.1 -45.25 71.8 Favored 'General case' 0 C--N 1.31 -1.152 0 N-CA-C 114.837 1.421 . . . . 43.69 114.837 171.715 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -60.85 -41.84 96.67 Favored 'General case' 0 C--O 1.204 -1.294 0 C-N-CA 124.223 1.009 . . . . 49.51 113.317 171.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 42.9 mt -67.73 -38.77 83.99 Favored 'General case' 0 C--O 1.272 2.265 0 C-N-CA 116.732 -1.987 . . . . 34.21 111.55 176.496 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.78 -38.84 92.23 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 119.84 -0.744 . . . . 33.75 109.95 179.876 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.8 ttp85 -63.22 -42.39 99.26 Favored 'General case' 0 C--O 1.166 -3.291 0 N-CA-C 113.449 0.907 . . . . 58.04 113.449 174.293 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 57.1 mt -57.59 -46.07 86.29 Favored 'Isoleucine or valine' 0 C--O 1.158 -3.732 0 CA-C-O 122.17 0.986 . . . . 36.35 112.102 173.667 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.4 ttt-85 -55.4 -46.28 76.62 Favored 'General case' 0 N--CA 1.39 -3.425 0 O-C-N 120.037 -1.664 . . . . 47.08 111.825 178.697 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . . . -68.47 -37.18 79.93 Favored 'General case' 0 CA--C 1.488 -1.435 0 C-N-CA 127.281 2.232 . . . . 44.7 109.874 -177.772 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 40.1 mt -63.98 -42.77 97.13 Favored 'General case' 0 CA--C 1.483 -1.598 0 N-CA-C 107.799 -1.185 . . . . 37.91 107.799 173.572 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.1 mt -62.46 -37.49 86.15 Favored 'General case' 0 CA--C 1.571 1.768 0 CA-C-O 123.676 1.703 . . . . 43.98 109.187 -175.724 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -73.21 -15.91 78.7 Favored Glycine 0 N--CA 1.426 -1.978 0 CA-C-N 113.502 -1.681 . . . . 46.01 114.96 -178.851 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -103.94 8.99 36.88 Favored 'General case' 0 CA--C 1.486 -1.494 0 N-CA-C 113.619 0.97 . . . . 60.88 113.619 -178.663 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 62.0 mtp85 . . . . . 0 C--O 1.202 -1.407 0 N-CA-C 115.757 1.762 . . . . 54.19 115.757 175.013 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.193 -1.899 0 CA-C-O 116.36 -1.781 . . . . 46.23 114.746 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 49.7 tpp -62.6 -41.14 98.79 Favored 'General case' 0 CA--C 1.625 3.857 0 CA-C-N 122.676 2.489 . . . . 42.52 111.243 -179.831 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . . . -54.5 -37.98 65.95 Favored 'General case' 0 N--CA 1.413 -2.305 0 N-CA-C 114.502 1.297 . . . . 42.27 114.502 169.383 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -71.97 -38.95 69.63 Favored 'General case' 0 CA--C 1.586 2.35 0 O-C-N 120.462 -1.398 . . . . 56.27 112.174 175.105 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 66.0 mt -64.06 -41.36 92.21 Favored 'Isoleucine or valine' 0 C--O 1.172 -2.977 0 O-C-N 120.423 -1.423 . . . . 36.88 107.97 178.594 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -60.08 -43.53 95.42 Favored 'General case' 0 C--O 1.169 -3.18 0 O-C-N 121.052 -1.03 . . . . 57.73 112.625 178.828 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -63.74 -40.75 97.5 Favored 'General case' 0 C--O 1.189 -2.113 0 C-N-CA 124.085 0.954 . . . . 41.44 109.613 176.827 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -66.08 -38.74 89.05 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.228 -0.989 . . . . 40.84 110.743 179.312 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 74.2 mt -60.07 -41.87 93.34 Favored 'General case' 0 N--CA 1.505 2.284 0 CA-C-N 115.988 -0.551 . . . . 36.05 109.577 174.552 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -63.64 -40.78 97.75 Favored 'General case' 0 CA--C 1.577 2.002 0 N-CA-C 115.973 1.842 . . . . 41.43 115.973 174.729 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -64.79 -39.76 94.14 Favored 'General case' 0 C--O 1.204 -1.291 0 N-CA-C 108.662 -0.866 . . . . 43.77 108.662 176.668 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 89.1 mt -60.37 -53.34 50.11 Favored 'Isoleucine or valine' 1 C--O 1.143 -4.53 0 O-C-N 120.34 -1.475 . . . . 32.63 113.029 174.356 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 25.1 mt -42.46 -49.55 5.27 Favored 'General case' 0 CA--C 1.478 -1.803 0 N-CA-C 114.807 1.41 . . . . 38.02 114.807 168.045 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 15.1 t -64.65 -46.11 83.91 Favored 'General case' 0 C--O 1.196 -1.72 0 CA-C-N 114.338 -1.301 . . . . 33.05 109.647 -174.686 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -64.64 -42.92 95.12 Favored 'General case' 1 N--CA 1.37 -4.467 0 N-CA-C 115.577 1.695 . . . . 37.88 115.577 175.935 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 48.4 mt -60.08 -43.01 95.79 Favored 'General case' 0 CA--C 1.6 2.872 0 CA-C-O 121.262 0.553 . . . . 31.92 110.944 177.183 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -63.2 -40.36 97.29 Favored 'General case' 0 N--CA 1.51 2.554 0 CA-C-O 116.094 -1.908 . . . . 33.12 109.658 179.128 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . . . -58.08 -40.65 81.61 Favored 'General case' 0 C--N 1.364 1.221 0 CA-C-N 120.484 1.493 . . . . 27.43 113.42 168.926 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 95.6 mt -60.04 -44.55 95.1 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.912 0 CA-C-N 114.035 -1.439 . . . . 27.24 113.211 171.357 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' CYS . . . . . . . . . . . . . 66.7 m -58.21 -41.9 85.06 Favored 'General case' 1 C--O 1.311 4.316 0 CA-C-O 123.297 1.523 . . . . 28.69 111.609 179.905 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 33.1 m-20 -66.08 -39.87 90.38 Favored 'General case' 0 N--CA 1.514 2.736 0 CA-C-N 113.013 -1.903 . . . . 34.43 111.67 179.597 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . . . -70.36 -37.84 74.67 Favored 'General case' 0 C--O 1.176 -2.768 0 CA-C-N 120.68 1.582 . . . . 20.72 112.22 178.243 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 82.0 mt -61.95 -44.76 96.08 Favored 'General case' 0 N--CA 1.524 3.229 0 CA-C-O 122.235 1.017 . . . . 29.31 110.424 176.151 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.67 -44.08 97.17 Favored 'General case' 0 N--CA 1.499 2.022 0 CA-C-O 123.017 1.389 . . . . 28.52 108.518 178.325 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ARG . . . . . 0.401 HH22 H9C1 ' A' ' 1' ' ' TYZ . 14.2 ttt85 -60.71 -38.96 86.8 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 117.339 -1.745 . . . . 43.28 113.435 174.665 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 61.1 mt -57.51 -54.06 36.03 Favored 'Isoleucine or valine' 0 C--O 1.247 0.945 0 O-C-N 119.106 -2.246 . . . . 28.19 111.827 173.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.5 -50.79 59.22 Favored 'General case' 0 N--CA 1.385 -3.717 0 CA-C-N 113.511 -1.677 . . . . 58.08 107.611 178.128 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 66.9 mtm-85 -58.27 -44.46 88.42 Favored 'General case' 0 C--O 1.176 -2.808 0 C-N-CA 118.189 -1.404 . . . . 33.64 114.019 175.912 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 38.9 mt -59.69 -43.85 93.9 Favored 'General case' 0 C--O 1.266 1.953 0 CA-C-N 120.843 1.656 . . . . 35.92 114.787 176.495 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 94.1 mt -57.36 -39.08 75.21 Favored 'General case' 0 N--CA 1.417 -2.122 0 N-CA-C 108.869 -0.789 . . . . 34.74 108.869 179.926 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -66.53 -25.73 72.74 Favored Glycine 0 CA--C 1.547 2.093 0 C-N-CA 127.276 2.37 . . . . 36.17 112.495 -176.069 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . . . -85.48 -4.88 59.3 Favored 'General case' 0 C--O 1.159 -3.67 0 O-C-N 121.9 -0.765 . . . . 39.38 111.751 177.602 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' ARG . . . . . 0.632 ' OXT' ' NH2' ' C' ' 33' ' ' ARG . 11.0 mtt180 . . . . . 0 C--N 1.31 -1.109 0 O-C-N 121.205 -0.934 . . . . 55.93 110.443 -177.347 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 1' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 . . . . . 0 CA--C 1.564 1.503 0 CA-C-O 117.236 -1.364 . . . . 61.7 114.197 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 2' ' ' MET . . . . . . . . . . . . . 54.1 tpp -56.71 -34.96 67.99 Favored 'General case' 0 C--O 1.164 -3.436 0 CA-C-N 120.617 1.553 . . . . 39.93 108.852 -175.442 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . . . -70.07 -29.69 66.75 Favored 'General case' 0 C--O 1.169 -3.173 0 O-C-N 120.269 -1.519 . . . . 38.12 112.512 179.357 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 4' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -76.13 -38.61 56.57 Favored 'General case' 0 N--CA 1.401 -2.904 0 C-N-CA 123.508 0.723 . . . . 37.13 109.993 175.907 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 5' ' ' ILE . . . . . . . . . . . . . 12.4 mt -56.05 -47.58 80.13 Favored 'Isoleucine or valine' 0 CA--C 1.613 3.388 0 N-CA-C 114.489 1.292 . . . . 31.61 114.489 168.046 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -60.3 -40.79 91.79 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 114.586 -1.188 . . . . 53.44 112.918 175.857 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -61.55 -51.52 68.24 Favored 'General case' 0 C--O 1.262 1.727 0 N-CA-C 105.258 -2.127 . . . . 38.39 105.258 -178.407 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 6.6 tpp180 -64.51 -36.12 83.18 Favored 'General case' 0 C--O 1.202 -1.419 0 O-C-N 124.894 1.371 . . . . 60.74 112.734 -176.062 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -38.9 81.27 Favored 'General case' 0 C--N 1.296 -1.74 0 CA-C-O 122.909 1.338 . . . . 31.77 113.668 170.854 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . 0.281 89.3 mt-10 -63.14 -43.4 98.47 Favored 'General case' 0 C--O 1.279 2.645 0 O-C-N 119.962 -1.711 . . . . 50.88 114.581 174.802 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . . . -63.13 -37.65 88.05 Favored 'General case' 0 C--O 1.158 -3.711 0 CA-C-O 122.384 1.087 . . . . 23.87 111.729 176.291 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 51.2 mt -63.06 -52.72 55.62 Favored 'Isoleucine or valine' 0 C--O 1.173 -2.934 0 O-C-N 120.606 -1.309 . . . . 28.86 108.543 -179.38 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 53.4 mt -49.42 -45.77 46.8 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-O 122.926 1.346 . . . . 30.36 113.538 175.638 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.87 -42.29 77.23 Favored 'General case' 0 N--CA 1.426 -1.632 0 O-C-N 120.637 -1.289 . . . . 31.13 108.174 -173.719 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . . . -63.81 -46.3 85.77 Favored 'General case' 0 C--O 1.247 0.948 0 CA-C-O 117.883 -1.056 . . . . 41.87 111.773 174.86 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 28.3 mt -52.52 -46.3 66.62 Favored 'General case' 0 C--O 1.267 2.022 0 N-CA-C 114.786 1.402 . . . . 31.37 114.786 174.189 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -54.91 -36.95 65.74 Favored 'General case' 0 C--O 1.262 1.716 0 C-N-CA 118.484 -1.286 . . . . 48.18 114.128 177.667 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 18' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -80.7 -29.16 36.48 Favored 'General case' 0 CA--C 1.462 -2.415 0 O-C-N 120.646 -1.284 . . . . 39.89 110.489 -177.171 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 6.6 mt -60.38 -43.86 94.77 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.018 0 CA-C-O 121.842 0.829 . . . . 29.9 112.873 171.406 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 96.3 m -59.77 -49.37 77.99 Favored 'General case' 0 C--O 1.247 0.93 0 N-CA-C 115.07 1.507 . . . . 31.46 115.07 171.277 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 21' ' ' ASN . . . . . 0.498 ' HB2' ' O ' ' C' 2003 ' ' HOH . 93.2 m-20 -55.82 -43.55 77.03 Favored 'General case' 0 C--O 1.199 -1.603 0 CA-C-O 122.203 1.002 . . . . 41.89 108.489 175.42 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -63.13 -48.32 79.03 Favored 'General case' 0 C--O 1.3 3.724 0 N-CA-C 114.392 1.256 . . . . 53.16 114.392 -178.357 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 73.4 mt -58.7 -40.53 83.91 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-N 115.992 -0.549 . . . . 31.79 112.195 171.952 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.63 -39.56 93.92 Favored 'General case' 0 CA--C 1.577 1.993 0 C-N-CA 116.665 -2.014 . . . . 34.85 110.389 174.876 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 25' ' ' ARG . . . . . 0.489 ' NH2' ' O ' ' C' 2003 ' ' HOH . 82.6 mtm-85 -65.53 -42.39 92.04 Favored 'General case' 0 C--O 1.27 2.145 0 CA-C-N 121.083 1.765 . . . . 55.99 107.713 179.231 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 15.6 mt -54.19 -50.31 56.43 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.051 0 CA-C-O 121.835 0.826 . . . . 38.65 113.136 178.056 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 67.6 ttt-85 -58.4 -28.84 65.58 Favored 'General case' 0 C--O 1.197 -1.706 0 CA-C-N 113.408 -1.724 . . . . 52.83 112.492 172.049 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 28' ' ' ARG . . . . . . . . . . . . . . . -69.48 -43.78 72.5 Favored 'General case' 0 N--CA 1.53 3.572 0 O-C-N 120.315 -1.491 . . . . 48.31 109.332 177.787 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . . . -64.24 -51.79 61.89 Favored 'General case' 0 N--CA 1.396 -3.141 0 C-N-CA 125.6 1.56 . . . . 46.54 111.051 179.657 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 72.8 mt -54.16 -40.79 67.79 Favored 'General case' 1 C--O 1.141 -4.656 0 O-C-N 120.016 -1.678 . . . . 44.78 109.327 175.543 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.0 -21.7 61.67 Favored Glycine 0 C--N 1.298 -1.566 0 N-CA-C 117.986 1.954 . . . . 47.2 117.986 174.23 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -96.36 10.54 37.75 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 115.667 1.729 . . . . 53.46 115.667 -178.803 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 33' ' ' ARG . . . . . 0.632 ' NH2' ' OXT' ' B' ' 33' ' ' ARG . 0.4 OUTLIER . . . . . 0 CA--C 1.495 -1.155 0 CA-C-O 124.604 2.145 . . . . 67.38 113.387 -173.151 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 1' ' ' ARG . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.541 4.104 0 N-CA-C 103.341 -2.837 . . . . 43.61 103.341 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 2' ' ' MET . . . . . . . . . . . . . 9.2 tpp -49.42 -44.38 45.28 Favored 'General case' 0 CA--C 1.597 2.759 0 N-CA-C 118.151 2.649 . . . . 53.28 118.151 165.796 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 3' ' ' ARG . . . . . . . . . . . . . . . -55.45 -42.57 74.42 Favored 'General case' 0 C--O 1.165 -3.374 0 CA-C-O 121.417 0.627 . . . . 42.38 109.58 172.117 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . . . -60.91 -54.45 44.88 Favored 'General case' 0 C--O 1.175 -2.85 0 O-C-N 120.413 -1.429 . . . . 43.12 110.679 178.114 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 5' ' ' ILE . . . . . . . . . . . . . 19.2 mt -42.15 -52.9 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.134 0 CA-C-O 117.236 -1.364 . . . . 38.15 112.833 170.178 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -59.22 -39.29 82.24 Favored 'General case' 1 C--O 1.134 -5.024 0 O-C-N 124.752 1.282 . . . . 52.25 114.041 177.17 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -65.67 -40.26 92.22 Favored 'General case' 0 N--CA 1.425 -1.704 0 O-C-N 120.475 -1.391 . . . . 46.9 113.496 170.789 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 8' ' ' ARG . . . . . . . . . . . . . . . -68.92 -40.91 78.8 Favored 'General case' 0 CA--C 1.57 1.736 0 N-CA-C 108.324 -0.991 . . . . 35.99 108.324 -178.807 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 39.2 mt -60.61 -42.88 97.7 Favored 'General case' 0 C--O 1.283 2.858 0 C-N-CA 119.858 -0.737 . . . . 33.1 110.856 174.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -54.45 -48.47 71.7 Favored 'General case' 0 N--CA 1.433 -1.28 0 N-CA-C 113.901 1.074 . . . . 44.39 113.901 174.164 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -61.13 -48.83 79.81 Favored 'General case' 0 C--N 1.372 1.575 0 N-CA-C 107.579 -1.267 . . . . 52.05 107.579 176.609 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 30.5 mt -51.79 -44.98 37.72 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.364 0 C-N-CA 117.666 -1.614 . . . . 37.63 112.428 176.448 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 18.3 mt -51.78 -56.37 14.28 Favored 'General case' 0 CA--C 1.475 -1.941 0 CA-C-N 114.812 -1.085 . . . . 38.67 113.21 178.717 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 14' ' ' SER . . . . . . . . . . . . . 15.1 t -51.23 -42.06 60.74 Favored 'General case' 0 C--N 1.305 -1.352 0 CA-C-N 114.021 -1.445 . . . . 30.5 113.968 176.321 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -71.88 -32.33 67.34 Favored 'General case' 0 CA--C 1.598 2.792 0 C-N-CA 117.42 -1.712 . . . . 53.01 111.447 177.556 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 20.6 mt -64.5 -44.02 92.27 Favored 'General case' 0 C--O 1.292 3.304 0 N-CA-C 115.695 1.739 . . . . 36.12 115.695 178.706 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 17' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -62.59 -44.36 96.5 Favored 'General case' 0 CA--C 1.443 -3.166 0 C-N-CA 125.084 1.354 . . . . 32.07 113.97 174.401 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 18' ' ' HIS . . . . . 0.51 ' O ' ' HG3' ' D' ' 22' ' ' GLU . 28.9 m170 -60.33 -37.54 80.93 Favored 'General case' 0 C--O 1.208 -1.101 0 O-C-N 122.265 -0.272 . . . . 42.32 111.6 172.037 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 19' ' ' ILE . . . . . . . . . . . . . 12.3 mt -64.61 -46.47 92.37 Favored 'Isoleucine or valine' 0 C--O 1.269 2.101 0 O-C-N 119.709 -1.869 . . . . 31.4 112.796 173.936 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 20' ' ' CYS . . . . . . . . . . . . . 90.2 m -55.24 -49.62 71.55 Favored 'General case' 0 C--N 1.392 2.438 0 O-C-N 124.497 1.123 . . . . 31.13 109.268 176.877 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 21' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -58.74 -37.83 77.06 Favored 'General case' 0 N--CA 1.508 2.446 0 C-N-CA 117.45 -1.7 . . . . 33.88 110.778 -177.827 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 22' ' ' GLU . . . . . 0.51 ' HG3' ' O ' ' D' ' 18' ' ' HIS . 49.8 mt-10 -75.08 -32.1 61.38 Favored 'General case' 0 CA--C 1.56 1.349 0 CA-C-O 121.441 0.638 . . . . 33.31 110.114 -179.62 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 98.5 mt -65.71 -42.09 91.55 Favored 'General case' 0 N--CA 1.5 2.044 0 N-CA-C 113.868 1.062 . . . . 25.69 113.868 176.923 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.11 -45.74 90.1 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-O 124.38 2.038 . . . . 26.17 111.5 172.924 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 -60.56 -46.25 90.89 Favored 'General case' 0 N--CA 1.44 -0.944 0 O-C-N 120.267 -1.521 . . . . 41.49 107.806 -178.252 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 26' ' ' ILE . . . . . . . . . . . . . 73.0 mt -58.07 -45.65 88.26 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.574 0 O-C-N 119.633 -1.917 . . . . 28.92 111.093 176.143 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 27' ' ' ARG . . . . . . . . . . . . . . . -48.79 -51.07 31.2 Favored 'General case' 0 C--O 1.208 -1.13 0 N-CA-C 114.302 1.223 . . . . 35.72 114.302 171.988 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 28' ' ' ARG . . . . . . . . . . . . . 83.8 mtm-85 -62.44 -45.46 92.98 Favored 'General case' 0 C--N 1.363 1.179 0 O-C-N 120.753 -1.217 . . . . 33.78 111.118 177.125 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 29' ' ' LEU . . . . . . . . . . . . . 49.7 mt -53.24 -48.45 68.19 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 122.198 0.999 . . . . 36.04 111.476 179.027 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 44.9 mt -56.15 -48.33 76.48 Favored 'General case' 0 C--O 1.266 1.955 0 CA-C-N 113.585 -1.643 . . . . 33.91 112.048 174.938 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.67 -10.97 52.31 Favored Glycine 1 CA--C 1.583 4.33 0 N-CA-C 115.623 1.009 . . . . 36.66 115.623 179.912 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 32' ' ' GLU . . . . . . . . . . . . . . . -98.67 2.65 47.36 Favored 'General case' 0 C--O 1.286 3.011 0 N-CA-C 115.563 1.69 . . . . 41.28 115.563 173.149 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 74.3 mtp85 . . . . . 0 CA--C 1.489 -1.367 0 O-C-N 119.86 -1.775 . . . . 48.09 112.29 -176.658 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C 2003 ' ' HOH . . . . . 0.498 ' O ' ' HB2' ' C' ' 21' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' TYZ . . . . . 1.115 H9C3 ' H5 ' ' A' ' 1' ' ' TYZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 68.9 mtm-85 . . . . . 0 CA--C 1.488 -1.405 0 N-CA-C 107.898 -1.149 . . . . 67.379999999999995 107.898 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 49.1 tpp -53.15 -36.41 60.83 Favored 'General case' 0 N--CA 1.396 -3.135 0 CA-C-N 112.489 -2.141 . . . . 42.18 109.383 173.218 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.2 tpp180 -61.86 -37.94 86.41 Favored 'General case' 0 N--CA 1.533 3.675 0 O-C-N 118.899 -2.375 . . . . 67.040000000000006 111.72 177.937 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -63.41 -44.44 94.62 Favored 'General case' 0 C--O 1.264 1.831 0 N-CA-C 115.092 1.516 . . . . 53.590000000000003 115.092 174.54 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.0 mt -60.47 -43.54 94.44 Favored 'Isoleucine or valine' 1 C--O 1.152 -4.074 0 CA-C-O 122.468 1.128 . . . . 32.310000000000002 113.023 172.153 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.424 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 87.4 mt-10 -66.96 -41.08 87.49 Favored 'General case' 0 C--N 1.298 -1.648 0 C-N-CA 118.457 -1.297 . . . . 45.609999999999999 110.785 -176.544 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -62.33 -38.28 88.85 Favored 'General case' 0 CA--C 1.448 -2.95 0 C-N-CA 118.33 -1.348 . . . . 36.780000000000001 114.622 172.905 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.5 tpp85 -59.83 -45.23 93.06 Favored 'General case' 0 C--O 1.252 1.203 0 CA-C-O 124.332 2.015 . . . . 62.18 113.156 176.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 35.7 mt -58.5 -46.03 87.55 Favored 'General case' 0 C--N 1.281 -2.404 0 CA-C-N 113.558 -1.656 . . . . 29.43 110.83 173.553 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 79.6 mt-10 -65.82 -38.45 88.98 Favored 'General case' 0 C--O 1.304 3.926 0 O-C-N 120.108 -1.62 . . . . 41.780000000000001 109.918 -179.7 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -65.0 -33.12 75.28 Favored 'General case' 0 C--O 1.187 -2.207 0 C-N-CA 116.251 -2.18 . . . . 37.939999999999998 112.051 174.169 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.5 mt -64.52 -43.21 96.84 Favored 'Isoleucine or valine' 0 C--O 1.178 -2.705 0 CA-C-O 123.483 1.611 . . . . 29.879999999999999 109.462 178.078 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -43.98 97.39 Favored 'General case' 0 C--N 1.283 -2.287 0 O-C-N 120.73 -1.231 . . . . 33.549999999999997 111.301 179.53 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 68.7 m -59.2 -45.65 90.51 Favored 'General case' 0 C--O 1.249 1.057 0 N-CA-C 106.211 -1.774 . . . . 30.289999999999999 106.211 -178.46 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -63.82 -40.82 97.53 Favored 'General case' 0 C--O 1.291 3.286 0 O-C-N 125.377 1.673 . . . . 37.18 114.495 -175.27 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.7 mt -66.23 -39.64 89.69 Favored 'General case' 0 CA--C 1.565 1.555 0 CA-C-N 113.663 -1.608 . . . . 31.620000000000001 113.508 176.473 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -64.61 -39.03 92.99 Favored 'General case' 0 C--O 1.199 -1.571 0 C-N-CA 117.71 -1.596 . . . . 54.060000000000002 107.014 178.066 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -62.29 -48.18 81.04 Favored 'General case' 0 C--O 1.202 -1.442 0 N-CA-C 114.547 1.314 . . . . 42.710000000000001 114.547 174.068 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.7 mt -53.11 -43.0 47.62 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.367 0 O-C-N 121.404 -0.81 . . . . 36.340000000000003 109.385 173.582 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 75.4 m -65.09 -45.08 86.71 Favored 'General case' 0 C--O 1.251 1.174 0 CA-C-O 122.062 0.934 . . . . 33.43 111.384 -177.109 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -54.1 -45.25 71.8 Favored 'General case' 0 C--N 1.31 -1.152 0 N-CA-C 114.837 1.421 . . . . 43.689999999999998 114.837 171.715 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -60.85 -41.84 96.67 Favored 'General case' 0 C--O 1.204 -1.294 0 C-N-CA 124.223 1.009 . . . . 49.509999999999998 113.317 171.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 42.9 mt -67.73 -38.77 83.99 Favored 'General case' 0 C--O 1.272 2.265 0 C-N-CA 116.732 -1.987 . . . . 34.210000000000001 111.55 176.496 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.78 -38.84 92.23 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 119.84 -0.744 . . . . 33.75 109.95 179.876 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.8 ttp85 -63.22 -42.39 99.26 Favored 'General case' 0 C--O 1.166 -3.291 0 N-CA-C 113.449 0.907 . . . . 58.039999999999999 113.449 174.293 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 57.1 mt -57.59 -46.07 86.29 Favored 'Isoleucine or valine' 0 C--O 1.158 -3.732 0 CA-C-O 122.17 0.986 . . . . 36.350000000000001 112.102 173.667 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.4 ttt-85 -55.4 -46.28 76.62 Favored 'General case' 0 N--CA 1.39 -3.425 0 O-C-N 120.037 -1.664 . . . . 47.079999999999998 111.825 178.697 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . . . -68.47 -37.18 79.93 Favored 'General case' 0 CA--C 1.488 -1.435 0 C-N-CA 127.281 2.232 . . . . 44.700000000000003 109.874 -177.772 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 40.1 mt -63.98 -42.77 97.13 Favored 'General case' 0 CA--C 1.483 -1.598 0 N-CA-C 107.799 -1.185 . . . . 37.909999999999997 107.799 173.572 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.1 mt -62.46 -37.49 86.15 Favored 'General case' 0 CA--C 1.571 1.768 0 CA-C-O 123.676 1.703 . . . . 43.979999999999997 109.187 -175.724 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -73.21 -15.91 78.7 Favored Glycine 0 N--CA 1.426 -1.978 0 CA-C-N 113.502 -1.681 . . . . 46.009999999999998 114.96 -178.851 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -103.94 8.99 36.88 Favored 'General case' 0 CA--C 1.486 -1.494 0 N-CA-C 113.619 0.97 . . . . 60.880000000000003 113.619 -178.663 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 62.0 mtp85 . . . . . 0 C--O 1.202 -1.407 0 N-CA-C 115.757 1.762 . . . . 54.189999999999998 115.757 175.013 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--O 1.193 -1.899 0 CA-C-O 116.36 -1.781 . . . . 46.229999999999997 114.746 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 49.7 tpp -62.6 -41.14 98.79 Favored 'General case' 0 CA--C 1.625 3.857 0 CA-C-N 122.676 2.489 . . . . 42.520000000000003 111.243 -179.831 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . . . -54.5 -37.98 65.95 Favored 'General case' 0 N--CA 1.413 -2.305 0 N-CA-C 114.502 1.297 . . . . 42.270000000000003 114.502 169.383 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -71.97 -38.95 69.63 Favored 'General case' 0 CA--C 1.586 2.35 0 O-C-N 120.462 -1.398 . . . . 56.270000000000003 112.174 175.105 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 66.0 mt -64.06 -41.36 92.21 Favored 'Isoleucine or valine' 0 C--O 1.172 -2.977 0 O-C-N 120.423 -1.423 . . . . 36.880000000000003 107.97 178.594 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -60.08 -43.53 95.42 Favored 'General case' 0 C--O 1.169 -3.18 0 O-C-N 121.052 -1.03 . . . . 57.729999999999997 112.625 178.828 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -63.74 -40.75 97.5 Favored 'General case' 0 C--O 1.189 -2.113 0 C-N-CA 124.085 0.954 . . . . 41.439999999999998 109.613 176.827 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -66.08 -38.74 89.05 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 119.228 -0.989 . . . . 40.840000000000003 110.743 179.312 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 74.2 mt -60.07 -41.87 93.34 Favored 'General case' 0 N--CA 1.505 2.284 0 CA-C-N 115.988 -0.551 . . . . 36.049999999999997 109.577 174.552 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -63.64 -40.78 97.75 Favored 'General case' 0 CA--C 1.577 2.002 0 N-CA-C 115.973 1.842 . . . . 41.43 115.973 174.729 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -64.79 -39.76 94.14 Favored 'General case' 0 C--O 1.204 -1.291 0 N-CA-C 108.662 -0.866 . . . . 43.770000000000003 108.662 176.668 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 89.1 mt -60.37 -53.34 50.11 Favored 'Isoleucine or valine' 1 C--O 1.143 -4.53 0 O-C-N 120.34 -1.475 . . . . 32.630000000000003 113.029 174.356 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 25.1 mt -42.46 -49.55 5.27 Favored 'General case' 0 CA--C 1.478 -1.803 0 N-CA-C 114.807 1.41 . . . . 38.020000000000003 114.807 168.045 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 15.1 t -64.65 -46.11 83.91 Favored 'General case' 0 C--O 1.196 -1.72 0 CA-C-N 114.338 -1.301 . . . . 33.049999999999997 109.647 -174.686 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -64.64 -42.92 95.12 Favored 'General case' 1 N--CA 1.37 -4.467 0 N-CA-C 115.577 1.695 . . . . 37.880000000000003 115.577 175.935 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 48.4 mt -60.08 -43.01 95.79 Favored 'General case' 0 CA--C 1.6 2.872 0 CA-C-O 121.262 0.553 . . . . 31.920000000000002 110.944 177.183 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -63.2 -40.36 97.29 Favored 'General case' 0 N--CA 1.51 2.554 0 CA-C-O 116.094 -1.908 . . . . 33.119999999999997 109.658 179.128 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . . . -58.08 -40.65 81.61 Favored 'General case' 0 C--N 1.364 1.221 0 CA-C-N 120.484 1.493 . . . . 27.43 113.42 168.926 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 95.6 mt -60.04 -44.55 95.1 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.912 0 CA-C-N 114.035 -1.439 . . . . 27.239999999999998 113.211 171.357 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' CYS . . . . . . . . . . . . . 66.7 m -58.21 -41.9 85.06 Favored 'General case' 1 C--O 1.311 4.316 0 CA-C-O 123.297 1.523 . . . . 28.690000000000001 111.609 179.905 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 33.1 m-20 -66.08 -39.87 90.38 Favored 'General case' 0 N--CA 1.514 2.736 0 CA-C-N 113.013 -1.903 . . . . 34.43 111.67 179.597 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . . . -70.36 -37.84 74.67 Favored 'General case' 0 C--O 1.176 -2.768 0 CA-C-N 120.68 1.582 . . . . 20.719999999999999 112.22 178.243 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 82.0 mt -61.95 -44.76 96.08 Favored 'General case' 0 N--CA 1.524 3.229 0 CA-C-O 122.235 1.017 . . . . 29.309999999999999 110.424 176.151 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.67 -44.08 97.17 Favored 'General case' 0 N--CA 1.499 2.022 0 CA-C-O 123.017 1.389 . . . . 28.52 108.518 178.325 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ARG . . . . . 0.401 HH22 H9C1 ' A' ' 1' ' ' TYZ . 14.2 ttt85 -60.71 -38.96 86.8 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 117.339 -1.745 . . . . 43.280000000000001 113.435 174.665 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 61.1 mt -57.51 -54.06 36.03 Favored 'Isoleucine or valine' 0 C--O 1.247 0.945 0 O-C-N 119.106 -2.246 . . . . 28.190000000000001 111.827 173.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.5 -50.79 59.22 Favored 'General case' 0 N--CA 1.385 -3.717 0 CA-C-N 113.511 -1.677 . . . . 58.079999999999998 107.611 178.128 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 66.9 mtm-85 -58.27 -44.46 88.42 Favored 'General case' 0 C--O 1.176 -2.808 0 C-N-CA 118.189 -1.404 . . . . 33.640000000000001 114.019 175.912 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 38.9 mt -59.69 -43.85 93.9 Favored 'General case' 0 C--O 1.266 1.953 0 CA-C-N 120.843 1.656 . . . . 35.920000000000002 114.787 176.495 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 94.1 mt -57.36 -39.08 75.21 Favored 'General case' 0 N--CA 1.417 -2.122 0 N-CA-C 108.869 -0.789 . . . . 34.740000000000002 108.869 179.926 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -66.53 -25.73 72.74 Favored Glycine 0 CA--C 1.547 2.093 0 C-N-CA 127.276 2.37 . . . . 36.170000000000002 112.495 -176.069 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . . . -85.48 -4.88 59.3 Favored 'General case' 0 C--O 1.159 -3.67 0 O-C-N 121.9 -0.765 . . . . 39.380000000000003 111.751 177.602 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' ARG . . . . . 0.632 ' OXT' ' NH2' ' C' ' 33' ' ' ARG . 11.0 mtt180 . . . . . 0 C--N 1.31 -1.109 0 O-C-N 121.205 -0.934 . . . . 55.93 110.443 -177.347 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 1' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 . . . . . 0 CA--C 1.564 1.503 0 CA-C-O 117.236 -1.364 . . . . 61.700000000000003 114.197 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 2' ' ' MET . . . . . . . . . . . . . 54.1 tpp -56.71 -34.96 67.99 Favored 'General case' 0 C--O 1.164 -3.436 0 CA-C-N 120.617 1.553 . . . . 39.93 108.852 -175.442 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . . . -70.07 -29.69 66.75 Favored 'General case' 0 C--O 1.169 -3.173 0 O-C-N 120.269 -1.519 . . . . 38.119999999999997 112.512 179.357 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -76.13 -38.61 56.57 Favored 'General case' 0 N--CA 1.401 -2.904 0 C-N-CA 123.508 0.723 . . . . 37.130000000000003 109.993 175.907 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' ILE . . . . . . . . . . . . . 12.4 mt -56.05 -47.58 80.13 Favored 'Isoleucine or valine' 0 CA--C 1.613 3.388 0 N-CA-C 114.489 1.292 . . . . 31.609999999999999 114.489 168.046 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -60.3 -40.79 91.79 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 114.586 -1.188 . . . . 53.439999999999998 112.918 175.857 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -61.55 -51.52 68.24 Favored 'General case' 0 C--O 1.262 1.727 0 N-CA-C 105.258 -2.127 . . . . 38.390000000000001 105.258 -178.407 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 6.6 tpp180 -64.51 -36.12 83.18 Favored 'General case' 0 C--O 1.202 -1.419 0 O-C-N 124.894 1.371 . . . . 60.740000000000002 112.734 -176.062 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -38.9 81.27 Favored 'General case' 0 C--N 1.296 -1.74 0 CA-C-O 122.909 1.338 . . . . 31.77 113.668 170.854 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . 0.281 89.3 mt-10 -63.14 -43.4 98.47 Favored 'General case' 0 C--O 1.279 2.645 0 O-C-N 119.962 -1.711 . . . . 50.880000000000003 114.581 174.802 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . . . -63.13 -37.65 88.05 Favored 'General case' 0 C--O 1.158 -3.711 0 CA-C-O 122.384 1.087 . . . . 23.870000000000001 111.729 176.291 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 51.2 mt -63.06 -52.72 55.62 Favored 'Isoleucine or valine' 0 C--O 1.173 -2.934 0 O-C-N 120.606 -1.309 . . . . 28.859999999999999 108.543 -179.38 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 53.4 mt -49.42 -45.77 46.8 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-O 122.926 1.346 . . . . 30.359999999999999 113.538 175.638 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 14' ' ' SER . . . . . 0.454 ' O ' ' CD2' ' C' ' 18' ' ' HIS . 0.5 OUTLIER -68.87 -42.29 77.23 Favored 'General case' 0 N--CA 1.426 -1.632 0 O-C-N 120.637 -1.289 . . . . 31.129999999999999 108.174 -173.719 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . . . -63.81 -46.3 85.77 Favored 'General case' 0 C--O 1.247 0.948 0 CA-C-O 117.883 -1.056 . . . . 41.869999999999997 111.773 174.86 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 28.3 mt -52.52 -46.3 66.62 Favored 'General case' 0 C--O 1.267 2.022 0 N-CA-C 114.786 1.402 . . . . 31.370000000000001 114.786 174.189 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -54.91 -36.95 65.74 Favored 'General case' 0 C--O 1.262 1.716 0 C-N-CA 118.484 -1.286 . . . . 48.18 114.128 177.667 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 18' ' ' HIS . . . . . 0.454 ' CD2' ' O ' ' C' ' 14' ' ' SER . 98.0 m-70 -80.7 -29.16 36.48 Favored 'General case' 0 CA--C 1.462 -2.415 0 O-C-N 120.646 -1.284 . . . . 39.890000000000001 110.489 -177.171 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 6.6 mt -60.38 -43.86 94.77 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.018 0 CA-C-O 121.842 0.829 . . . . 29.899999999999999 112.873 171.406 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 96.3 m -59.77 -49.37 77.99 Favored 'General case' 0 C--O 1.247 0.93 0 N-CA-C 115.07 1.507 . . . . 31.460000000000001 115.07 171.277 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 21' ' ' ASN . . . . . 0.498 ' HB2' ' O ' ' C' 2003 ' ' HOH . 93.2 m-20 -55.82 -43.55 77.03 Favored 'General case' 0 C--O 1.199 -1.603 0 CA-C-O 122.203 1.002 . . . . 41.890000000000001 108.489 175.42 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -63.13 -48.32 79.03 Favored 'General case' 0 C--O 1.3 3.724 0 N-CA-C 114.392 1.256 . . . . 53.159999999999997 114.392 -178.357 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 73.4 mt -58.7 -40.53 83.91 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-N 115.992 -0.549 . . . . 31.789999999999999 112.195 171.952 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.63 -39.56 93.92 Favored 'General case' 0 CA--C 1.577 1.993 0 C-N-CA 116.665 -2.014 . . . . 34.850000000000001 110.389 174.876 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 25' ' ' ARG . . . . . 0.489 ' NH2' ' O ' ' C' 2003 ' ' HOH . 82.6 mtm-85 -65.53 -42.39 92.04 Favored 'General case' 0 C--O 1.27 2.145 0 CA-C-N 121.083 1.765 . . . . 55.990000000000002 107.713 179.231 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 15.6 mt -54.19 -50.31 56.43 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.051 0 CA-C-O 121.835 0.826 . . . . 38.649999999999999 113.136 178.056 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 67.6 ttt-85 -58.4 -28.84 65.58 Favored 'General case' 0 C--O 1.197 -1.706 0 CA-C-N 113.408 -1.724 . . . . 52.829999999999998 112.492 172.049 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 28' ' ' ARG . . . . . . . . . . . . . . . -69.48 -43.78 72.5 Favored 'General case' 0 N--CA 1.53 3.572 0 O-C-N 120.315 -1.491 . . . . 48.310000000000002 109.332 177.787 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . . . -64.24 -51.79 61.89 Favored 'General case' 0 N--CA 1.396 -3.141 0 C-N-CA 125.6 1.56 . . . . 46.539999999999999 111.051 179.657 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 72.8 mt -54.16 -40.79 67.79 Favored 'General case' 1 C--O 1.141 -4.656 0 O-C-N 120.016 -1.678 . . . . 44.780000000000001 109.327 175.543 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.0 -21.7 61.67 Favored Glycine 0 C--N 1.298 -1.566 0 N-CA-C 117.986 1.954 . . . . 47.200000000000003 117.986 174.23 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -96.36 10.54 37.75 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 115.667 1.729 . . . . 53.460000000000001 115.667 -178.803 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 33' ' ' ARG . . . . . 0.632 ' NH2' ' OXT' ' B' ' 33' ' ' ARG . 0.4 OUTLIER . . . . . 0 CA--C 1.495 -1.155 0 CA-C-O 124.604 2.145 . . . . 67.379999999999995 113.387 -173.151 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 1' ' ' ARG . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.541 4.104 0 N-CA-C 103.341 -2.837 . . . . 43.609999999999999 103.341 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 2' ' ' MET . . . . . . . . . . . . . 9.2 tpp -49.42 -44.38 45.28 Favored 'General case' 0 CA--C 1.597 2.759 0 N-CA-C 118.151 2.649 . . . . 53.280000000000001 118.151 165.796 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 3' ' ' ARG . . . . . . . . . . . . . . . -55.45 -42.57 74.42 Favored 'General case' 0 C--O 1.165 -3.374 0 CA-C-O 121.417 0.627 . . . . 42.380000000000003 109.58 172.117 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . . . -60.91 -54.45 44.88 Favored 'General case' 0 C--O 1.175 -2.85 0 O-C-N 120.413 -1.429 . . . . 43.119999999999997 110.679 178.114 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 5' ' ' ILE . . . . . . . . . . . . . 19.2 mt -42.15 -52.9 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.134 0 CA-C-O 117.236 -1.364 . . . . 38.149999999999999 112.833 170.178 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 6' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -59.22 -39.29 82.24 Favored 'General case' 1 C--O 1.134 -5.024 0 O-C-N 124.752 1.282 . . . . 52.25 114.041 177.17 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -65.67 -40.26 92.22 Favored 'General case' 0 N--CA 1.425 -1.704 0 O-C-N 120.475 -1.391 . . . . 46.899999999999999 113.496 170.789 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 8' ' ' ARG . . . . . . . . . . . . . . . -68.92 -40.91 78.8 Favored 'General case' 0 CA--C 1.57 1.736 0 N-CA-C 108.324 -0.991 . . . . 35.990000000000002 108.324 -178.807 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 39.2 mt -60.61 -42.88 97.7 Favored 'General case' 0 C--O 1.283 2.858 0 C-N-CA 119.858 -0.737 . . . . 33.100000000000001 110.856 174.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -54.45 -48.47 71.7 Favored 'General case' 0 N--CA 1.433 -1.28 0 N-CA-C 113.901 1.074 . . . . 44.390000000000001 113.901 174.164 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -61.13 -48.83 79.81 Favored 'General case' 0 C--N 1.372 1.575 0 N-CA-C 107.579 -1.267 . . . . 52.049999999999997 107.579 176.609 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 30.5 mt -51.79 -44.98 37.72 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.364 0 C-N-CA 117.666 -1.614 . . . . 37.630000000000003 112.428 176.448 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 18.3 mt -51.78 -56.37 14.28 Favored 'General case' 0 CA--C 1.475 -1.941 0 CA-C-N 114.812 -1.085 . . . . 38.670000000000002 113.21 178.717 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 14' ' ' SER . . . . . . . . . . . . . 15.1 t -51.23 -42.06 60.74 Favored 'General case' 0 C--N 1.305 -1.352 0 CA-C-N 114.021 -1.445 . . . . 30.5 113.968 176.321 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -71.88 -32.33 67.34 Favored 'General case' 0 CA--C 1.598 2.792 0 C-N-CA 117.42 -1.712 . . . . 53.009999999999998 111.447 177.556 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 20.6 mt -64.5 -44.02 92.27 Favored 'General case' 0 C--O 1.292 3.304 0 N-CA-C 115.695 1.739 . . . . 36.119999999999997 115.695 178.706 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 17' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -62.59 -44.36 96.5 Favored 'General case' 0 CA--C 1.443 -3.166 0 C-N-CA 125.084 1.354 . . . . 32.07 113.97 174.401 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 18' ' ' HIS . . . . . 0.51 ' O ' ' HG3' ' D' ' 22' ' ' GLU . 28.9 m170 -60.33 -37.54 80.93 Favored 'General case' 0 C--O 1.208 -1.101 0 O-C-N 122.265 -0.272 . . . . 42.32 111.6 172.037 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 19' ' ' ILE . . . . . . . . . . . . . 12.3 mt -64.61 -46.47 92.37 Favored 'Isoleucine or valine' 0 C--O 1.269 2.101 0 O-C-N 119.709 -1.869 . . . . 31.399999999999999 112.796 173.936 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 20' ' ' CYS . . . . . . . . . . . . . 90.2 m -55.24 -49.62 71.55 Favored 'General case' 0 C--N 1.392 2.438 0 O-C-N 124.497 1.123 . . . . 31.129999999999999 109.268 176.877 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 21' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -58.74 -37.83 77.06 Favored 'General case' 0 N--CA 1.508 2.446 0 C-N-CA 117.45 -1.7 . . . . 33.880000000000003 110.778 -177.827 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 22' ' ' GLU . . . . . 0.51 ' HG3' ' O ' ' D' ' 18' ' ' HIS . 49.8 mt-10 -75.08 -32.1 61.38 Favored 'General case' 0 CA--C 1.56 1.349 0 CA-C-O 121.441 0.638 . . . . 33.310000000000002 110.114 -179.62 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 98.5 mt -65.71 -42.09 91.55 Favored 'General case' 0 N--CA 1.5 2.044 0 N-CA-C 113.868 1.062 . . . . 25.690000000000001 113.868 176.923 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.11 -45.74 90.1 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-O 124.38 2.038 . . . . 26.170000000000002 111.5 172.924 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 -60.56 -46.25 90.89 Favored 'General case' 0 N--CA 1.44 -0.944 0 O-C-N 120.267 -1.521 . . . . 41.490000000000002 107.806 -178.252 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 26' ' ' ILE . . . . . . . . . . . . . 73.0 mt -58.07 -45.65 88.26 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.574 0 O-C-N 119.633 -1.917 . . . . 28.920000000000002 111.093 176.143 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 27' ' ' ARG . . . . . . . . . . . . . . . -48.79 -51.07 31.2 Favored 'General case' 0 C--O 1.208 -1.13 0 N-CA-C 114.302 1.223 . . . . 35.719999999999999 114.302 171.988 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 28' ' ' ARG . . . . . . . . . . . . . 83.8 mtm-85 -62.44 -45.46 92.98 Favored 'General case' 0 C--N 1.363 1.179 0 O-C-N 120.753 -1.217 . . . . 33.780000000000001 111.118 177.125 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 29' ' ' LEU . . . . . . . . . . . . . 49.7 mt -53.24 -48.45 68.19 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 122.198 0.999 . . . . 36.039999999999999 111.476 179.027 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 44.9 mt -56.15 -48.33 76.48 Favored 'General case' 0 C--O 1.266 1.955 0 CA-C-N 113.585 -1.643 . . . . 33.909999999999997 112.048 174.938 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 31' ' ' GLY . . . . . . . . . . . . . . . -65.67 -10.97 52.31 Favored Glycine 1 CA--C 1.583 4.33 0 N-CA-C 115.623 1.009 . . . . 36.659999999999997 115.623 179.912 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 32' ' ' GLU . . . . . . . . . . . . . . . -98.67 2.65 47.36 Favored 'General case' 0 C--O 1.286 3.011 0 N-CA-C 115.563 1.69 . . . . 41.280000000000001 115.563 173.149 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 74.3 mtp85 . . . . . 0 CA--C 1.489 -1.367 0 O-C-N 119.86 -1.775 . . . . 48.090000000000003 112.29 -176.658 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C 2003 ' ' HOH . . . . . 0.498 ' O ' ' HB2' ' C' ' 21' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_