data_1enm_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 1enm _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' ' ' PCA . . . . . . . . . . . . 0.554 . . . . . . . 1 N--CA 1.318 -7.029 0 CA-C-O 114.256 -2.783 . . . . 31.2 106.289 . . . . . . . . . 2 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 34.3 mmm-85 -76.53 152.3 36.07 Favored 'General case' 0 N--CA 1.5 2.037 1 O-C-N 131.214 5.321 . . . . 39.1 111.481 -177.748 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.9 p -163.8 169.9 17.64 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 116.389 -0.369 . . . . 24.45 110.811 -177.806 55.995 86.622 97.654 102.583 2.045 102.509 70.55 -173.811 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.64 -160.64 40.64 Favored Glycine 0 C--N 1.321 -0.304 0 N-CA-C 114.826 0.69 . . . . 26.65 114.826 168.322 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.1 p -61.79 -35.54 78.47 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 115.161 1.541 . . . . 38.64 115.161 -172.491 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -86.0 -25.03 26.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 121.556 -0.715 . . . . 48.25 112.477 -179.9 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.11 -1.08 57.08 Favored Glycine 0 N--CA 1.422 -2.27 0 N-CA-C 118.212 2.045 . . . . 43.5 118.212 -172.504 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 109.23 4.6 30.84 Favored Glycine 0 C--O 1.248 1.002 0 CA-C-N 119.96 1.88 . . . . 44.09 114.368 177.849 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.99 -2.57 81.94 Favored Glycine 0 N--CA 1.425 -2.035 0 N-CA-C 118.429 2.132 . . . . 40.96 118.429 175.278 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.429 0.4 OUTLIER . . . . . 0 C--N 1.322 -0.602 0 CA-C-N 120.587 2.194 . . . . 40.79 111.732 179.354 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 CA-C-O 122.196 0.887 . . . . 39.21 111.732 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.1 m -98.42 147.65 24.5 Favored 'General case' 0 C--O 1.245 0.837 0 N-CA-C 105.843 -1.91 . . . . 40.19 105.843 171.875 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 98.2 m -73.3 145.59 85.68 Favored Pre-proline 0 C--N 1.304 -1.372 0 CA-C-N 119.547 1.067 . . . . 27.84 113.683 -173.796 -69.291 -74.571 -88.06 102.273 2.048 102.236 -72.663 -63.362 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -55.8 137.86 79.85 Favored 'Trans proline' 0 N--CA 1.45 -1.046 0 C-N-CA 121.963 1.775 . . . . 25.28 110.374 168.482 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.391 0 CA-C-N 114.718 -1.128 . . . . 24.26 110.57 179.724 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.565 0 N-CA-C 109.94 -0.393 . . . . 34.55 109.94 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.8 mm? 53.6 39.25 29.87 Favored 'General case' 0 C--N 1.315 -0.925 0 O-C-N 123.19 0.306 . . . . 34.12 111.691 178.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.543 0.689 0 C-N-CA 120.2 -0.6 . . . . 36.42 110.395 175.675 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.661 0 CA-C-O 121.775 0.798 . . . . 38.84 110.143 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.4 m -77.15 147.32 36.59 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 118.181 -1.408 . . . . 22.54 111.164 -176.916 -41.134 137.077 95.265 104.715 2.006 103.684 -64.828 -63.678 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.5 t -105.21 124.92 50.36 Favored 'General case' 0 C--O 1.263 1.79 0 N-CA-C 109.102 -0.703 . . . . 18.63 109.102 173.477 -173.811 70.55 97.654 102.509 2.045 102.583 86.622 55.995 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.8 p -78.34 171.33 15.23 Favored 'General case' 0 CA--C 1.491 -1.3 0 CA-C-O 122.09 0.948 . . . . 17.25 110.887 -177.446 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 21.5 pt -68.76 -15.92 20.3 Favored 'Isoleucine or valine' 0 C--N 1.379 1.864 0 C-N-CA 117.998 -1.481 . . . . 21.24 112.478 175.33 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 20.7 m-90 -84.75 -0.37 53.45 Favored 'General case' 0 C--O 1.249 1.073 0 N-CA-C 113.812 1.041 . . . . 26.47 113.812 174.323 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.83 32.14 27.61 Favored Glycine 0 C--N 1.342 0.888 0 O-C-N 120.28 -1.513 . . . . 21.28 114.064 176.212 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -124.67 153.66 41.96 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.454 1.121 . . . . 28.85 112.252 171.784 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 74.6 m -93.57 146.44 23.8 Favored 'General case' 0 C--O 1.261 1.697 0 O-C-N 120.99 -1.069 . . . . 20.22 112.609 179.655 -63.362 -72.663 -88.06 102.236 2.048 102.273 -74.571 -69.291 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -171.98 -174.96 39.83 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.308 -1.117 . . . . 22.86 110.308 176.716 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 54.8 p30 -133.16 11.54 4.21 Favored 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 113.864 1.061 . . . . 37.77 113.864 -172.426 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.2 p -117.38 -176.11 2.94 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 121.769 -0.582 . . . . 30.54 110.001 179.931 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -45.68 -52.35 24.6 Favored Pre-proline 0 C--O 1.256 1.443 0 N-CA-C 118.717 2.858 . . . . 41.1 118.717 -176.131 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -61.76 -19.44 65.38 Favored 'Trans proline' 0 N--CA 1.442 -1.51 0 C-N-CA 123.411 2.741 . . . . 28.49 113.973 -177.186 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -98.3 -39.48 8.8 Favored 'General case' 0 C--N 1.358 0.954 0 C-N-CA 119.576 -0.849 . . . . 23.66 111.631 179.137 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 77.1 m -101.23 -22.26 14.69 Favored 'General case' 0 N--CA 1.438 -1.033 0 N-CA-C 115.575 1.694 . . . . 24.06 115.575 -169.156 -63.678 -64.828 95.265 103.684 2.006 104.715 137.077 -41.134 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -96.4 -122.81 4.23 Favored Glycine 0 C--N 1.341 0.822 0 C-N-CA 119.174 -1.489 . . . . 24.49 112.303 -174.24 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.4 ttp85 -57.31 -38.12 73.53 Favored 'General case' 0 C--O 1.252 1.223 0 N-CA-C 113.338 0.866 . . . . 62.61 113.338 -175.201 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.3 p -101.01 28.69 5.1 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 123.475 1.607 . . . . 26.12 112.385 -177.245 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 53.8 t -87.18 141.09 28.91 Favored 'General case' 0 C--O 1.26 1.648 0 O-C-N 121.23 -0.919 . . . . 26.08 112.435 177.555 -179.303 -105.972 -86.511 103.062 2.07 100.541 -63.736 -48.331 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -98.37 -51.45 3.97 Favored 'General case' 0 N--CA 1.427 -1.624 0 C-N-CA 123.777 0.831 . . . . 36.97 112.834 174.935 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -141.93 162.13 36.26 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 119.138 -1.025 . . . . 34.4 112.33 -178.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt 51.32 47.92 23.93 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-O 123.17 1.462 . . . . 29.88 111.163 -174.606 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 21.8 m -89.46 162.62 15.64 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 114.824 1.416 . . . . 26.74 114.824 -175.149 -48.331 -63.736 -86.511 100.541 2.07 103.062 -105.972 -179.303 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 30.3 m0 -58.58 -32.65 69.15 Favored 'General case' 0 N--CA 1.439 -0.981 0 CA-C-O 118.84 -0.6 . . . . 30.8 111.85 178.33 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 51.9 p -76.01 -3.7 37.15 Favored 'General case' 0 C--O 1.251 1.158 0 O-C-N 124.363 1.039 . . . . 31.05 111.715 -178.177 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -94.75 3.3 67.72 Favored Glycine 0 N--CA 1.427 -1.955 0 N-CA-C 117.626 1.81 . . . . 28.04 117.626 -176.37 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -59.57 139.53 57.09 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 120.133 1.966 . . . . 30.98 110.145 179.707 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 72.7 mtp85 -64.52 150.11 47.35 Favored 'General case' 0 C--N 1.317 -0.847 0 O-C-N 124.21 0.944 . . . . 35.13 111.042 178.343 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.6 p -65.22 -18.71 65.53 Favored 'General case' 0 C--O 1.249 1.05 0 C-N-CA 117.868 -1.533 . . . . 35.32 111.695 178.221 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 41.5 p30 -96.41 4.53 52.12 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-O 122.535 1.159 . . . . 33.25 111.522 179.561 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 64.5 m-70 64.71 11.32 6.71 Favored 'General case' 0 N--CA 1.437 -1.098 0 CA-C-O 117.34 -1.314 . . . . 37.52 114.399 177.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -81.09 151.6 28.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 119.556 1.071 . . . . 36.37 112.682 -179.624 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 27.5 p -145.31 -174.23 4.32 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 119.201 -0.999 . . . . 26.19 110.387 178.804 60.11 107.613 98.237 102.925 2.061 101.822 63.375 -178.338 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.29 175.02 43.56 Favored Glycine 0 N--CA 1.472 1.044 0 C-N-CA 119.796 -1.192 . . . . 29.81 111.336 179.417 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.61 -28.24 69.79 Favored 'General case' 0 C--O 1.254 1.334 0 N-CA-C 115.691 1.737 . . . . 38.81 115.691 -172.773 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.38 -24.56 67.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 120.525 -1.359 . . . . 40.54 112.158 -179.842 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.0 m -116.81 22.98 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 CA-C-N 118.104 0.411 . . . . 36.1 111.701 178.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 77.87 31.49 48.64 Favored Glycine 0 N--CA 1.431 -1.653 0 N-CA-C 116.331 1.292 . . . . 34.29 116.331 173.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ASN . . . . . 0.448 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 84.9 m-20 50.07 52.02 11.76 Favored Pre-proline 0 C--O 1.248 0.993 0 CA-C-N 119.24 1.52 . . . . 38.86 114.047 174.341 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' PRO . . . . . 0.448 ' CD ' ' N ' ' A' ' 55' ' ' ASN . 93.1 Cg_endo -69.65 161.53 45.55 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 122.585 2.19 . . . . 25.27 110.947 174.075 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -72.22 168.66 23.54 Favored 'Trans proline' 0 N--CA 1.427 -2.423 0 C-N-CA 124.187 3.258 . . . . 24.58 112.949 176.89 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 76.8 m -114.52 164.06 14.51 Favored 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 106.758 -1.571 . . . . 25.71 106.758 166.214 -61.01 -65.975 -79.224 102.724 2.053 105.634 -68.494 -69.157 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -76.55 -173.16 36.51 Favored Glycine 0 C--N 1.306 -1.086 0 O-C-N 126.067 2.105 . . . . 28.05 112.764 -178.252 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -62.38 125.49 24.09 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 113.64 0.978 . . . . 42.36 113.64 -175.134 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 60.95 25.86 15.84 Favored 'General case' 0 N--CA 1.439 -0.999 0 C-N-CA 124.223 1.009 . . . . 43.72 112.192 -177.583 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 65.2 mtp85 -117.12 143.13 46.15 Favored 'General case' 0 C--O 1.248 0.984 0 O-C-N 124.09 0.869 . . . . 31.89 109.16 175.064 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 10.0 m -124.25 161.16 26.37 Favored 'General case' 0 CA--C 1.548 0.903 0 O-C-N 121.59 -0.694 . . . . 31.31 109.881 -179.915 -44.864 107.726 93.714 104.877 1.981 106.233 -68.309 -70.389 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 51.7 t -93.44 108.28 19.98 Favored 'General case' 0 C--O 1.251 1.165 0 O-C-N 125.849 1.968 . . . . 26.15 110.475 179.383 -178.338 63.375 98.237 101.822 2.061 102.925 107.613 60.11 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.4 p -67.38 165.99 15.39 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 122.434 1.112 . . . . 26.76 112.128 -179.827 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.9 m -67.07 -18.01 23.56 Favored 'Isoleucine or valine' 0 C--N 1.349 0.548 0 CA-C-N 115.511 -0.768 . . . . 30.27 111.427 176.474 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -78.04 -19.88 53.48 Favored 'General case' 0 CA--C 1.499 -0.995 0 N-CA-C 113.085 0.772 . . . . 28.81 113.085 177.736 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.95 23.11 7.24 Favored Glycine 0 C--N 1.346 1.094 0 O-C-N 120.27 -1.519 . . . . 23.27 114.921 178.092 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 17.7 m-90 -129.61 150.01 51.12 Favored 'General case' 0 C--O 1.211 -0.927 0 CA-C-N 119.386 1.593 . . . . 38.78 112.007 173.717 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 97.2 m -82.26 141.44 32.95 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 113.85 -1.523 . . . . 28.69 108.96 172.295 -69.157 -68.494 -79.224 105.634 2.053 102.724 -65.975 -61.01 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -169.8 175.21 43.99 Favored Glycine 0 CA--C 1.532 1.147 0 N-CA-C 110.307 -1.117 . . . . 31.15 110.307 173.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -106.74 155.91 16.29 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 109.336 -1.505 . . . . 39.04 109.336 179.011 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 95.91 174.27 36.36 Favored Glycine 0 N--CA 1.44 -1.057 0 CA-C-O 123.963 1.868 . . . . 41.62 115.022 176.231 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ASN . . . . . 0.573 ' N ' ' O ' ' A' ' 118' ' ' HOH . 4.6 m-20 -55.27 -37.4 67.24 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 113.703 -1.248 . . . . 59.26 112.326 -176.489 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ASP . . . . . 0.439 ' OD1' ' NZ ' ' A' ' 81' ' ' ASN . 69.5 m-20 -53.91 -33.6 57.08 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.102 0.408 . . . . 51.74 112.102 179.893 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -109.81 -27.79 9.12 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 112.762 0.653 . . . . 32.28 112.762 -176.542 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 88.5 m -105.96 -6.47 18.79 Favored 'General case' 0 C--O 1.255 1.362 0 N-CA-C 116.931 2.197 . . . . 39.27 116.931 -167.121 -70.389 -68.309 93.714 106.233 1.981 104.877 107.726 -44.864 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' SER . . . . . 0.465 ' O ' ' C ' ' A' ' 79' ' ' GLY . 16.6 m -97.18 165.81 11.87 Favored 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 116.667 2.099 . . . . 51.98 116.667 -174.675 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' A' ' 78' ' ' SER . . . -47.2 131.58 13.98 Favored Glycine 1 N--CA 1.378 -5.221 0 O-C-N 118.248 -2.782 . . . . 47.19 119.376 -174.34 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 C--N 1.183 -7.97 3 O-C-N 92.285 -18.185 . . . . 45.32 112.242 139.961 . . . . . . . . 2 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.235 0.297 0 N-CA-C 111.843 0.312 . . . . 50.08 111.843 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ASN . . . . . 0.439 ' NZ ' ' OD1' ' A' ' 75' ' ' ASP . 72.2 m-20 . . . . . 0 C--N 1.257 -3.44 0 C-N-CA 127.835 2.454 . . . . 44.51 111.184 -168.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 41.3 mttt . . . . . 0 C--O 1.245 0.847 0 N-CA-C 113.534 0.939 . . . . 45.71 113.534 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 42.5 t -108.66 135.82 49.27 Favored 'General case' 0 CA--C 1.498 -1.056 0 O-C-N 118.92 -2.363 . . . . 35.78 113.334 -168.953 -175.763 -103.889 -95.62 103.272 2.07 100.005 -62.539 -49.279 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 23.3 pt20 -99.23 -34.38 10.37 Favored 'General case' 0 C--O 1.245 0.853 0 O-C-N 121.1 -1.0 . . . . 39.76 113.257 177.551 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -160.27 160.84 33.06 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 119.003 -1.079 . . . . 25.68 110.621 -179.521 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 45.4 mtp85 53.39 43.91 30.73 Favored 'General case' 0 N--CA 1.433 -1.287 0 CA-C-O 123.412 1.577 . . . . 28.79 112.255 -172.242 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 27.1 m . . . . . 0 C--O 1.249 1.036 0 N-CA-C 113.748 1.018 . . . . 39.1 113.748 -177.247 -49.279 -62.539 -95.62 100.005 2.07 103.272 -103.889 -175.763 0 0 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . 0.573 ' O ' ' N ' ' A' ' 74' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . 0.554 . . . . . . . 1 N--CA 1.318 -7.029 0 CA-C-O 114.256 -2.783 . . . . 31.2 106.289 . . . . . . . . . 2 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ARG . . . . . 0.404 ' HD3' ' CH2' ' A' ' 23' ' ' TRP . 34.3 mmm-85 -76.53 152.3 36.07 Favored 'General case' 0 N--CA 1.5 2.037 1 O-C-N 131.214 5.321 . . . . 39.1 111.481 -177.748 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.9 p -163.8 169.9 17.64 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 116.389 -0.369 . . . . 24.45 110.811 -177.806 55.995 86.622 97.654 102.583 2.045 102.509 70.55 -173.811 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.64 -160.64 40.64 Favored Glycine 0 C--N 1.321 -0.304 0 N-CA-C 114.826 0.69 . . . . 26.65 114.826 168.322 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.1 p -61.79 -35.54 78.47 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 115.161 1.541 . . . . 38.64 115.161 -172.491 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -86.0 -25.03 26.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 121.556 -0.715 . . . . 48.25 112.477 -179.9 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.11 -1.08 57.08 Favored Glycine 0 N--CA 1.422 -2.27 0 N-CA-C 118.212 2.045 . . . . 43.5 118.212 -172.504 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 109.23 4.6 30.84 Favored Glycine 0 C--O 1.248 1.002 0 CA-C-N 119.96 1.88 . . . . 44.09 114.368 177.849 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.99 -2.57 81.94 Favored Glycine 0 N--CA 1.425 -2.035 0 N-CA-C 118.429 2.132 . . . . 40.96 118.429 175.278 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.429 0.4 OUTLIER . . . . . 0 C--N 1.322 -0.602 0 CA-C-N 120.587 2.194 . . . . 40.79 111.732 179.354 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 CA-C-O 122.196 0.887 . . . . 39.21 111.732 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.1 m -98.42 147.65 24.5 Favored 'General case' 0 C--O 1.245 0.837 0 N-CA-C 105.843 -1.91 . . . . 40.19 105.843 171.875 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 98.2 m -73.3 145.59 85.68 Favored Pre-proline 0 C--N 1.304 -1.372 0 CA-C-N 119.547 1.067 . . . . 27.84 113.683 -173.796 -69.291 -74.571 -88.06 102.273 2.048 102.236 -72.663 -63.362 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -55.8 137.86 79.85 Favored 'Trans proline' 0 N--CA 1.45 -1.046 0 C-N-CA 121.963 1.775 . . . . 25.28 110.374 168.482 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.391 0 CA-C-N 114.718 -1.128 . . . . 24.26 110.57 179.724 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.565 0 N-CA-C 109.94 -0.393 . . . . 34.55 109.94 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LEU . . . . . 0.43 HD22 ' N ' ' A' ' 15' ' ' LEU . 2.8 mm? 53.6 39.25 29.87 Favored 'General case' 0 C--N 1.315 -0.925 0 O-C-N 123.19 0.306 . . . . 34.12 111.691 178.789 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ARG . . . . . 0.702 ' CE3' ' HA ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER . . . . . 0 CA--C 1.543 0.689 0 C-N-CA 120.2 -0.6 . . . . 36.42 110.395 175.675 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.661 0 CA-C-O 121.775 0.798 . . . . 38.84 110.143 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.4 m -77.15 147.32 36.59 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 118.181 -1.408 . . . . 22.54 111.164 -176.916 -41.134 137.077 95.265 104.715 2.006 103.684 -64.828 -63.678 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.5 t -105.21 124.92 50.36 Favored 'General case' 0 C--O 1.263 1.79 0 N-CA-C 109.102 -0.703 . . . . 18.63 109.102 173.477 -173.811 70.55 97.654 102.509 2.045 102.583 86.622 55.995 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.8 p -78.34 171.33 15.23 Favored 'General case' 0 CA--C 1.491 -1.3 0 CA-C-O 122.09 0.948 . . . . 17.25 110.887 -177.446 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 21.5 pt -68.76 -15.92 20.3 Favored 'Isoleucine or valine' 0 C--N 1.379 1.864 0 C-N-CA 117.998 -1.481 . . . . 21.24 112.478 175.33 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 20.7 m-90 -84.75 -0.37 53.45 Favored 'General case' 0 C--O 1.249 1.073 0 N-CA-C 113.812 1.041 . . . . 26.47 113.812 174.323 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.83 32.14 27.61 Favored Glycine 0 C--N 1.342 0.888 0 O-C-N 120.28 -1.513 . . . . 21.28 114.064 176.212 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' TRP . . . . . 0.404 ' CH2' ' HD3' ' A' ' 2' ' ' ARG . 92.0 m95 -124.67 153.66 41.96 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.454 1.121 . . . . 28.85 112.252 171.784 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 74.6 m -93.57 146.44 23.8 Favored 'General case' 0 C--O 1.261 1.697 0 O-C-N 120.99 -1.069 . . . . 20.22 112.609 179.655 -63.362 -72.663 -88.06 102.236 2.048 102.273 -74.571 -69.291 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -171.98 -174.96 39.83 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.308 -1.117 . . . . 22.86 110.308 176.716 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 54.8 p30 -133.16 11.54 4.21 Favored 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 113.864 1.061 . . . . 37.77 113.864 -172.426 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.2 p -117.38 -176.11 2.94 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 121.769 -0.582 . . . . 30.54 110.001 179.931 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -45.68 -52.35 24.6 Favored Pre-proline 0 C--O 1.256 1.443 0 N-CA-C 118.717 2.858 . . . . 41.1 118.717 -176.131 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -61.76 -19.44 65.38 Favored 'Trans proline' 0 N--CA 1.442 -1.51 0 C-N-CA 123.411 2.741 . . . . 28.49 113.973 -177.186 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -98.3 -39.48 8.8 Favored 'General case' 0 C--N 1.358 0.954 0 C-N-CA 119.576 -0.849 . . . . 23.66 111.631 179.137 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 77.1 m -101.23 -22.26 14.69 Favored 'General case' 0 N--CA 1.438 -1.033 0 N-CA-C 115.575 1.694 . . . . 24.06 115.575 -169.156 -63.678 -64.828 95.265 103.684 2.006 104.715 137.077 -41.134 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -96.4 -122.81 4.23 Favored Glycine 0 C--N 1.341 0.822 0 C-N-CA 119.174 -1.489 . . . . 24.49 112.303 -174.24 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.4 ttp85 -57.31 -38.12 73.53 Favored 'General case' 0 C--O 1.252 1.223 0 N-CA-C 113.338 0.866 . . . . 62.61 113.338 -175.201 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.3 p -101.01 28.69 5.1 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 123.475 1.607 . . . . 26.12 112.385 -177.245 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 53.8 t -87.18 141.09 28.91 Favored 'General case' 0 C--O 1.26 1.648 0 O-C-N 121.23 -0.919 . . . . 26.08 112.435 177.555 -179.303 -105.972 -86.511 103.062 2.07 100.541 -63.736 -48.331 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -98.37 -51.45 3.97 Favored 'General case' 0 N--CA 1.427 -1.624 0 C-N-CA 123.777 0.831 . . . . 36.97 112.834 174.935 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -141.93 162.13 36.26 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 119.138 -1.025 . . . . 34.4 112.33 -178.719 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt 51.32 47.92 23.93 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-O 123.17 1.462 . . . . 29.88 111.163 -174.606 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 21.8 m -89.46 162.62 15.64 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 114.824 1.416 . . . . 26.74 114.824 -175.149 -48.331 -63.736 -86.511 100.541 2.07 103.062 -105.972 -179.303 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 30.3 m0 -58.58 -32.65 69.15 Favored 'General case' 0 N--CA 1.439 -0.981 0 CA-C-O 118.84 -0.6 . . . . 30.8 111.85 178.33 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 51.9 p -76.01 -3.7 37.15 Favored 'General case' 0 C--O 1.251 1.158 0 O-C-N 124.363 1.039 . . . . 31.05 111.715 -178.177 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -94.75 3.3 67.72 Favored Glycine 0 N--CA 1.427 -1.955 0 N-CA-C 117.626 1.81 . . . . 28.04 117.626 -176.37 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -59.57 139.53 57.09 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 120.133 1.966 . . . . 30.98 110.145 179.707 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 72.7 mtp85 -64.52 150.11 47.35 Favored 'General case' 0 C--N 1.317 -0.847 0 O-C-N 124.21 0.944 . . . . 35.13 111.042 178.343 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.6 p -65.22 -18.71 65.53 Favored 'General case' 0 C--O 1.249 1.05 0 C-N-CA 117.868 -1.533 . . . . 35.32 111.695 178.221 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 41.5 p30 -96.41 4.53 52.12 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-O 122.535 1.159 . . . . 33.25 111.522 179.561 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 64.5 m-70 64.71 11.32 6.71 Favored 'General case' 0 N--CA 1.437 -1.098 0 CA-C-O 117.34 -1.314 . . . . 37.52 114.399 177.909 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -81.09 151.6 28.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 119.556 1.071 . . . . 38.45 112.682 -179.624 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 27.5 p -145.31 -174.23 4.32 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 119.201 -0.999 . . . . 26.19 110.387 178.804 60.11 107.613 98.237 102.925 2.061 101.822 63.375 -178.338 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.29 175.02 43.56 Favored Glycine 0 N--CA 1.472 1.044 0 C-N-CA 119.796 -1.192 . . . . 29.81 111.336 179.417 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.61 -28.24 69.79 Favored 'General case' 0 C--O 1.254 1.334 0 N-CA-C 115.691 1.737 . . . . 38.81 115.691 -172.773 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.38 -24.56 67.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 120.525 -1.359 . . . . 40.54 112.158 -179.842 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.0 m -116.81 22.98 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 CA-C-N 118.104 0.411 . . . . 36.1 111.701 178.789 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 77.87 31.49 48.64 Favored Glycine 0 N--CA 1.431 -1.653 0 N-CA-C 116.331 1.292 . . . . 34.29 116.331 173.94 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ASN . . . . . 0.448 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 84.9 m-20 50.07 52.02 11.76 Favored Pre-proline 0 C--O 1.248 0.993 0 CA-C-N 119.24 1.52 . . . . 38.86 114.047 174.341 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' PRO . . . . . 0.448 ' CD ' ' N ' ' A' ' 55' ' ' ASN . 93.1 Cg_endo -69.65 161.53 45.55 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 122.585 2.19 . . . . 25.27 110.947 174.075 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -72.22 168.66 23.54 Favored 'Trans proline' 0 N--CA 1.427 -2.423 0 C-N-CA 124.187 3.258 . . . . 24.58 112.949 176.89 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 76.8 m -114.52 164.06 14.51 Favored 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 106.758 -1.571 . . . . 25.71 106.758 166.214 -61.01 -65.975 -79.224 102.724 2.053 105.634 -68.494 -69.157 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -76.55 -173.16 36.51 Favored Glycine 0 C--N 1.306 -1.086 0 O-C-N 126.067 2.105 . . . . 28.05 112.764 -178.252 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -62.38 125.49 24.09 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 113.64 0.978 . . . . 42.36 113.64 -175.134 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 60.95 25.86 15.84 Favored 'General case' 0 N--CA 1.439 -0.999 0 C-N-CA 124.223 1.009 . . . . 43.72 112.192 -177.583 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 65.2 mtp85 -117.12 143.13 46.15 Favored 'General case' 0 C--O 1.248 0.984 0 O-C-N 124.09 0.869 . . . . 31.89 109.16 175.064 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 10.0 m -124.25 161.16 26.37 Favored 'General case' 0 CA--C 1.548 0.903 0 O-C-N 121.59 -0.694 . . . . 31.31 109.881 -179.915 -44.864 107.726 93.714 104.877 1.981 106.233 -68.309 -70.389 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 51.7 t -93.44 108.28 19.98 Favored 'General case' 0 C--O 1.251 1.165 0 O-C-N 125.849 1.968 . . . . 26.15 110.475 179.383 -178.338 63.375 98.237 101.822 2.061 102.925 107.613 60.11 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.4 p -67.38 165.99 15.39 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 122.434 1.112 . . . . 26.76 112.128 -179.827 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.9 m -67.07 -18.01 23.56 Favored 'Isoleucine or valine' 0 C--N 1.349 0.548 0 CA-C-N 115.511 -0.768 . . . . 30.27 111.427 176.474 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -78.04 -19.88 53.48 Favored 'General case' 0 CA--C 1.499 -0.995 0 N-CA-C 113.085 0.772 . . . . 28.81 113.085 177.736 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.95 23.11 7.24 Favored Glycine 0 C--N 1.346 1.094 0 O-C-N 120.27 -1.519 . . . . 23.27 114.921 178.092 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 17.7 m-90 -129.61 150.01 51.12 Favored 'General case' 0 C--O 1.211 -0.927 0 CA-C-N 119.386 1.593 . . . . 38.78 112.007 173.717 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 97.2 m -82.26 141.44 32.95 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 113.85 -1.523 . . . . 28.69 108.96 172.295 -69.157 -68.494 -79.224 105.634 2.053 102.724 -65.975 -61.01 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -169.8 175.21 43.99 Favored Glycine 0 CA--C 1.532 1.147 0 N-CA-C 110.307 -1.117 . . . . 31.15 110.307 173.593 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -106.74 155.91 16.29 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 109.336 -1.505 . . . . 39.04 109.336 179.011 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 95.91 174.27 36.36 Favored Glycine 0 N--CA 1.44 -1.057 0 CA-C-O 123.963 1.868 . . . . 41.62 115.022 176.231 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -55.27 -37.4 67.24 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 113.703 -1.248 . . . . 59.26 112.326 -176.489 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ASP . . . . . 0.492 ' HA ' ' HD3' ' A' ' 81' ' ' ASN . 69.5 m-20 -53.91 -33.6 57.08 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.102 0.408 . . . . 51.74 112.102 179.893 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -109.81 -27.79 9.12 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 112.762 0.653 . . . . 32.28 112.762 -176.542 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 88.5 m -105.96 -6.47 18.79 Favored 'General case' 0 C--O 1.255 1.362 0 N-CA-C 116.931 2.197 . . . . 39.27 116.931 -167.121 -70.389 -68.309 93.714 106.233 1.981 104.877 107.726 -44.864 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' SER . . . . . 0.465 ' O ' ' C ' ' A' ' 79' ' ' GLY . 16.6 m -97.18 165.81 11.87 Favored 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 116.667 2.099 . . . . 51.98 116.667 -174.675 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 79' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' A' ' 78' ' ' SER . . . -47.2 131.58 13.98 Favored Glycine 1 N--CA 1.378 -5.221 0 O-C-N 118.248 -2.782 . . . . 47.26 119.376 -174.34 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 C--N 1.183 -7.97 3 O-C-N 92.285 -18.185 . . . . 45.32 112.242 139.961 . . . . . . . . 2 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.235 0.297 0 N-CA-C 111.843 0.312 . . . . 50.08 111.843 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ASN . . . . . 0.492 ' HD3' ' HA ' ' A' ' 75' ' ' ASP . 72.2 m-20 . . . . . 0 C--N 1.257 -3.44 0 C-N-CA 127.835 2.454 . . . . 44.51 111.184 -168.893 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 41.3 mttt . . . . . 0 C--O 1.245 0.847 0 N-CA-C 113.534 0.939 . . . . 45.71 113.534 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 42.5 t -108.66 135.82 49.27 Favored 'General case' 0 CA--C 1.498 -1.056 0 O-C-N 118.92 -2.363 . . . . 35.78 113.334 -168.953 -175.763 -103.889 -95.62 103.272 2.07 100.005 -62.539 -49.279 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 23.3 pt20 -99.23 -34.38 10.37 Favored 'General case' 0 C--O 1.245 0.853 0 O-C-N 121.1 -1.0 . . . . 39.76 113.257 177.551 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -160.27 160.84 33.06 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 119.003 -1.079 . . . . 25.68 110.621 -179.521 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 45.4 mtp85 53.39 43.91 30.73 Favored 'General case' 0 N--CA 1.433 -1.287 0 CA-C-O 123.412 1.577 . . . . 28.79 112.255 -172.242 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 27.1 m . . . . . 0 C--O 1.249 1.036 0 N-CA-C 113.748 1.018 . . . . 39.1 113.748 -177.247 -49.279 -62.539 -95.62 100.005 2.07 103.272 -103.889 -175.763 0 0 . 1 . 001 ecloud build full ' A' A ' 90' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 91' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 92' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . 0.554 . . . . . . . 1 N--CA 1.318 -7.029 0 CA-C-O 114.256 -2.783 . . . . 31.2 106.289 . . . . . . . . . 2 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.404 ' HD3' ' CH2' ' A' ' 23' ' ' TRP . 34.3 mmm-85 -76.53 152.3 36.07 Favored 'General case' 0 N--CA 1.5 2.037 1 O-C-N 131.214 5.321 . . . . 39.1 111.481 -177.748 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.9 p -163.8 169.9 17.64 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 116.389 -0.369 . . . . 24.45 110.811 -177.806 55.995 86.622 97.654 102.583 2.045 102.509 70.55 -173.811 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.64 -160.64 40.64 Favored Glycine 0 C--N 1.321 -0.304 0 N-CA-C 114.826 0.69 . . . . 26.65 114.826 168.322 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.1 p -61.79 -35.54 78.47 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 115.161 1.541 . . . . 38.64 115.161 -172.491 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -86.0 -25.03 26.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 121.556 -0.715 . . . . 48.25 112.477 -179.9 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.11 -1.08 57.08 Favored Glycine 0 N--CA 1.422 -2.27 0 N-CA-C 118.212 2.045 . . . . 43.5 118.212 -172.504 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 109.23 4.6 30.84 Favored Glycine 0 C--O 1.248 1.002 0 CA-C-N 119.96 1.88 . . . . 44.09 114.368 177.849 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.99 -2.57 81.94 Favored Glycine 0 N--CA 1.425 -2.035 0 N-CA-C 118.429 2.132 . . . . 40.96 118.429 175.278 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . 0.429 0.4 OUTLIER . . . . . 0 C--N 1.322 -0.602 0 CA-C-N 120.587 2.194 . . . . 40.79 111.732 179.354 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 CA-C-O 122.196 0.887 . . . . 39.21 111.732 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.1 m -98.42 147.65 24.5 Favored 'General case' 0 C--O 1.245 0.837 0 N-CA-C 105.843 -1.91 . . . . 40.19 105.843 171.875 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 98.2 m -73.3 145.59 85.68 Favored Pre-proline 0 C--N 1.304 -1.372 0 CA-C-N 119.547 1.067 . . . . 27.84 113.683 -173.796 -69.291 -74.571 -88.06 102.273 2.048 102.236 -72.663 -63.362 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -55.8 137.86 79.85 Favored 'Trans proline' 0 N--CA 1.45 -1.046 0 C-N-CA 121.963 1.775 . . . . 25.28 110.374 168.482 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.391 0 CA-C-N 114.718 -1.128 . . . . 24.26 110.57 179.724 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.565 0 N-CA-C 109.94 -0.393 . . . . 34.55 109.94 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.43 HD22 ' N ' ' A' ' 15' ' ' LEU . 2.8 mm? 53.6 39.25 29.87 Favored 'General case' 0 C--N 1.315 -0.925 0 O-C-N 123.19 0.306 . . . . 34.12 111.691 178.789 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.702 ' CE3' ' HA ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER . . . . . 0 CA--C 1.543 0.689 0 C-N-CA 120.2 -0.6 . . . . 36.42 110.395 175.675 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.661 0 CA-C-O 121.775 0.798 . . . . 38.84 110.143 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.4 m -77.15 147.32 36.59 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 118.181 -1.408 . . . . 22.54 111.164 -176.916 -41.134 137.077 95.265 104.715 2.006 103.684 -64.828 -63.678 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.5 t -105.21 124.92 50.36 Favored 'General case' 0 C--O 1.263 1.79 0 N-CA-C 109.102 -0.703 . . . . 18.63 109.102 173.477 -173.811 70.55 97.654 102.509 2.045 102.583 86.622 55.995 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.8 p -78.34 171.33 15.23 Favored 'General case' 0 CA--C 1.491 -1.3 0 CA-C-O 122.09 0.948 . . . . 17.25 110.887 -177.446 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 21.5 pt -68.76 -15.92 20.3 Favored 'Isoleucine or valine' 0 C--N 1.379 1.864 0 C-N-CA 117.998 -1.481 . . . . 21.24 112.478 175.33 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 20.7 m-90 -84.75 -0.37 53.45 Favored 'General case' 0 C--O 1.249 1.073 0 N-CA-C 113.812 1.041 . . . . 26.47 113.812 174.323 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.83 32.14 27.61 Favored Glycine 0 C--N 1.342 0.888 0 O-C-N 120.28 -1.513 . . . . 21.28 114.064 176.212 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.404 ' CH2' ' HD3' ' A' ' 2' ' ' ARG . 92.0 m95 -124.67 153.66 41.96 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.454 1.121 . . . . 28.85 112.252 171.784 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 74.6 m -93.57 146.44 23.8 Favored 'General case' 0 C--O 1.261 1.697 0 O-C-N 120.99 -1.069 . . . . 20.22 112.609 179.655 -63.362 -72.663 -88.06 102.236 2.048 102.273 -74.571 -69.291 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -171.98 -174.96 39.83 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.308 -1.117 . . . . 22.86 110.308 176.716 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 54.8 p30 -133.16 11.54 4.21 Favored 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 113.864 1.061 . . . . 37.77 113.864 -172.426 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.2 p -117.38 -176.11 2.94 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 121.769 -0.582 . . . . 30.54 110.001 179.931 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -45.68 -52.35 24.6 Favored Pre-proline 0 C--O 1.256 1.443 0 N-CA-C 118.717 2.858 . . . . 41.1 118.717 -176.131 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -61.76 -19.44 65.38 Favored 'Trans proline' 0 N--CA 1.442 -1.51 0 C-N-CA 123.411 2.741 . . . . 28.49 113.973 -177.186 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -98.3 -39.48 8.8 Favored 'General case' 0 C--N 1.358 0.954 0 C-N-CA 119.576 -0.849 . . . . 23.66 111.631 179.137 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 77.1 m -101.23 -22.26 14.69 Favored 'General case' 0 N--CA 1.438 -1.033 0 N-CA-C 115.575 1.694 . . . . 24.06 115.575 -169.156 -63.678 -64.828 95.265 103.684 2.006 104.715 137.077 -41.134 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -96.4 -122.81 4.23 Favored Glycine 0 C--N 1.341 0.822 0 C-N-CA 119.174 -1.489 . . . . 24.49 112.303 -174.24 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.4 ttp85 -57.31 -38.12 73.53 Favored 'General case' 0 C--O 1.252 1.223 0 N-CA-C 113.338 0.866 . . . . 62.61 113.338 -175.201 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.3 p -101.01 28.69 5.1 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 123.475 1.607 . . . . 26.12 112.385 -177.245 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 53.8 t -87.18 141.09 28.91 Favored 'General case' 0 C--O 1.26 1.648 0 O-C-N 121.23 -0.919 . . . . 26.08 112.435 177.555 -179.303 -105.972 -86.511 103.062 2.07 100.541 -63.736 -48.331 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -98.37 -51.45 3.97 Favored 'General case' 0 N--CA 1.427 -1.624 0 C-N-CA 123.777 0.831 . . . . 36.97 112.834 174.935 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -141.93 162.13 36.26 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 119.138 -1.025 . . . . 34.4 112.33 -178.719 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt 51.32 47.92 23.93 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-O 123.17 1.462 . . . . 29.88 111.163 -174.606 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 21.8 m -89.46 162.62 15.64 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 114.824 1.416 . . . . 26.74 114.824 -175.149 -48.331 -63.736 -86.511 100.541 2.07 103.062 -105.972 -179.303 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 30.3 m0 -58.58 -32.65 69.15 Favored 'General case' 0 N--CA 1.439 -0.981 0 CA-C-O 118.84 -0.6 . . . . 30.8 111.85 178.33 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 51.9 p -76.01 -3.7 37.15 Favored 'General case' 0 C--O 1.251 1.158 0 O-C-N 124.363 1.039 . . . . 31.05 111.715 -178.177 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -94.75 3.3 67.72 Favored Glycine 0 N--CA 1.427 -1.955 0 N-CA-C 117.626 1.81 . . . . 28.04 117.626 -176.37 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -59.57 139.53 57.09 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 120.133 1.966 . . . . 30.98 110.145 179.707 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 72.7 mtp85 -64.52 150.11 47.35 Favored 'General case' 0 C--N 1.317 -0.847 0 O-C-N 124.21 0.944 . . . . 35.13 111.042 178.343 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.6 p -65.22 -18.71 65.53 Favored 'General case' 0 C--O 1.249 1.05 0 C-N-CA 117.868 -1.533 . . . . 35.32 111.695 178.221 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 41.5 p30 -96.41 4.53 52.12 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-O 122.535 1.159 . . . . 33.25 111.522 179.561 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 64.5 m-70 64.71 11.32 6.71 Favored 'General case' 0 N--CA 1.437 -1.098 0 CA-C-O 117.34 -1.314 . . . . 37.52 114.399 177.909 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -81.09 151.6 28.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 119.556 1.071 . . . . 38.45 112.682 -179.624 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 27.5 p -145.31 -174.23 4.32 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 119.201 -0.999 . . . . 26.19 110.387 178.804 60.11 107.613 98.237 102.925 2.061 101.822 63.375 -178.338 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.29 175.02 43.56 Favored Glycine 0 N--CA 1.472 1.044 0 C-N-CA 119.796 -1.192 . . . . 29.81 111.336 179.417 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.61 -28.24 69.79 Favored 'General case' 0 C--O 1.254 1.334 0 N-CA-C 115.691 1.737 . . . . 38.81 115.691 -172.773 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.38 -24.56 67.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 120.525 -1.359 . . . . 40.54 112.158 -179.842 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.0 m -116.81 22.98 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 CA-C-N 118.104 0.411 . . . . 36.1 111.701 178.789 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 77.87 31.49 48.64 Favored Glycine 0 N--CA 1.431 -1.653 0 N-CA-C 116.331 1.292 . . . . 34.29 116.331 173.94 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.448 ' N ' ' CD ' ' A' ' 56' ' ' PRO . 84.9 m-20 50.07 52.02 11.76 Favored Pre-proline 0 C--O 1.248 0.993 0 CA-C-N 119.24 1.52 . . . . 38.86 114.047 174.341 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.448 ' CD ' ' N ' ' A' ' 55' ' ' ASN . 93.1 Cg_endo -69.65 161.53 45.55 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 122.585 2.19 . . . . 25.27 110.947 174.075 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -72.22 168.66 23.54 Favored 'Trans proline' 0 N--CA 1.427 -2.423 0 C-N-CA 124.187 3.258 . . . . 24.58 112.949 176.89 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 76.8 m -114.52 164.06 14.51 Favored 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 106.758 -1.571 . . . . 25.71 106.758 166.214 -61.01 -65.975 -79.224 102.724 2.053 105.634 -68.494 -69.157 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -76.55 -173.16 36.51 Favored Glycine 0 C--N 1.306 -1.086 0 O-C-N 126.067 2.105 . . . . 28.05 112.764 -178.252 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -62.38 125.49 24.09 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 113.64 0.978 . . . . 42.36 113.64 -175.134 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 60.95 25.86 15.84 Favored 'General case' 0 N--CA 1.439 -0.999 0 C-N-CA 124.223 1.009 . . . . 43.72 112.192 -177.583 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 65.2 mtp85 -117.12 143.13 46.15 Favored 'General case' 0 C--O 1.248 0.984 0 O-C-N 124.09 0.869 . . . . 31.89 109.16 175.064 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 10.0 m -124.25 161.16 26.37 Favored 'General case' 0 CA--C 1.548 0.903 0 O-C-N 121.59 -0.694 . . . . 31.31 109.881 -179.915 -44.864 107.726 93.714 104.877 1.981 106.233 -68.309 -70.389 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 51.7 t -93.44 108.28 19.98 Favored 'General case' 0 C--O 1.251 1.165 0 O-C-N 125.849 1.968 . . . . 26.15 110.475 179.383 -178.338 63.375 98.237 101.822 2.061 102.925 107.613 60.11 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.4 p -67.38 165.99 15.39 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 122.434 1.112 . . . . 26.76 112.128 -179.827 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.9 m -67.07 -18.01 23.56 Favored 'Isoleucine or valine' 0 C--N 1.349 0.548 0 CA-C-N 115.511 -0.768 . . . . 30.27 111.427 176.474 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -78.04 -19.88 53.48 Favored 'General case' 0 CA--C 1.499 -0.995 0 N-CA-C 113.085 0.772 . . . . 28.81 113.085 177.736 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.95 23.11 7.24 Favored Glycine 0 C--N 1.346 1.094 0 O-C-N 120.27 -1.519 . . . . 23.27 114.921 178.092 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 17.7 m-90 -129.61 150.01 51.12 Favored 'General case' 0 C--O 1.211 -0.927 0 CA-C-N 119.386 1.593 . . . . 38.78 112.007 173.717 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 97.2 m -82.26 141.44 32.95 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 113.85 -1.523 . . . . 28.69 108.96 172.295 -69.157 -68.494 -79.224 105.634 2.053 102.724 -65.975 -61.01 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -169.8 175.21 43.99 Favored Glycine 0 CA--C 1.532 1.147 0 N-CA-C 110.307 -1.117 . . . . 31.15 110.307 173.593 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -106.74 155.91 16.29 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 109.336 -1.505 . . . . 39.04 109.336 179.011 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 95.91 174.27 36.36 Favored Glycine 0 N--CA 1.44 -1.057 0 CA-C-O 123.963 1.868 . . . . 41.62 115.022 176.231 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -55.27 -37.4 67.24 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 113.703 -1.248 . . . . 59.26 112.326 -176.489 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.492 ' HA ' ' HD3' ' A' ' 81' ' ' ASN . 69.5 m-20 -53.91 -33.6 57.08 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.102 0.408 . . . . 51.74 112.102 179.893 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -109.81 -27.79 9.12 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 112.762 0.653 . . . . 32.28 112.762 -176.542 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 88.5 m -105.96 -6.47 18.79 Favored 'General case' 0 C--O 1.255 1.362 0 N-CA-C 116.931 2.197 . . . . 39.27 116.931 -167.121 -70.389 -68.309 93.714 106.233 1.981 104.877 107.726 -44.864 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' SER . . . . . 0.465 ' O ' ' C ' ' A' ' 79' ' ' GLY . 16.6 m -97.18 165.81 11.87 Favored 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 116.667 2.099 . . . . 51.98 116.667 -174.675 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' A' ' 78' ' ' SER . . . -47.2 131.58 13.98 Favored Glycine 1 N--CA 1.378 -5.221 0 O-C-N 118.248 -2.782 . . . . 47.26 119.376 -174.34 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 C--N 1.183 -7.97 3 O-C-N 92.285 -18.185 . . . . 45.32 112.242 139.961 . . . . . . . . 2 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.235 0.297 0 N-CA-C 111.843 0.312 . . . . 50.08 111.843 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.492 ' HD3' ' HA ' ' A' ' 75' ' ' ASP . 72.2 m-20 . . . . . 0 C--N 1.257 -3.44 0 C-N-CA 127.835 2.454 . . . . 44.51 111.184 -168.893 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 41.3 mttt . . . . . 0 C--O 1.245 0.847 0 N-CA-C 113.534 0.939 . . . . 45.71 113.534 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 42.5 t -108.66 135.82 49.27 Favored 'General case' 0 CA--C 1.498 -1.056 0 O-C-N 118.92 -2.363 . . . . 35.78 113.334 -168.953 -175.763 -103.889 -95.62 103.272 2.07 100.005 -62.539 -49.279 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 23.3 pt20 -99.23 -34.38 10.37 Favored 'General case' 0 C--O 1.245 0.853 0 O-C-N 121.1 -1.0 . . . . 39.76 113.257 177.551 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -160.27 160.84 33.06 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 119.003 -1.079 . . . . 25.68 110.621 -179.521 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 45.4 mtp85 53.39 43.91 30.73 Favored 'General case' 0 N--CA 1.433 -1.287 0 CA-C-O 123.412 1.577 . . . . 28.79 112.255 -172.242 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 27.1 m . . . . . 0 C--O 1.249 1.036 0 N-CA-C 113.748 1.018 . . . . 39.1 113.748 -177.247 -49.279 -62.539 -95.62 100.005 2.07 103.272 -103.889 -175.763 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_