data_1unx_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 1unx _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' ' ' ARG . . . . . . . . . . . . . 4.5 mtm105 . . . . . 0 N--CA 1.504 2.226 0 N-CA-C 105.077 -2.194 . . . . 87.269999999999996 105.077 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 87.9 mmm -78.95 -18.45 53.75 Favored 'General case' 0 N--CA 1.404 -2.757 0 N-CA-C 116.487 2.032 . . . . 64.219999999999999 116.487 -173.287 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.21 -47.28 14.89 Favored 'General case' 2 CA--C 1.407 -4.52 0 N-CA-C 103.398 -2.816 . . . . 80.219999999999999 103.398 -174.427 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -36.36 71.15 Favored 'General case' 1 N--CA 1.375 -4.183 0 O-C-N 127.614 3.071 . . . . 78.879999999999995 116.182 171.527 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 89.8 mt -69.11 -60.09 2.85 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.498 0 CA-C-N 122.015 2.189 . . . . 49.689999999999998 109.886 176.644 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLU . . . . . 0.468 ' CG ' ' NE2' ' B' ' 4' ' ' GLN . 1.4 tm-20 -33.45 -49.85 0.3 Allowed 'General case' 0 C--O 1.191 -1.979 1 N-CA-C 122.472 4.249 . . . . 72.879999999999995 122.472 166.017 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -60.33 -42.13 94.98 Favored 'General case' 0 C--N 1.27 -2.86 0 CA-C-N 114.025 -1.443 . . . . 46.729999999999997 111.055 174.353 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.6 mmtt -62.01 -39.15 91.26 Favored 'General case' 1 C--O 1.141 -4.64 0 N-CA-C 114.182 1.179 . . . . 54.890000000000001 114.182 172.284 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.44 -38.4 84.45 Favored 'General case' 0 C--N 1.293 -1.875 0 C-N-CA 127.819 2.448 . . . . 40.810000000000002 113.444 -179.692 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . 0.359 4.3 tp10 -63.73 -44.12 94.51 Favored 'General case' 0 CA--C 1.609 3.249 0 CA-C-N 114.269 -1.332 . . . . 42.579999999999998 109.63 169.417 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLU . . . . . 0.52 ' CG ' ' NZ ' ' A' ' 15' ' ' LYS . 76.6 tt0 -60.49 -44.88 95.49 Favored 'General case' 0 N--CA 1.419 -2.012 0 O-C-N 117.738 -3.101 . . . . 40.109999999999999 117.933 171.798 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.8 mt -63.47 -42.55 96.63 Favored 'Isoleucine or valine' 1 C--O 1.1 -6.812 0 N-CA-C 106.621 -1.622 . . . . 29.960000000000001 106.621 -177.011 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.22 -36.93 85.68 Favored 'General case' 0 C--N 1.275 -2.665 0 CA-C-O 126.163 2.887 . . . . 35.219999999999999 116.914 177.338 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.9 t -59.56 -41.81 90.99 Favored 'General case' 0 C--O 1.154 -3.963 0 CA-C-O 113.877 -2.963 . . . . 27.210000000000001 113.502 169.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . 0.52 ' NZ ' ' CG ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -61.82 -35.3 77.83 Favored 'General case' 1 C--O 1.128 -5.296 0 CA-C-N 124.461 3.301 . . . . 55.219999999999999 110.453 169.107 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 41.6 mt -66.12 -45.38 81.29 Favored 'General case' 0 C--N 1.288 -2.086 0 O-C-N 119.816 -1.803 . . . . 31.989999999999998 112.427 -179.155 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -49.42 -44.46 45.41 Favored 'General case' 0 N--CA 1.516 2.833 0 N-CA-C 121.73 3.974 . . . . 30.84 121.73 161.841 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -61.84 -48.15 81.85 Favored 'General case' 0 N--CA 1.387 -3.621 0 CA-C-O 116.876 -1.535 . . . . 50.909999999999997 113.595 171.967 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.283 25.0 mt -52.35 -40.13 30.68 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.246 0 N-CA-C 116.025 1.861 . . . . 34.82 116.025 173.611 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.318 56.3 mt-10 -59.86 -47.94 83.69 Favored 'General case' 0 C--O 1.172 -2.996 0 N-CA-C 121.617 3.932 . . . . 52.240000000000002 121.617 166.749 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 61.2 m-20 -56.7 -43.9 80.98 Favored 'General case' 0 N--CA 1.426 -1.654 0 CA-C-O 118.647 -0.692 . . . . 45.43 111.435 173.345 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -54.86 -46.18 74.68 Favored 'General case' 0 N--CA 1.42 -1.945 0 CA-C-O 117.26 -1.352 . . . . 44.630000000000003 110.177 174.565 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 71.8 m -65.58 -40.13 92.38 Favored 'General case' 0 N--CA 1.514 2.732 0 N-CA-C 107.862 -1.162 . . . . 49.590000000000003 107.862 -176.385 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.29 -55.24 37.27 Favored 'General case' 0 C--O 1.169 -3.175 0 O-C-N 125.527 1.767 . . . . 47.909999999999997 113.212 177.261 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.14 -60.21 0.78 Allowed 'General case' 0 C--O 1.169 -3.158 0 N-CA-C 120.663 3.579 . . . . 83.640000000000001 120.663 157.123 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.7 mt -53.91 -35.62 28.44 Favored 'Isoleucine or valine' 0 C--O 1.171 -3.044 0 N-CA-C 119.339 3.088 . . . . 49.100000000000001 119.339 174.261 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.51 -51.41 65.65 Favored 'General case' 0 N--CA 1.425 -1.683 0 C-N-CA 127.214 2.206 . . . . 57.219999999999999 110.613 177.075 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -49.47 -58.17 5.65 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 129.444 3.098 . . . . 75.689999999999998 112.041 167.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 mt -53.94 -19.4 4.56 Favored 'General case' 0 CA--C 1.571 1.763 0 N-CA-C 115.335 1.606 . . . . 70.409999999999997 115.335 169.688 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.84 -61.68 1.35 Allowed 'General case' 0 C--O 1.246 0.911 0 C-N-CA 123.923 0.889 . . . . 76.329999999999998 111.679 -173.872 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -139.76 -76.58 0.05 OUTLIER Glycine 0 CA--C 1.495 -1.207 2 CA-C-O 109.078 -6.401 . . . . 76.980000000000004 101.449 171.882 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--N 1.279 -2.485 1 O-C-N 134.3 6.529 . . . . 78.299999999999997 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' ARG . . . . . 0.478 ' C ' ' N ' ' B' ' 3' ' ' LYS . 0.0 OUTLIER . . . . . 1 CA--C 1.641 4.474 0 N-CA-C 120.206 3.41 . . . . 86.390000000000001 120.206 . . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . . . -48.7 3.02 0.01 OUTLIER 'General case' 0 C--O 1.199 -1.565 0 O-C-N 117.707 -3.121 . . . . 68.269999999999996 113.309 154.37 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' LYS . . . . . 0.478 ' N ' ' C ' ' B' ' 1' ' ' ARG . 0.0 OUTLIER -112.02 -19.05 12.47 Favored 'General case' 0 CA--C 1.478 -1.802 0 N-CA-C 115.878 1.807 . . . . 86.519999999999996 115.878 175.743 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' GLN . . . . . 0.468 ' NE2' ' CG ' ' A' ' 6' ' ' GLU . 5.8 pt20 -70.92 -46.71 62.02 Favored 'General case' 0 C--O 1.178 -2.669 0 O-C-N 126.311 2.257 . . . . 82.159999999999997 105.177 166.597 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 25.4 mt -47.36 -42.7 7.87 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.147 0 O-C-N 119.893 -1.755 . . . . 56.850000000000001 112.283 171.754 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.36 -34.98 54.97 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-O 124.464 2.078 . . . . 73.140000000000001 109.491 -164.681 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -69.43 -40.09 77.46 Favored 'General case' 0 C--N 1.289 -2.06 0 CA-C-N 112.373 -2.194 . . . . 65.620000000000005 113.695 175.862 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . 0.256 1.3 ttmm -72.55 -34.33 67.44 Favored 'General case' 0 N--CA 1.428 -1.563 0 O-C-N 125.001 1.438 . . . . 59.049999999999997 111.089 178.37 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . 0.726 0.1 OUTLIER -69.42 -25.41 64.11 Favored 'General case' 0 N--CA 1.393 -3.315 0 N-CA-C 117.888 2.551 . . . . 58.520000000000003 117.888 172.842 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -76.73 -27.88 55.57 Favored 'General case' 1 N--CA 1.377 -4.083 0 CA-C-O 124.378 2.037 . . . . 62.539999999999999 112.806 172.865 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -78.14 -39.52 40.9 Favored 'General case' 0 C--O 1.169 -3.136 0 CA-C-N 111.926 -2.397 . . . . 61.259999999999998 113.112 177.57 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 53.3 mt -55.74 -54.76 22.66 Favored 'Isoleucine or valine' 0 C--O 1.304 3.95 0 O-C-N 125.53 1.769 . . . . 31.18 109.249 167.58 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . 0.351 1.1 tp -42.53 -56.31 3.12 Favored 'General case' 0 C--O 1.279 2.655 1 N-CA-C 124.159 4.874 . . . . 46.280000000000001 124.159 170.879 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.42 -42.78 83.03 Favored 'General case' 1 CA--C 1.396 -4.958 0 CA-C-O 116.348 -1.787 . . . . 39.920000000000002 115.718 167.234 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -43.35 90.02 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 117.877 2.547 . . . . 44.5 117.877 172.644 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -45.1 -43.61 9.79 Favored 'General case' 0 C--O 1.187 -2.192 0 N-CA-C 117.74 2.496 . . . . 31.93 117.74 161.433 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -77.19 -49.2 15.68 Favored 'General case' 0 CA--C 1.437 -3.392 0 N-CA-C 100.65 -3.833 . . . . 54.780000000000001 100.65 -171.303 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -47.01 -41.57 16.67 Favored 'General case' 0 C--O 1.17 -3.113 0 N-CA-C 119.143 3.016 . . . . 44.990000000000002 119.143 170.704 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 51.6 mt -78.14 -35.82 20.54 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.342 0 O-C-N 119.167 -2.208 . . . . 32.719999999999999 113.767 179.857 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -54.2 -36.0 62.97 Favored 'General case' 0 C--O 1.257 1.462 0 O-C-N 120.101 -1.624 . . . . 42.310000000000002 111.549 168.764 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -75.99 -48.04 22.58 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 113.345 -1.752 . . . . 32.5 106.283 -178.226 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -65.29 -38.97 91.89 Favored 'General case' 0 C--O 1.172 -3.018 0 C-N-CA 114.289 -2.964 . . . . 44.409999999999997 105.233 -175.801 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.39 -24.17 60.27 Favored 'General case' 0 N--CA 1.497 1.924 0 CA-C-O 125.143 2.402 . . . . 39.75 117.051 -176.642 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.8 -45.75 67.24 Favored 'General case' 0 C--O 1.178 -2.665 0 O-C-N 119.655 -1.903 . . . . 36.719999999999999 108.913 178.224 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.32 -50.11 16.72 Favored 'General case' 0 N--CA 1.436 -1.151 0 N-CA-C 115.765 1.765 . . . . 78.150000000000006 115.765 169.906 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 80.3 mt -68.83 -40.63 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.171 0 C-N-CA 125.386 1.474 . . . . 48.479999999999997 112.554 175.22 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -59.77 -28.22 67.21 Favored 'General case' 0 C--N 1.288 -2.093 0 C-N-CA 115.429 -2.508 . . . . 70.840000000000003 111.866 177.382 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt -86.46 -42.13 13.84 Favored 'General case' 0 N--CA 1.404 -2.738 0 CA-C-N 112.668 -2.06 . . . . 63.880000000000003 110.317 -171.982 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' LEU . . . . . 1.579 ' CD1' ' CG ' ' B' ' 29' ' ' LEU . 6.4 mt -36.77 -78.74 0.02 OUTLIER 'General case' 0 C--O 1.186 -2.286 0 C-N-CA 125.753 1.621 . . . . 67.530000000000001 111.737 158.352 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.57 -29.13 24.01 Favored 'General case' 0 N--CA 1.419 -2.003 0 C-N-CA 124.448 1.099 . . . . 69.209999999999994 110.721 -177.25 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -70.83 18.63 0.79 Allowed Glycine 0 CA--C 1.527 0.784 0 C-N-CA 123.791 0.71 . . . . 78.390000000000001 114.716 -179.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.19 -33.95 0.35 Allowed 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.827 -0.807 . . . . 88.129999999999995 112.676 173.174 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' ARG . . . . . 0.423 ' CD ' ' O ' ' B' ' 29' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.255 1.369 1 CA-C-O 104.897 -7.239 . . . . 91.290000000000006 103.169 168.942 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.5 mtm105 . . . . . 0 N--CA 1.504 2.226 0 N-CA-C 105.077 -2.194 . . . . 87.269999999999996 105.077 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 87.9 mmm -78.95 -18.45 53.75 Favored 'General case' 0 N--CA 1.404 -2.757 0 N-CA-C 116.487 2.032 . . . . 64.219999999999999 116.487 -173.287 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.21 -47.28 14.89 Favored 'General case' 2 CA--C 1.407 -4.52 0 N-CA-C 103.398 -2.816 . . . . 80.219999999999999 103.398 -174.427 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -36.36 71.15 Favored 'General case' 1 N--CA 1.375 -4.183 0 O-C-N 127.614 3.071 . . . . 78.879999999999995 116.182 171.527 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 89.8 mt -69.11 -60.09 2.85 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.498 0 CA-C-N 122.015 2.189 . . . . 49.689999999999998 109.886 176.644 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLU . . . . . 0.79 ' HG3' ' OE1' ' B' ' 4' ' ' GLN . 1.4 tm-20 -33.45 -49.85 0.3 Allowed 'General case' 0 C--O 1.191 -1.979 1 N-CA-C 122.472 4.249 . . . . 72.879999999999995 122.472 166.017 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -60.33 -42.13 94.98 Favored 'General case' 0 C--N 1.27 -2.86 0 CA-C-N 114.025 -1.443 . . . . 46.729999999999997 111.055 174.353 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.6 mmtt -62.01 -39.15 91.26 Favored 'General case' 1 C--O 1.141 -4.64 0 N-CA-C 114.182 1.179 . . . . 54.890000000000001 114.182 172.284 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.44 -38.4 84.45 Favored 'General case' 0 C--N 1.293 -1.875 0 C-N-CA 127.819 2.448 . . . . 40.810000000000002 113.444 -179.692 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . 0.359 4.3 tp10 -63.73 -44.12 94.51 Favored 'General case' 0 CA--C 1.609 3.249 0 CA-C-N 114.269 -1.332 . . . . 42.579999999999998 109.63 169.417 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLU . . . . . 0.52 ' CG ' ' NZ ' ' A' ' 15' ' ' LYS . 76.6 tt0 -60.49 -44.88 95.49 Favored 'General case' 0 N--CA 1.419 -2.012 0 O-C-N 117.738 -3.101 . . . . 40.109999999999999 117.933 171.798 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.8 mt -63.47 -42.55 96.63 Favored 'Isoleucine or valine' 1 C--O 1.1 -6.812 0 N-CA-C 106.621 -1.622 . . . . 29.960000000000001 106.621 -177.011 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.22 -36.93 85.68 Favored 'General case' 0 C--N 1.275 -2.665 0 CA-C-O 126.163 2.887 . . . . 35.219999999999999 116.914 177.338 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.9 t -59.56 -41.81 90.99 Favored 'General case' 0 C--O 1.154 -3.963 0 CA-C-O 113.877 -2.963 . . . . 27.210000000000001 113.502 169.585 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . 0.52 ' NZ ' ' CG ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -61.82 -35.3 77.83 Favored 'General case' 1 C--O 1.128 -5.296 0 CA-C-N 124.461 3.301 . . . . 55.219999999999999 110.453 169.107 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 41.6 mt -66.12 -45.38 81.29 Favored 'General case' 0 C--N 1.288 -2.086 0 O-C-N 119.816 -1.803 . . . . 31.989999999999998 112.427 -179.155 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -49.42 -44.46 45.41 Favored 'General case' 0 N--CA 1.516 2.833 0 N-CA-C 121.73 3.974 . . . . 30.84 121.73 161.841 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -61.84 -48.15 81.85 Favored 'General case' 0 N--CA 1.387 -3.621 0 CA-C-O 116.876 -1.535 . . . . 50.909999999999997 113.595 171.967 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 15' ' ' LYS 0.283 25.0 mt -52.35 -40.13 30.68 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.246 0 N-CA-C 116.025 1.861 . . . . 34.82 116.025 173.611 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.318 56.3 mt-10 -59.86 -47.94 83.69 Favored 'General case' 0 C--O 1.172 -2.996 0 N-CA-C 121.617 3.932 . . . . 52.240000000000002 121.617 166.749 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 61.2 m-20 -56.7 -43.9 80.98 Favored 'General case' 0 N--CA 1.426 -1.654 0 CA-C-O 118.647 -0.692 . . . . 45.43 111.435 173.345 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLU . . . . . 0.507 ' O ' HG13 ' A' ' 26' ' ' ILE . 16.9 mt-10 -54.86 -46.18 74.68 Favored 'General case' 0 N--CA 1.42 -1.945 0 CA-C-O 117.26 -1.352 . . . . 44.630000000000003 110.177 174.565 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 71.8 m -65.58 -40.13 92.38 Favored 'General case' 0 N--CA 1.514 2.732 0 N-CA-C 107.862 -1.162 . . . . 49.590000000000003 107.862 -176.385 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.29 -55.24 37.27 Favored 'General case' 0 C--O 1.169 -3.175 0 O-C-N 125.527 1.767 . . . . 47.909999999999997 113.212 177.261 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ARG . . . . . 0.693 ' HG3' ' NZ ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -38.14 -60.21 0.78 Allowed 'General case' 0 C--O 1.169 -3.158 0 N-CA-C 120.663 3.579 . . . . 83.640000000000001 120.663 157.123 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 22' ' ' GLU . 2.7 mt -53.91 -35.62 28.44 Favored 'Isoleucine or valine' 0 C--O 1.171 -3.044 0 N-CA-C 119.339 3.088 . . . . 49.100000000000001 119.339 174.261 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.51 -51.41 65.65 Favored 'General case' 0 N--CA 1.425 -1.683 0 C-N-CA 127.214 2.206 . . . . 57.219999999999999 110.613 177.075 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LYS . . . . . 0.693 ' NZ ' ' HG3' ' A' ' 25' ' ' ARG . 1.6 tttm -49.47 -58.17 5.65 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 129.444 3.098 . . . . 75.689999999999998 112.041 167.78 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 mt -53.94 -19.4 4.56 Favored 'General case' 0 CA--C 1.571 1.763 0 N-CA-C 115.335 1.606 . . . . 70.409999999999997 115.335 169.688 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -97.84 -61.68 1.35 Allowed 'General case' 0 C--O 1.246 0.911 0 C-N-CA 123.923 0.889 . . . . 76.329999999999998 111.679 -173.872 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -139.76 -76.58 0.05 OUTLIER Glycine 0 CA--C 1.495 -1.207 2 CA-C-O 109.078 -6.401 . . . . 76.980000000000004 101.449 171.882 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--N 1.279 -2.485 1 O-C-N 134.3 6.529 . . . . 78.299999999999997 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 1' ' ' ARG . . . . . 0.525 ' C ' ' H ' ' B' ' 3' ' ' LYS . 0.0 OUTLIER . . . . . 1 CA--C 1.641 4.474 0 N-CA-C 120.206 3.41 . . . . 86.390000000000001 120.206 . . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . . . -48.7 3.02 0.01 OUTLIER 'General case' 0 C--O 1.199 -1.565 0 O-C-N 117.707 -3.121 . . . . 68.269999999999996 113.309 154.37 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' LYS . . . . . 0.607 ' HE2' ' HB2' ' B' ' 6' ' ' GLU . 0.0 OUTLIER -112.02 -19.05 12.47 Favored 'General case' 0 CA--C 1.478 -1.802 0 N-CA-C 115.878 1.807 . . . . 86.519999999999996 115.878 175.743 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 4' ' ' GLN . . . . . 0.79 ' OE1' ' HG3' ' A' ' 6' ' ' GLU . 2.5 pt20 -70.92 -46.71 62.02 Favored 'General case' 0 C--O 1.178 -2.669 0 O-C-N 126.311 2.257 . . . . 82.159999999999997 105.177 166.597 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 5' ' ' ILE . . . . . 0.725 ' O ' HD22 ' B' ' 9' ' ' LEU . 25.4 mt -47.36 -42.7 7.87 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.147 0 O-C-N 119.893 -1.755 . . . . 56.850000000000001 112.283 171.754 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLU . . . . . 0.607 ' HB2' ' HE2' ' B' ' 3' ' ' LYS . 0.3 OUTLIER -77.36 -34.98 54.97 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-O 124.464 2.078 . . . . 73.140000000000001 109.491 -164.681 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -69.43 -40.09 77.46 Favored 'General case' 0 C--N 1.289 -2.06 0 CA-C-N 112.373 -2.194 . . . . 65.620000000000005 113.695 175.862 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' LYS . . . . . 0.483 ' HD2' ' OE2' ' A' ' 6' ' ' GLU 0.256 1.3 ttmm -72.55 -34.33 67.44 Favored 'General case' 0 N--CA 1.428 -1.563 0 O-C-N 125.001 1.438 . . . . 59.049999999999997 111.089 178.37 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 9' ' ' LEU . . . . . 0.725 HD22 ' O ' ' B' ' 5' ' ' ILE 0.726 0.1 OUTLIER -69.42 -25.41 64.11 Favored 'General case' 0 N--CA 1.393 -3.315 0 N-CA-C 117.888 2.551 . . . . 58.520000000000003 117.888 172.842 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -76.73 -27.88 55.57 Favored 'General case' 1 N--CA 1.377 -4.083 0 CA-C-O 124.378 2.037 . . . . 62.539999999999999 112.806 172.865 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -78.14 -39.52 40.9 Favored 'General case' 0 C--O 1.169 -3.136 0 CA-C-N 111.926 -2.397 . . . . 61.259999999999998 113.112 177.57 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 53.3 mt -55.74 -54.76 22.66 Favored 'Isoleucine or valine' 0 C--O 1.304 3.95 0 O-C-N 125.53 1.769 . . . . 31.18 109.249 167.58 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . 0.351 1.1 tp -42.53 -56.31 3.12 Favored 'General case' 0 C--O 1.279 2.655 1 N-CA-C 124.159 4.874 . . . . 46.280000000000001 124.159 170.879 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.42 -42.78 83.03 Favored 'General case' 1 CA--C 1.396 -4.958 0 CA-C-O 116.348 -1.787 . . . . 39.920000000000002 115.718 167.234 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -43.35 90.02 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 117.877 2.547 . . . . 44.5 117.877 172.644 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -45.1 -43.61 9.79 Favored 'General case' 0 C--O 1.187 -2.192 0 N-CA-C 117.74 2.496 . . . . 31.93 117.74 161.433 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -77.19 -49.2 15.68 Favored 'General case' 0 CA--C 1.437 -3.392 0 N-CA-C 100.65 -3.833 . . . . 54.780000000000001 100.65 -171.303 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' HIS . . . . . 0.403 ' O ' ' HG3' ' B' ' 22' ' ' GLU . 34.3 t-80 -47.01 -41.57 16.67 Favored 'General case' 0 C--O 1.17 -3.113 0 N-CA-C 119.143 3.016 . . . . 44.990000000000002 119.143 170.704 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 19' ' ' ILE . . . . . 0.423 HD13 HG21 ' B' ' 19' ' ' ILE . 51.6 mt -78.14 -35.82 20.54 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.342 0 O-C-N 119.167 -2.208 . . . . 32.719999999999999 113.767 179.857 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -54.2 -36.0 62.97 Favored 'General case' 0 C--O 1.257 1.462 0 O-C-N 120.101 -1.624 . . . . 42.310000000000002 111.549 168.764 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -75.99 -48.04 22.58 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 113.345 -1.752 . . . . 32.5 106.283 -178.226 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' B' ' 18' ' ' HIS . 44.6 mt-10 -65.29 -38.97 91.89 Favored 'General case' 0 C--O 1.172 -3.018 0 C-N-CA 114.289 -2.964 . . . . 44.409999999999997 105.233 -175.801 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.39 -24.17 60.27 Favored 'General case' 0 N--CA 1.497 1.924 0 CA-C-O 125.143 2.402 . . . . 39.75 117.051 -176.642 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.8 -45.75 67.24 Favored 'General case' 0 C--O 1.178 -2.665 0 O-C-N 119.655 -1.903 . . . . 36.719999999999999 108.913 178.224 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ARG . . . . . 0.578 HH11 ' HD2' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -46.32 -50.11 16.72 Favored 'General case' 0 N--CA 1.436 -1.151 0 N-CA-C 115.765 1.765 . . . . 78.150000000000006 115.765 169.906 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 80.3 mt -68.83 -40.63 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.171 0 C-N-CA 125.386 1.474 . . . . 48.479999999999997 112.554 175.22 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -59.77 -28.22 67.21 Favored 'General case' 0 C--N 1.288 -2.093 0 C-N-CA 115.429 -2.508 . . . . 70.840000000000003 111.866 177.382 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' LYS . . . . . 0.578 ' HD2' HH11 ' B' ' 25' ' ' ARG . 4.8 ttmt -86.46 -42.13 13.84 Favored 'General case' 0 N--CA 1.404 -2.738 0 CA-C-N 112.668 -2.06 . . . . 63.880000000000003 110.317 -171.982 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 29' ' ' LEU . . . . . 1.579 ' CD1' ' CG ' ' B' ' 29' ' ' LEU . 6.4 mt -36.77 -78.74 0.02 OUTLIER 'General case' 0 C--O 1.186 -2.286 0 C-N-CA 125.753 1.621 . . . . 67.530000000000001 111.737 158.352 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.57 -29.13 24.01 Favored 'General case' 0 N--CA 1.419 -2.003 0 C-N-CA 124.448 1.099 . . . . 69.209999999999994 110.721 -177.25 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -70.83 18.63 0.79 Allowed Glycine 0 CA--C 1.527 0.784 0 C-N-CA 123.791 0.71 . . . . 78.390000000000001 114.716 -179.812 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' GLU . . . . . 0.632 ' HG3' ' O ' ' B' ' 29' ' ' LEU . 0.0 OUTLIER -145.19 -33.95 0.35 Allowed 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.827 -0.807 . . . . 88.129999999999995 112.676 173.174 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 33' ' ' ARG . . . . . 0.649 ' HD3' ' O ' ' B' ' 29' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.255 1.369 1 CA-C-O 104.897 -7.239 . . . . 91.290000000000006 103.169 168.942 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.5 mtm105 . . . . . 0 N--CA 1.504 2.226 0 N-CA-C 105.077 -2.194 . . . . 87.269999999999996 105.077 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 87.9 mmm -78.95 -18.45 53.75 Favored 'General case' 0 N--CA 1.404 -2.757 0 N-CA-C 116.487 2.032 . . . . 64.219999999999999 116.487 -173.287 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.21 -47.28 14.89 Favored 'General case' 2 CA--C 1.407 -4.52 0 N-CA-C 103.398 -2.816 . . . . 80.219999999999999 103.398 -174.427 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -36.36 71.15 Favored 'General case' 1 N--CA 1.375 -4.183 0 O-C-N 127.614 3.071 . . . . 78.879999999999995 116.182 171.527 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 89.8 mt -69.11 -60.09 2.85 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.498 0 CA-C-N 122.015 2.189 . . . . 49.689999999999998 109.886 176.644 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.947 ' HG3' ' NE2' ' B' ' 4' ' ' GLN . 1.4 tm-20 -33.45 -49.85 0.3 Allowed 'General case' 0 C--O 1.191 -1.979 1 N-CA-C 122.472 4.249 . . . . 72.879999999999995 122.472 166.017 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -60.33 -42.13 94.98 Favored 'General case' 0 C--N 1.27 -2.86 0 CA-C-N 114.025 -1.443 . . . . 46.729999999999997 111.055 174.353 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.6 mmtt -62.01 -39.15 91.26 Favored 'General case' 1 C--O 1.141 -4.64 0 N-CA-C 114.182 1.179 . . . . 54.890000000000001 114.182 172.284 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.44 -38.4 84.45 Favored 'General case' 0 C--N 1.293 -1.875 0 C-N-CA 127.819 2.448 . . . . 40.810000000000002 113.444 -179.692 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . 0.359 4.3 tp10 -63.73 -44.12 94.51 Favored 'General case' 0 CA--C 1.609 3.249 0 CA-C-N 114.269 -1.332 . . . . 42.579999999999998 109.63 169.417 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.52 ' CG ' ' NZ ' ' A' ' 15' ' ' LYS . 76.6 tt0 -60.49 -44.88 95.49 Favored 'General case' 0 N--CA 1.419 -2.012 0 O-C-N 117.738 -3.101 . . . . 40.109999999999999 117.933 171.798 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.8 mt -63.47 -42.55 96.63 Favored 'Isoleucine or valine' 1 C--O 1.1 -6.812 0 N-CA-C 106.621 -1.622 . . . . 29.960000000000001 106.621 -177.011 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.22 -36.93 85.68 Favored 'General case' 0 C--N 1.275 -2.665 0 CA-C-O 126.163 2.887 . . . . 35.219999999999999 116.914 177.338 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.9 t -59.56 -41.81 90.99 Favored 'General case' 0 C--O 1.154 -3.963 0 CA-C-O 113.877 -2.963 . . . . 27.210000000000001 113.502 169.585 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.52 ' NZ ' ' CG ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -61.82 -35.3 77.83 Favored 'General case' 1 C--O 1.128 -5.296 0 CA-C-N 124.461 3.301 . . . . 55.219999999999999 110.453 169.107 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 41.6 mt -66.12 -45.38 81.29 Favored 'General case' 0 C--N 1.288 -2.086 0 O-C-N 119.816 -1.803 . . . . 31.989999999999998 112.427 -179.155 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -49.42 -44.46 45.41 Favored 'General case' 0 N--CA 1.516 2.833 0 N-CA-C 121.73 3.974 . . . . 30.84 121.73 161.841 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -61.84 -48.15 81.85 Favored 'General case' 0 N--CA 1.387 -3.621 0 CA-C-O 116.876 -1.535 . . . . 50.909999999999997 113.595 171.967 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 15' ' ' LYS 0.283 25.0 mt -52.35 -40.13 30.68 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.246 0 N-CA-C 116.025 1.861 . . . . 34.82 116.025 173.611 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.318 56.3 mt-10 -59.86 -47.94 83.69 Favored 'General case' 0 C--O 1.172 -2.996 0 N-CA-C 121.617 3.932 . . . . 52.240000000000002 121.617 166.749 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 61.2 m-20 -56.7 -43.9 80.98 Favored 'General case' 0 N--CA 1.426 -1.654 0 CA-C-O 118.647 -0.692 . . . . 45.43 111.435 173.345 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.507 ' O ' HG13 ' A' ' 26' ' ' ILE . 16.9 mt-10 -54.86 -46.18 74.68 Favored 'General case' 0 N--CA 1.42 -1.945 0 CA-C-O 117.26 -1.352 . . . . 44.630000000000003 110.177 174.565 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 71.8 m -65.58 -40.13 92.38 Favored 'General case' 0 N--CA 1.514 2.732 0 N-CA-C 107.862 -1.162 . . . . 49.590000000000003 107.862 -176.385 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.29 -55.24 37.27 Favored 'General case' 0 C--O 1.169 -3.175 0 O-C-N 125.527 1.767 . . . . 47.909999999999997 113.212 177.261 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.693 ' HG3' ' NZ ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -38.14 -60.21 0.78 Allowed 'General case' 0 C--O 1.169 -3.158 0 N-CA-C 120.663 3.579 . . . . 83.640000000000001 120.663 157.123 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 22' ' ' GLU . 2.7 mt -53.91 -35.62 28.44 Favored 'Isoleucine or valine' 0 C--O 1.171 -3.044 0 N-CA-C 119.339 3.088 . . . . 49.100000000000001 119.339 174.261 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.51 -51.41 65.65 Favored 'General case' 0 N--CA 1.425 -1.683 0 C-N-CA 127.214 2.206 . . . . 57.219999999999999 110.613 177.075 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.693 ' NZ ' ' HG3' ' A' ' 25' ' ' ARG . 1.6 tttm -49.47 -58.17 5.65 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 129.444 3.098 . . . . 75.689999999999998 112.041 167.78 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 mt -53.94 -19.4 4.56 Favored 'General case' 0 CA--C 1.571 1.763 0 N-CA-C 115.335 1.606 . . . . 70.409999999999997 115.335 169.688 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -97.84 -61.68 1.35 Allowed 'General case' 0 C--O 1.246 0.911 0 C-N-CA 123.923 0.889 . . . . 76.329999999999998 111.679 -173.872 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -139.76 -76.58 0.05 OUTLIER Glycine 0 CA--C 1.495 -1.207 2 CA-C-O 109.078 -6.401 . . . . 76.980000000000004 101.449 171.882 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--N 1.279 -2.485 1 O-C-N 134.3 6.529 . . . . 78.299999999999997 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' ARG . . . . . 0.525 ' C ' ' H ' ' B' ' 3' ' ' LYS . 0.0 OUTLIER . . . . . 1 CA--C 1.641 4.474 0 N-CA-C 120.206 3.41 . . . . 86.390000000000001 120.206 . . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . . . -48.7 3.02 0.01 OUTLIER 'General case' 0 C--O 1.199 -1.565 0 O-C-N 117.707 -3.121 . . . . 68.269999999999996 113.309 154.37 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.607 ' HE2' ' HB2' ' B' ' 6' ' ' GLU . 0.0 OUTLIER -112.02 -19.05 12.47 Favored 'General case' 0 CA--C 1.478 -1.802 0 N-CA-C 115.878 1.807 . . . . 86.519999999999996 115.878 175.743 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' GLN . . . . . 0.947 ' NE2' ' HG3' ' A' ' 6' ' ' GLU . 5.8 pt20 -70.92 -46.71 62.02 Favored 'General case' 0 C--O 1.178 -2.669 0 O-C-N 126.311 2.257 . . . . 82.159999999999997 105.177 166.597 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.725 ' O ' HD22 ' B' ' 9' ' ' LEU . 25.4 mt -47.36 -42.7 7.87 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.147 0 O-C-N 119.893 -1.755 . . . . 56.850000000000001 112.283 171.754 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.607 ' HB2' ' HE2' ' B' ' 3' ' ' LYS . 0.3 OUTLIER -77.36 -34.98 54.97 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-O 124.464 2.078 . . . . 73.140000000000001 109.491 -164.681 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -69.43 -40.09 77.46 Favored 'General case' 0 C--N 1.289 -2.06 0 CA-C-N 112.373 -2.194 . . . . 65.620000000000005 113.695 175.862 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' LYS . . . . . 0.483 ' HD2' ' OE2' ' A' ' 6' ' ' GLU 0.256 1.3 ttmm -72.55 -34.33 67.44 Favored 'General case' 0 N--CA 1.428 -1.563 0 O-C-N 125.001 1.438 . . . . 59.049999999999997 111.089 178.37 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.725 HD22 ' O ' ' B' ' 5' ' ' ILE 0.726 0.1 OUTLIER -69.42 -25.41 64.11 Favored 'General case' 0 N--CA 1.393 -3.315 0 N-CA-C 117.888 2.551 . . . . 58.520000000000003 117.888 172.842 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -76.73 -27.88 55.57 Favored 'General case' 1 N--CA 1.377 -4.083 0 CA-C-O 124.378 2.037 . . . . 62.539999999999999 112.806 172.865 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -78.14 -39.52 40.9 Favored 'General case' 0 C--O 1.169 -3.136 0 CA-C-N 111.926 -2.397 . . . . 61.259999999999998 113.112 177.57 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 53.3 mt -55.74 -54.76 22.66 Favored 'Isoleucine or valine' 0 C--O 1.304 3.95 0 O-C-N 125.53 1.769 . . . . 31.18 109.249 167.58 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . 0.351 1.1 tp -42.53 -56.31 3.12 Favored 'General case' 0 C--O 1.279 2.655 1 N-CA-C 124.159 4.874 . . . . 46.280000000000001 124.159 170.879 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.42 -42.78 83.03 Favored 'General case' 1 CA--C 1.396 -4.958 0 CA-C-O 116.348 -1.787 . . . . 39.920000000000002 115.718 167.234 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -43.35 90.02 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 117.877 2.547 . . . . 44.5 117.877 172.644 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -45.1 -43.61 9.79 Favored 'General case' 0 C--O 1.187 -2.192 0 N-CA-C 117.74 2.496 . . . . 31.93 117.74 161.433 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -77.19 -49.2 15.68 Favored 'General case' 0 CA--C 1.437 -3.392 0 N-CA-C 100.65 -3.833 . . . . 54.780000000000001 100.65 -171.303 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.403 ' O ' ' HG3' ' B' ' 22' ' ' GLU . 73.5 t60 -47.01 -41.57 16.67 Favored 'General case' 0 C--O 1.17 -3.113 0 N-CA-C 119.143 3.016 . . . . 44.990000000000002 119.143 170.704 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.423 HD13 HG21 ' B' ' 19' ' ' ILE . 51.6 mt -78.14 -35.82 20.54 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.342 0 O-C-N 119.167 -2.208 . . . . 32.719999999999999 113.767 179.857 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -54.2 -36.0 62.97 Favored 'General case' 0 C--O 1.257 1.462 0 O-C-N 120.101 -1.624 . . . . 42.310000000000002 111.549 168.764 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -75.99 -48.04 22.58 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 113.345 -1.752 . . . . 32.5 106.283 -178.226 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' B' ' 18' ' ' HIS . 44.6 mt-10 -65.29 -38.97 91.89 Favored 'General case' 0 C--O 1.172 -3.018 0 C-N-CA 114.289 -2.964 . . . . 44.409999999999997 105.233 -175.801 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.39 -24.17 60.27 Favored 'General case' 0 N--CA 1.497 1.924 0 CA-C-O 125.143 2.402 . . . . 39.75 117.051 -176.642 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.8 -45.75 67.24 Favored 'General case' 0 C--O 1.178 -2.665 0 O-C-N 119.655 -1.903 . . . . 36.719999999999999 108.913 178.224 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ARG . . . . . 0.578 HH11 ' HD2' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -46.32 -50.11 16.72 Favored 'General case' 0 N--CA 1.436 -1.151 0 N-CA-C 115.765 1.765 . . . . 78.150000000000006 115.765 169.906 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 80.3 mt -68.83 -40.63 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.171 0 C-N-CA 125.386 1.474 . . . . 48.479999999999997 112.554 175.22 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -59.77 -28.22 67.21 Favored 'General case' 0 C--N 1.288 -2.093 0 C-N-CA 115.429 -2.508 . . . . 70.840000000000003 111.866 177.382 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.578 ' HD2' HH11 ' B' ' 25' ' ' ARG . 4.8 ttmt -86.46 -42.13 13.84 Favored 'General case' 0 N--CA 1.404 -2.738 0 CA-C-N 112.668 -2.06 . . . . 63.880000000000003 110.317 -171.982 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' LEU . . . . . 1.579 ' CD1' ' CG ' ' B' ' 29' ' ' LEU . 6.4 mt -36.77 -78.74 0.02 OUTLIER 'General case' 0 C--O 1.186 -2.286 0 C-N-CA 125.753 1.621 . . . . 67.530000000000001 111.737 158.352 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.57 -29.13 24.01 Favored 'General case' 0 N--CA 1.419 -2.003 0 C-N-CA 124.448 1.099 . . . . 69.209999999999994 110.721 -177.25 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -70.83 18.63 0.79 Allowed Glycine 0 CA--C 1.527 0.784 0 C-N-CA 123.791 0.71 . . . . 78.390000000000001 114.716 -179.812 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.632 ' HG3' ' O ' ' B' ' 29' ' ' LEU . 0.0 OUTLIER -145.19 -33.95 0.35 Allowed 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.827 -0.807 . . . . 88.129999999999995 112.676 173.174 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' ARG . . . . . 0.649 ' HD3' ' O ' ' B' ' 29' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.255 1.369 1 CA-C-O 104.897 -7.239 . . . . 91.290000000000006 103.169 168.942 . . . . . . . . 3 3 . 1 stop_ save_