data_1p5a_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 1p5a _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 core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 17.8 t . . . . . 0 CA--C 1.466 -2.287 0 CA-C-O 118.218 -0.896 . . . . 0.0 111.961 . . . . . . . . . 0 0 . 1 . 001 ecloud orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.38 82.21 0.01 OUTLIER Glycine 0 C--O 1.259 1.718 0 N-CA-C 122.78 3.872 . . . . 0.0 122.78 -162.737 . . . . . . . . 1 1 . 1 . 001 ecloud orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.3 mm -71.85 -56.77 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 C-N-CA 130.796 3.638 . . . . 0.0 113.211 173.052 . . . . . . . . 1 1 . 1 . 001 ecloud orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -62.86 -29.15 73.21 Favored Glycine 1 N--CA 1.532 5.045 0 C-N-CA 125.389 1.471 . . . . 0.0 115.011 167.676 . . . . . . . . 2 2 . 1 . 001 ecloud orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.89 -44.23 27.74 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 120.754 3.613 . . . . 0.0 120.754 174.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 24.1 tp -66.86 -60.61 2.51 Favored 'General case' 0 C--O 1.197 -1.705 0 CA-C-N 122.641 2.473 . . . . 0.0 117.357 174.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -72.34 -64.74 0.89 Allowed 'General case' 0 N--CA 1.506 2.332 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 -178.202 . . . . . . . . 1 1 . 1 . 001 ecloud orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.9 mt -70.99 -47.08 60.85 Favored 'General case' 0 C--O 1.262 1.74 0 CA-C-O 116.175 -1.869 . . . . 0.0 109.62 -174.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -74.29 -70.22 1.28 Allowed Glycine 0 CA--C 1.56 2.877 0 CA-C-O 117.98 -1.456 . . . . 0.0 112.849 -176.871 . . . . . . . . 1 1 . 1 . 001 ecloud orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -68.62 -45.97 70.51 Favored 'General case' 0 CA--C 1.495 -1.165 0 N-CA-C 117.957 2.577 . . . . 0.0 117.957 -172.531 . . . . . . . . 1 1 . 1 . 001 ecloud orig core ' A' A ' 12' ' ' LEU . . . . . 0.6 HD23 ' HB3' ' A' ' 17' ' ' SER . 23.8 mt -84.29 -53.7 5.3 Favored 'General case' 0 C--N 1.313 -1.001 0 O-C-N 120.131 -1.605 . . . . 0.0 109.351 176.404 . . . . . . . . 2 2 . 1 . 001 ecloud orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -54.46 -79.16 0.09 OUTLIER Glycine 0 N--CA 1.472 1.066 1 C-N-CA 133.045 5.117 . . . . 0.0 112.794 179.428 . . . . . . . . 2 2 . 1 . 001 ecloud orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . 0.267 . . -71.02 -40.25 71.88 Favored 'General case' 0 C--O 1.202 -1.433 1 O-C-N 116.322 -4.046 . . . . 0.0 114.208 -171.832 . . . . . . . . 3 2 . 1 . 001 ecloud orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.29 -89.98 0.17 Allowed 'General case' 0 N--CA 1.401 -2.895 0 O-C-N 119.666 -1.896 . . . . 0.0 113.317 -178.847 . . . . . . . . 1 1 . 1 . 001 ecloud orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 150.02 128.19 1.57 Allowed Glycine 0 CA--C 1.56 2.888 0 CA-C-O 125.141 2.523 . . . . 0.0 109.469 -172.832 . . . . . . . . 1 1 . 1 . 001 ecloud orig core ' A' A ' 17' ' ' SER . . . . . 0.6 ' HB3' HD23 ' A' ' 12' ' ' LEU . 47.5 t -150.02 164.28 35.94 Favored 'General case' 0 C--O 1.204 -1.337 0 CA-C-N 112.367 -1.917 . . . . 0.0 108.09 160.744 . . . . . . . . 2 2 . 1 . 001 ecloud orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 86.7 m -89.37 106.38 18.41 Favored 'General case' 0 C--N 1.391 2.389 0 CA-C-O 123.188 1.471 . . . . 0.0 113.031 165.851 . . . . . . . . 1 1 . 1 . 001 ecloud orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 26.2 ttt -70.96 -50.82 30.31 Favored 'General case' 0 N--CA 1.412 -2.374 0 C-N-CA 127.512 2.325 . . . . 0.0 112.422 168.285 . . . . . . . . 1 1 . 1 . 001 ecloud orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.527 0 CA-C-O 124.814 2.341 . . . . 0.0 111.167 177.965 . . . . . . . . 0 0 . 1 . 002 ecloud orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 19.2 m . . . . . 0 N--CA 1.508 2.453 0 N-CA-C 121.28 3.808 . . . . 0.0 121.28 . . . . . . . . . 0 0 . 1 . 002 ecloud orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -90.32 69.92 2.26 Favored Glycine 0 C--O 1.188 -2.719 0 C-N-CA 116.408 -2.806 . . . . 0.0 116.474 -171.964 . . . . . . . . 1 1 . 1 . 002 ecloud orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.9 mm -59.15 -58.37 7.24 Favored 'Isoleucine or valine' 0 N--CA 1.401 -2.877 0 C-N-CA 130.856 3.663 . . . . 0.0 112.927 -174.362 . . . . . . . . 1 1 . 1 . 002 ecloud orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -76.13 -17.01 80.28 Favored Glycine 0 C--N 1.363 2.081 0 O-C-N 120.014 -1.679 . . . . 0.0 113.462 179.446 . . . . . . . . 1 1 . 1 . 002 ecloud orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.47 -43.53 98.59 Favored 'General case' 0 C--N 1.36 1.031 0 O-C-N 118.595 -2.709 . . . . 0.0 114.115 169.007 . . . . . . . . 1 1 . 1 . 002 ecloud orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.288 41.5 tp -75.85 -61.99 1.74 Allowed 'General case' 1 N--CA 1.373 -4.29 0 O-C-N 119.386 -2.071 . . . . 0.0 106.984 178.139 . . . . . . . . 3 2 . 1 . 002 ecloud orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.287 27.8 m-85 -68.46 -56.16 9.36 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 116.926 2.195 . . . . 0.0 116.926 -167.136 . . . . . . . . 2 2 . 1 . 002 ecloud orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.8 mt -78.77 -34.69 45.41 Favored 'General case' 0 C--O 1.188 -2.176 0 CA-C-N 120.455 1.48 . . . . 0.0 113.873 169.064 . . . . . . . . 1 1 . 1 . 002 ecloud orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -79.56 -64.04 1.94 Allowed Glycine 0 N--CA 1.51 3.581 0 N-CA-C 111.411 -0.676 . . . . 0.0 111.411 -169.926 . . . . . . . . 1 1 . 1 . 002 ecloud orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -79.78 -46.69 16.51 Favored 'General case' 0 C--N 1.373 1.602 0 CA-C-O 121.887 0.851 . . . . 0.0 111.744 -172.022 . . . . . . . . 1 1 . 1 . 002 ecloud orig core ' A' A ' 12' ' ' LEU . . . . . 0.51 HD23 ' HA ' ' A' ' 12' ' ' LEU . 64.1 mt -87.7 -44.63 11.03 Favored 'General case' 0 C--N 1.386 2.162 0 C-N-CA 125.52 1.528 . . . . 0.0 112.518 -174.138 . . . . . . . . 2 2 . 1 . 002 ecloud orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.23 -69.67 1.36 Allowed Glycine 0 N--CA 1.47 0.933 0 C-N-CA 119.524 -1.322 . . . . 0.0 114.738 -175.516 . . . . . . . . 1 1 . 1 . 002 ecloud orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.6 -70.77 0.35 Allowed 'General case' 0 CA--C 1.486 -1.487 0 N-CA-C 116.169 1.914 . . . . 0.0 116.169 175.448 . . . . . . . . 1 1 . 1 . 002 ecloud orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.89 -43.93 94.51 Favored 'General case' 0 CA--C 1.568 1.667 1 O-C-N 116.008 -4.183 . . . . 0.0 109.823 -170.998 . . . . . . . . 2 2 . 1 . 002 ecloud orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.14 120.45 4.51 Favored Glycine 0 C--N 1.396 3.895 0 O-C-N 117.867 -3.021 . . . . 0.0 106.613 165.084 . . . . . . . . 1 1 . 1 . 002 ecloud orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.5 t -145.37 -141.56 0.12 Allowed 'General case' 0 C--O 1.243 0.759 0 CA-C-O 114.108 -2.853 . . . . 0.0 109.352 -179.563 . . . . . . . . 1 1 . 1 . 002 ecloud orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 92.9 m -127.66 111.93 14.28 Favored 'General case' 0 C--N 1.285 -2.198 0 CA-C-N 123.132 2.696 . . . . 0.0 109.198 -166.795 . . . . . . . . 1 1 . 1 . 002 ecloud orig core ' A' A ' 19' ' ' MET . . . . . 0.442 ' HB3' ' H ' ' A' ' 20' ' ' GLY . 11.4 ttt -91.25 -100.74 0.11 Allowed 'General case' 0 CA--C 1.559 1.305 0 O-C-N 119.113 -2.242 . . . . 0.0 109.556 179.541 . . . . . . . . 2 2 . 1 . 002 ecloud orig core ' A' A ' 20' ' ' GLY . . . . . 0.442 ' H ' ' HB3' ' A' ' 19' ' ' MET . . . . . . . . 0 C--N 1.296 -1.66 0 CA-C-O 115.714 -2.714 . . . . 0.0 113.467 -174.944 . . . . . . . . 1 1 . 1 . 003 ecloud orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.8 m . . . . . 0 CA--C 1.562 1.412 0 CA-C-O 123.017 1.389 . . . . 0.0 113.471 . . . . . . . . . 0 0 . 1 . 003 ecloud orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -84.61 77.17 2.14 Favored Glycine 0 C--O 1.203 -1.821 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 -171.34 . . . . . . . . 1 1 . 1 . 003 ecloud orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 47.4 mm -62.55 -50.11 81.14 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.983 0 C-N-CA 130.071 3.348 . . . . 0.0 108.332 -178.32 . . . . . . . . 1 1 . 1 . 003 ecloud orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -79.84 -35.2 28.75 Favored Glycine 0 C--O 1.173 -3.666 0 O-C-N 119.876 -1.765 . . . . 0.0 109.502 -177.236 . . . . . . . . 1 1 . 1 . 003 ecloud orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.83 -52.25 21.55 Favored 'General case' 0 C--N 1.309 -1.195 0 C-N-CA 128.649 2.78 . . . . 0.0 113.231 -171.751 . . . . . . . . 1 1 . 1 . 003 ecloud orig core ' A' A ' 7' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 7' ' ' LEU . 33.4 tp -68.37 -59.05 3.47 Favored 'General case' 0 N--CA 1.499 2.017 0 CA-C-O 125.651 2.643 . . . . 0.0 114.23 173.548 . . . . . . . . 2 2 . 1 . 003 ecloud orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -76.23 -47.16 24.95 Favored 'General case' 0 C--N 1.373 1.625 1 O-C-N 114.49 -5.131 . . . . 0.0 113.898 -171.381 . . . . . . . . 2 2 . 1 . 003 ecloud orig core ' A' A ' 9' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 9' ' ' LEU . 27.2 mt -92.23 -36.47 13.23 Favored 'General case' 0 C--O 1.211 -0.955 0 O-C-N 118.79 -2.444 . . . . 0.0 110.265 -173.364 . . . . . . . . 2 2 . 1 . 003 ecloud orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.03 -69.5 1.39 Allowed Glycine 0 C--N 1.373 2.599 0 O-C-N 117.509 -3.245 . . . . 0.0 107.805 -176.622 . . . . . . . . 1 1 . 1 . 003 ecloud orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -80.68 -65.06 1.06 Allowed 'General case' 0 C--O 1.18 -2.56 0 N-CA-C 114.625 1.343 . . . . 0.0 114.625 -175.304 . . . . . . . . 1 1 . 1 . 003 ecloud orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.6 mt -62.27 -34.02 75.75 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 118.914 -2.366 . . . . 0.0 113.699 -175.235 . . . . . . . . 1 1 . 1 . 003 ecloud orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.71 -75.05 1.2 Allowed Glycine 0 C--O 1.187 -2.84 0 CA-C-O 126.596 3.331 . . . . 0.0 120.213 176.136 . . . . . . . . 1 1 . 1 . 003 ecloud orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.33 -46.48 66.97 Favored 'General case' 0 C--O 1.255 1.364 0 O-C-N 118.17 -2.959 . . . . 0.0 112.504 -171.367 . . . . . . . . 1 1 . 1 . 003 ecloud orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.43 -42.98 11.19 Favored 'General case' 0 C--O 1.189 -2.115 0 N-CA-C 105.873 -1.899 . . . . 0.0 105.873 -173.445 . . . . . . . . 1 1 . 1 . 003 ecloud orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 105.8 140.16 9.96 Favored Glycine 0 C--N 1.368 2.333 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.684 160.848 . . . . . . . . 1 1 . 1 . 003 ecloud orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.9 t -161.38 161.36 30.32 Favored 'General case' 0 N--CA 1.506 2.374 0 CA-C-O 124.208 1.956 . . . . 0.0 109.482 171.881 . . . . . . . . 1 1 . 1 . 003 ecloud orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 88.9 m -66.63 120.55 13.64 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 118.462 -2.649 . . . . 0.0 108.126 167.986 . . . . . . . . 1 1 . 1 . 003 ecloud orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 24.8 ttt -95.03 -41.98 8.86 Favored 'General case' 0 N--CA 1.401 -2.918 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 -179.939 . . . . . . . . 1 1 . 1 . 003 ecloud orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.398 -3.856 0 C-N-CA 125.693 1.616 . . . . 0.0 111.848 179.884 . . . . . . . . 0 0 . 1 . 004 ecloud orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.5 m . . . . . 0 C--O 1.285 2.969 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 . . . . . . . . . 0 0 . 1 . 004 ecloud orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -81.33 92.44 1.49 Allowed Glycine 0 N--CA 1.441 -0.978 0 O-C-N 127.353 2.908 . . . . 0.0 108.514 174.946 . . . . . . . . 1 1 . 1 . 004 ecloud orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.0 mm -69.44 -32.88 54.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 CA-C-O 122.675 1.226 . . . . 0.0 108.743 -176.145 . . . . . . . . 1 1 . 1 . 004 ecloud orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.2 -55.4 7.04 Favored Glycine 0 CA--C 1.47 -2.734 0 CA-C-N 114.133 -1.394 . . . . 0.0 115.445 177.315 . . . . . . . . 1 1 . 1 . 004 ecloud orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.92 -49.93 75.47 Favored 'General case' 0 C--O 1.196 -1.744 0 O-C-N 118.383 -2.833 . . . . 0.0 114.043 -171.091 . . . . . . . . 1 1 . 1 . 004 ecloud orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 23.0 tp -66.62 -61.88 1.75 Allowed 'General case' 0 C--O 1.258 1.525 0 CA-C-O 118.084 -0.96 . . . . 0.0 110.158 -176.239 . . . . . . . . 1 1 . 1 . 004 ecloud orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -74.83 -60.49 2.26 Favored 'General case' 0 CA--C 1.478 -1.819 0 CA-C-O 115.886 -2.007 . . . . 0.0 111.75 -173.399 . . . . . . . . 1 1 . 1 . 004 ecloud orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 24.4 mt -73.62 -34.63 65.1 Favored 'General case' 0 C--N 1.28 -2.436 0 N-CA-C 118.434 2.753 . . . . 0.0 118.434 178.241 . . . . . . . . 1 1 . 1 . 004 ecloud orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -79.83 -57.88 2.96 Favored Glycine 0 C--N 1.31 -0.889 0 CA-C-N 114.517 -1.219 . . . . 0.0 114.189 -176.843 . . . . . . . . 1 1 . 1 . 004 ecloud orig core ' A' A ' 11' ' ' PHE . . . . . 0.414 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 20.4 t80 -85.1 -52.37 6.0 Favored 'General case' 0 C--O 1.285 2.95 0 O-C-N 119.845 -1.973 . . . . 0.0 109.882 -169.523 . . . . . . . . 2 2 . 1 . 004 ecloud orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.7 mt -83.97 -26.45 29.23 Favored 'General case' 0 CA--C 1.475 -1.942 0 CA-C-O 122.869 1.319 . . . . 0.0 112.618 -172.455 . . . . . . . . 1 1 . 1 . 004 ecloud orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -90.69 -60.55 1.35 Allowed Glycine 0 N--CA 1.413 -2.872 1 N-CA-C 123.749 4.26 . . . . 0.0 123.749 175.046 . . . . . . . . 2 2 . 1 . 004 ecloud orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.82 -52.98 11.3 Favored 'General case' 0 C--O 1.275 2.423 0 O-C-N 119.67 -2.077 . . . . 0.0 111.723 179.703 . . . . . . . . 1 1 . 1 . 004 ecloud orig core ' A' A ' 15' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 11' ' ' PHE . . . -65.32 -58.56 5.61 Favored 'General case' 0 C--N 1.357 0.919 0 O-C-N 118.168 -2.832 . . . . 0.0 112.233 -177.361 . . . . . . . . 2 2 . 1 . 004 ecloud orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 117.97 45.34 0.5 Allowed Glycine 0 N--CA 1.404 -3.444 0 CA-C-O 115.838 -2.645 . . . . 0.0 118.619 175.162 . . . . . . . . 1 1 . 1 . 004 ecloud orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.5 t -77.43 -172.17 2.4 Favored 'General case' 0 C--O 1.268 2.034 0 C-N-CA 112.814 -3.554 . . . . 0.0 116.819 175.925 . . . . . . . . 1 1 . 1 . 004 ecloud orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.2 m -111.0 90.26 3.28 Favored 'General case' 0 C--N 1.377 1.778 0 C-N-CA 125.556 1.542 . . . . 0.0 108.938 -168.084 . . . . . . . . 1 1 . 1 . 004 ecloud orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.7 ttp -78.03 -48.55 15.89 Favored 'General case' 0 C--N 1.364 1.206 0 O-C-N 119.19 -2.194 . . . . 0.0 106.786 173.254 . . . . . . . . 1 1 . 1 . 004 ecloud orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.532 0 CA-C-O 125.177 2.543 . . . . 0.0 112.003 155.958 . . . . . . . . 0 0 . 1 . 005 ecloud orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.269 2.124 0 CA-C-O 123.979 1.847 . . . . 0.0 106.268 . . . . . . . . . 0 0 . 1 . 005 ecloud orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -77.96 100.11 1.58 Allowed Glycine 0 CA--C 1.542 1.77 0 N-CA-C 119.468 2.547 . . . . 0.0 119.468 159.303 . . . . . . . . 1 1 . 1 . 005 ecloud orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 50.5 mm -79.73 -50.69 17.53 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.379 0 O-C-N 118.996 -2.473 . . . . 0.0 113.72 177.782 . . . . . . . . 1 1 . 1 . 005 ecloud orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -76.58 -33.58 47.11 Favored Glycine 0 N--CA 1.477 1.384 0 O-C-N 117.055 -3.528 . . . . 0.0 109.222 177.594 . . . . . . . . 1 1 . 1 . 005 ecloud orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.98 -33.27 62.32 Favored 'General case' 0 N--CA 1.409 -2.489 0 C-N-CA 131.058 3.743 . . . . 0.0 117.138 166.656 . . . . . . . . 1 1 . 1 . 005 ecloud orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.5 tp -71.17 -66.71 0.58 Allowed 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 126.708 2.003 . . . . 0.0 110.612 166.668 . . . . . . . . 1 1 . 1 . 005 ecloud orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.286 40.9 m-85 -61.27 -56.79 16.5 Favored 'General case' 0 N--CA 1.427 -1.588 0 N-CA-C 117.954 2.576 . . . . 0.0 117.954 -167.951 . . . . . . . . 2 2 . 1 . 005 ecloud orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.8 mt -94.25 -36.01 12.19 Favored 'General case' 0 N--CA 1.412 -2.331 0 CA-C-N 110.507 -3.042 . . . . 0.0 107.68 -169.381 . . . . . . . . 1 1 . 1 . 005 ecloud orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.15 -59.3 2.44 Favored Glycine 0 C--N 1.385 3.27 0 O-C-N 127.546 3.029 . . . . 0.0 111.859 -177.828 . . . . . . . . 1 1 . 1 . 005 ecloud orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -83.34 -43.06 16.37 Favored 'General case' 0 CA--C 1.498 -1.04 0 O-C-N 119.409 -2.23 . . . . 0.0 113.268 -172.917 . . . . . . . . 1 1 . 1 . 005 ecloud orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.5 mt -81.74 -39.26 24.46 Favored 'General case' 0 C--N 1.363 1.19 0 N-CA-C 116.791 2.145 . . . . 0.0 116.791 -179.585 . . . . . . . . 1 1 . 1 . 005 ecloud orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.66 -82.78 0.46 Allowed Glycine 0 N--CA 1.425 -2.06 0 C-N-CA 129.159 3.266 . . . . 0.0 113.833 175.821 . . . . . . . . 1 1 . 1 . 005 ecloud orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . 0.304 . . -50.13 -60.08 3.3 Favored 'General case' 1 N--CA 1.377 -4.084 1 C-N-CA 132.818 4.447 . . . . 0.0 111.25 -172.483 . . . . . . . . 4 2 . 1 . 005 ecloud orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.83 -68.75 0.51 Allowed 'General case' 0 C--N 1.376 1.722 0 CA-C-N 111.796 -2.457 . . . . 0.0 114.983 -177.528 . . . . . . . . 1 1 . 1 . 005 ecloud orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 132.07 53.6 0.09 OUTLIER Glycine 0 C--N 1.387 3.391 1 O-C-N 114.717 -4.989 . . . . 0.0 113.807 159.596 . . . . . . . . 2 2 . 1 . 005 ecloud orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.8 t -91.45 144.9 25.09 Favored 'General case' 0 C--N 1.38 1.914 0 C-N-CA 118.276 -1.369 . . . . 0.0 110.631 162.682 . . . . . . . . 1 1 . 1 . 005 ecloud orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 63.5 m -73.08 126.58 30.34 Favored 'General case' 0 N--CA 1.509 2.492 0 N-CA-C 106.599 -1.63 . . . . 0.0 106.599 -179.445 . . . . . . . . 1 1 . 1 . 005 ecloud orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 25.7 ttt -84.72 -52.48 6.04 Favored 'General case' 0 CA--C 1.486 -1.506 0 C-N-CA 126.061 1.744 . . . . 0.0 114.165 159.827 . . . . . . . . 1 1 . 1 . 005 ecloud orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.373 2.617 0 O-C-N 119.696 -1.878 . . . . 0.0 111.406 176.985 . . . . . . . . 0 0 . 1 . 006 ecloud orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.0 m . . . . . 0 CA--C 1.476 -1.902 0 CA-C-O 124.777 2.227 . . . . 0.0 107.208 . . . . . . . . . 0 0 . 1 . 006 ecloud orig core ' A' A ' 3' ' ' GLY . . . . . 0.406 ' O ' ' HB3' ' A' ' 6' ' ' ALA . . . -75.04 93.04 0.85 Allowed Glycine 0 C--N 1.35 1.346 0 O-C-N 119.267 -2.146 . . . . 0.0 117.902 172.522 . . . . . . . . 2 2 . 1 . 006 ecloud orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 16.3 mm -53.92 -63.24 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.285 -2.196 0 CA-C-O 115.076 -2.392 . . . . 0.0 116.655 172.089 . . . . . . . . 1 1 . 1 . 006 ecloud orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -62.34 -40.07 98.57 Favored Glycine 0 C--N 1.358 1.784 0 CA-C-O 127.452 3.807 . . . . 0.0 116.089 171.856 . . . . . . . . 1 1 . 1 . 006 ecloud orig core ' A' A ' 6' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 3' ' ' GLY . . . -41.39 -48.45 3.74 Favored 'General case' 0 C--N 1.375 1.702 0 O-C-N 116.828 -3.748 . . . . 0.0 116.818 169.014 . . . . . . . . 2 2 . 1 . 006 ecloud orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.331 25.9 tp -84.86 -53.11 5.55 Favored 'General case' 0 CA--C 1.593 2.613 0 CA-C-O 121.7 0.762 . . . . 0.0 110.716 177.151 . . . . . . . . 2 2 . 1 . 006 ecloud orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -70.12 -46.48 64.71 Favored 'General case' 0 N--CA 1.422 -1.874 0 O-C-N 119.628 -1.92 . . . . 0.0 113.293 -168.363 . . . . . . . . 1 1 . 1 . 006 ecloud orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.7 mt -82.89 -50.14 8.92 Favored 'General case' 0 C--N 1.39 2.331 0 C-N-CA 128.802 2.841 . . . . 0.0 114.932 178.175 . . . . . . . . 1 1 . 1 . 006 ecloud orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.66 -70.55 0.93 Allowed Glycine 1 C--N 1.404 4.345 0 C-N-CA 127.856 2.646 . . . . 0.0 114.676 171.372 . . . . . . . . 2 2 . 1 . 006 ecloud orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -84.65 -53.49 5.35 Favored 'General case' 0 CA--C 1.5 -0.947 0 N-CA-C 120.099 3.37 . . . . 0.0 120.099 -165.65 . . . . . . . . 1 1 . 1 . 006 ecloud orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.8 mt -70.79 -56.08 7.14 Favored 'General case' 0 N--CA 1.408 -2.529 0 CA-C-O 124.32 2.01 . . . . 0.0 110.261 172.293 . . . . . . . . 1 1 . 1 . 006 ecloud orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.0 -88.76 0.02 OUTLIER Glycine 0 CA--C 1.558 2.746 1 O-C-N 115.328 -4.607 . . . . 0.0 116.192 171.288 . . . . . . . . 2 2 . 1 . 006 ecloud orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.74 -59.05 5.06 Favored 'General case' 0 CA--C 1.582 2.185 0 CA-C-N 119.03 1.415 . . . . 0.0 113.949 -166.203 . . . . . . . . 1 1 . 1 . 006 ecloud orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.28 -60.66 2.95 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 116.712 2.115 . . . . 0.0 116.712 170.617 . . . . . . . . 1 1 . 1 . 006 ecloud orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.5 46.45 1.67 Allowed Glycine 0 C--N 1.391 3.629 0 N-CA-C 117.536 1.774 . . . . 0.0 117.536 171.955 . . . . . . . . 1 1 . 1 . 006 ecloud orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.8 t -77.61 170.22 16.94 Favored 'General case' 0 CA--C 1.571 1.776 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 159.641 . . . . . . . . 1 1 . 1 . 006 ecloud orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.2 m -99.44 138.31 36.71 Favored 'General case' 0 C--O 1.249 1.063 0 CA-C-O 125.615 2.626 . . . . 0.0 111.121 -167.624 . . . . . . . . 1 1 . 1 . 006 ecloud orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 7.7 ttt -95.59 -64.87 1.02 Allowed 'General case' 0 C--O 1.212 -0.882 0 CA-C-N 113.005 -1.907 . . . . 0.0 109.633 176.349 . . . . . . . . 1 1 . 1 . 006 ecloud orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.284 -2.31 1 C-N-CA 131.373 4.32 . . . . 0.0 112.39 -168.912 . . . . . . . . 1 1 . 1 . 007 ecloud orig core ' A' A ' 2' ' ' VAL . . . . . 0.431 HG23 HD11 ' A' ' 4' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.238 0.467 0 CA-C-O 124.448 2.07 . . . . 0.0 113.627 . . . . . . . . . 2 2 . 1 . 007 ecloud orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -95.56 82.94 0.86 Allowed Glycine 0 CA--C 1.462 -3.244 0 C-N-CA 127.584 2.516 . . . . 0.0 117.45 165.665 . . . . . . . . 1 1 . 1 . 007 ecloud orig core ' A' A ' 4' ' ' ILE . . . . . 0.431 HD11 HG23 ' A' ' 2' ' ' VAL . 3.0 mm -59.98 -62.18 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 129.411 3.084 . . . . 0.0 110.451 174.333 . . . . . . . . 2 2 . 1 . 007 ecloud orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.0 -30.26 68.03 Favored Glycine 0 CA--C 1.463 -3.179 0 C-N-CA 116.492 -2.766 . . . . 0.0 112.126 -173.306 . . . . . . . . 1 1 . 1 . 007 ecloud orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.43 -37.05 82.11 Favored 'General case' 0 C--N 1.367 1.358 1 CA-C-O 129.145 4.307 . . . . 0.0 110.701 -175.529 . . . . . . . . 2 2 . 1 . 007 ecloud orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 52.2 tp -81.09 -71.32 0.48 Allowed 'General case' 0 C--N 1.368 1.409 0 O-C-N 118.225 -2.797 . . . . 0.0 108.495 178.297 . . . . . . . . 1 1 . 1 . 007 ecloud orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -67.71 -48.46 66.46 Favored 'General case' 0 N--CA 1.534 3.734 0 O-C-N 118.255 -2.778 . . . . 0.0 110.486 -168.826 . . . . . . . . 1 1 . 1 . 007 ecloud orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.7 mt -90.58 -31.73 16.58 Favored 'General case' 0 N--CA 1.398 -3.044 1 O-C-N 113.114 -5.991 . . . . 0.0 109.511 -173.072 . . . . . . . . 2 2 . 1 . 007 ecloud orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.81 -74.15 1.28 Allowed Glycine 0 C--N 1.38 3.005 0 CA-C-N 118.676 0.671 . . . . 0.0 113.844 173.965 . . . . . . . . 1 1 . 1 . 007 ecloud orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -74.64 -39.18 62.24 Favored 'General case' 0 CA--C 1.577 1.986 0 O-C-N 117.577 -3.307 . . . . 0.0 107.106 -157.162 . . . . . . . . 1 1 . 1 . 007 ecloud orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.3 mt -83.76 -47.18 11.43 Favored 'General case' 0 N--CA 1.408 -2.534 0 CA-C-N 114.109 -1.405 . . . . 0.0 112.064 -178.413 . . . . . . . . 1 1 . 1 . 007 ecloud orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.37 -84.91 0.1 OUTLIER Glycine 1 CA--C 1.437 -4.842 0 CA-C-O 126.917 3.509 . . . . 0.0 115.247 -176.67 . . . . . . . . 2 2 . 1 . 007 ecloud orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.06 -32.78 44.94 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 117.407 -3.408 . . . . 0.0 112.338 -169.161 . . . . . . . . 1 1 . 1 . 007 ecloud orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.37 -66.68 0.59 Allowed 'General case' 0 C--O 1.195 -1.795 0 CA-C-O 123.561 1.648 . . . . 0.0 113.18 175.477 . . . . . . . . 1 1 . 1 . 007 ecloud orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.76 47.85 0.24 Allowed Glycine 0 C--N 1.38 3.007 0 O-C-N 117.17 -3.457 . . . . 0.0 112.162 161.382 . . . . . . . . 1 1 . 1 . 007 ecloud orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.8 m -84.96 153.7 22.63 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 113.803 -3.159 . . . . 0.0 106.569 174.634 . . . . . . . . 1 1 . 1 . 007 ecloud orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . 0.264 62.6 m -60.04 122.28 13.95 Favored 'General case' 0 N--CA 1.416 -2.16 0 O-C-N 117.46 -3.275 . . . . 0.0 114.344 -178.11 . . . . . . . . 2 2 . 1 . 007 ecloud orig core ' A' A ' 19' ' ' MET . . . . . 0.444 ' HB3' ' H ' ' A' ' 20' ' ' GLY . 6.0 ttt -103.44 -95.36 0.31 Allowed 'General case' 0 CA--C 1.459 -2.525 0 C-N-CA 126.435 1.894 . . . . 0.0 108.477 -174.164 . . . . . . . . 2 2 . 1 . 007 ecloud orig core ' A' A ' 20' ' ' GLY . . . . . 0.444 ' H ' ' HB3' ' A' ' 19' ' ' MET . . . . . . . . 0 C--O 1.187 -2.819 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 173.155 . . . . . . . . 1 1 . 1 . 008 ecloud orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.476 0.835 0 CA-C-O 120.881 0.372 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 008 ecloud orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.88 77.66 1.77 Allowed Glycine 0 N--CA 1.486 1.989 0 C-N-CA 127.028 2.251 . . . . 0.0 112.462 -169.177 . . . . . . . . 1 1 . 1 . 008 ecloud orig core ' A' A ' 4' ' ' ILE . . . . . 0.54 ' HA ' HD13 ' A' ' 4' ' ' ILE . 36.8 mm -63.55 -54.2 35.43 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.339 0 O-C-N 118.037 -3.037 . . . . 0.0 107.495 179.963 . . . . . . . . 2 2 . 1 . 008 ecloud orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.11 -34.88 50.93 Favored Glycine 0 C--N 1.394 3.782 0 CA-C-O 117.758 -1.579 . . . . 0.0 112.035 -178.652 . . . . . . . . 1 1 . 1 . 008 ecloud orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -46.78 -39.23 11.4 Favored 'General case' 0 CA--C 1.594 2.669 0 CA-C-N 119.778 1.789 . . . . 0.0 115.6 162.83 . . . . . . . . 1 1 . 1 . 008 ecloud orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 19.7 tp -78.12 -58.32 3.32 Favored 'General case' 0 N--CA 1.404 -2.762 0 CA-C-O 124.312 2.006 . . . . 0.0 109.846 177.908 . . . . . . . . 1 1 . 1 . 008 ecloud orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.288 15.2 m-85 -65.29 -59.22 4.29 Favored 'General case' 0 CA--C 1.552 1.056 0 O-C-N 117.39 -3.319 . . . . 0.0 111.439 -168.557 . . . . . . . . 2 2 . 1 . 008 ecloud orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 84.5 mt -79.46 -39.99 30.91 Favored 'General case' 0 N--CA 1.439 -1.022 1 O-C-N 115.477 -4.514 . . . . 0.0 114.141 -179.165 . . . . . . . . 2 2 . 1 . 008 ecloud orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.68 -72.94 1.02 Allowed Glycine 1 C--N 1.418 5.121 0 N-CA-C 117.389 1.716 . . . . 0.0 117.389 179.855 . . . . . . . . 2 2 . 1 . 008 ecloud orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -71.9 -51.48 22.03 Favored 'General case' 0 C--N 1.362 1.143 0 C-N-CA 127.153 2.181 . . . . 0.0 109.001 -165.495 . . . . . . . . 1 1 . 1 . 008 ecloud orig core ' A' A ' 12' ' ' LEU . . . . . 0.727 HD22 ' HB2' ' A' ' 19' ' ' MET . 78.2 mt -57.9 -81.92 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.745 0 O-C-N 119.632 -1.917 . . . . 0.0 114.871 166.006 . . . . . . . . 2 2 . 1 . 008 ecloud orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -43.38 -65.27 1.54 Allowed Glycine 0 C--N 1.387 3.368 1 N-CA-C 123.748 4.259 . . . . 0.0 123.748 178.354 . . . . . . . . 2 2 . 1 . 008 ecloud orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.78 -57.06 4.68 Favored 'General case' 0 C--N 1.364 1.203 0 O-C-N 116.809 -3.759 . . . . 0.0 115.181 178.501 . . . . . . . . 1 1 . 1 . 008 ecloud orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . 0.267 . . -62.66 -88.43 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.513 0 O-C-N 120.444 -1.41 . . . . 0.0 113.693 -178.624 . . . . . . . . 2 2 . 1 . 008 ecloud orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 165.78 -2.03 0.05 OUTLIER Glycine 0 C--O 1.203 -1.831 1 C-N-CA 112.796 -4.526 . . . . 0.0 113.302 -162.523 . . . . . . . . 2 2 . 1 . 008 ecloud orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.9 m -81.03 126.19 31.11 Favored 'General case' 0 C--O 1.167 -3.289 0 CA-C-N 118.431 1.116 . . . . 0.0 113.501 -171.551 . . . . . . . . 1 1 . 1 . 008 ecloud orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 85.2 m -60.17 117.61 5.35 Favored 'General case' 0 C--O 1.268 2.057 0 N-CA-C 115.871 1.804 . . . . 0.0 115.871 -178.704 . . . . . . . . 1 1 . 1 . 008 ecloud orig core ' A' A ' 19' ' ' MET . . . . . 0.727 ' HB2' HD22 ' A' ' 12' ' ' LEU . 40.5 ttp -84.62 -47.34 10.62 Favored 'General case' 0 C--O 1.244 0.764 0 O-C-N 119.104 -2.248 . . . . 0.0 108.754 163.367 . . . . . . . . 2 2 . 1 . 008 ecloud orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.265 2.053 0 CA-C-O 114.573 -3.349 . . . . 0.0 113.634 170.743 . . . . . . . . 0 0 . 1 . 009 ecloud orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.2 m . . . . . 0 CA--C 1.553 1.058 0 N-CA-C 115.393 1.627 . . . . 0.0 115.393 . . . . . . . . . 0 0 . 1 . 009 ecloud orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -97.99 86.57 0.8 Allowed Glycine 0 C--N 1.365 2.192 0 CA-C-O 125.457 2.698 . . . . 0.0 116.245 -175.021 . . . . . . . . 1 1 . 1 . 009 ecloud orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . 0.348 6.7 mm -62.83 -36.59 76.17 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.075 0 O-C-N 120.258 -1.73 . . . . 0.0 115.395 -176.155 . . . . . . . . 2 2 . 1 . 009 ecloud orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -82.36 -31.41 30.94 Favored Glycine 0 CA--C 1.454 -3.778 0 CA-C-N 112.414 -2.175 . . . . 0.0 116.054 177.036 . . . . . . . . 1 1 . 1 . 009 ecloud orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . 0.257 . . -60.41 -31.99 70.91 Favored 'General case' 0 C--O 1.197 -1.674 0 N-CA-C 117.958 2.577 . . . . 0.0 117.958 161.547 . . . . . . . . 2 2 . 1 . 009 ecloud orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 27.8 tp -73.33 -73.5 0.21 Allowed 'General case' 0 C--N 1.361 1.096 0 CA-C-O 124.423 2.059 . . . . 0.0 107.801 173.295 . . . . . . . . 1 1 . 1 . 009 ecloud orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -64.42 -62.11 1.8 Allowed 'General case' 0 C--N 1.408 3.132 0 N-CA-C 117.731 2.493 . . . . 0.0 117.731 -169.024 . . . . . . . . 1 1 . 1 . 009 ecloud orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 43.2 mt -77.17 -33.13 56.57 Favored 'General case' 0 C--N 1.364 1.206 0 N-CA-C 117.356 2.354 . . . . 0.0 117.356 -176.607 . . . . . . . . 1 1 . 1 . 009 ecloud orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.27 -74.97 1.24 Allowed Glycine 1 N--CA 1.378 -5.229 0 O-C-N 126.287 2.242 . . . . 0.0 117.017 175.446 . . . . . . . . 2 2 . 1 . 009 ecloud orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -58.22 -48.98 78.67 Favored 'General case' 0 N--CA 1.498 1.942 0 CA-C-N 122.59 3.195 . . . . 0.0 113.88 -178.5 . . . . . . . . 1 1 . 1 . 009 ecloud orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.4 mt -84.57 -65.66 0.98 Allowed 'General case' 0 C--N 1.398 2.687 0 N-CA-C 104.972 -2.232 . . . . 0.0 104.972 -174.141 . . . . . . . . 1 1 . 1 . 009 ecloud orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.8 -66.81 2.57 Favored Glycine 0 CA--C 1.556 2.645 1 N-CA-C 126.607 5.403 . . . . 0.0 126.607 -176.042 . . . . . . . . 2 2 . 1 . 009 ecloud orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.26 -44.66 16.03 Favored 'General case' 0 CA--C 1.576 1.97 0 O-C-N 119.556 -2.143 . . . . 0.0 111.077 -175.379 . . . . . . . . 1 1 . 1 . 009 ecloud orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.33 -50.34 22.59 Favored 'General case' 0 N--CA 1.393 -3.3 0 CA-C-O 122.861 1.315 . . . . 0.0 111.215 -174.787 . . . . . . . . 1 1 . 1 . 009 ecloud orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 111.04 50.13 0.64 Allowed Glycine 0 CA--C 1.464 -3.105 0 O-C-N 118.307 -2.746 . . . . 0.0 115.751 166.862 . . . . . . . . 1 1 . 1 . 009 ecloud orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.3 m -68.52 146.61 52.96 Favored 'General case' 0 C--O 1.209 -1.056 0 CA-C-N 123.27 3.535 . . . . 0.0 110.603 167.512 . . . . . . . . 1 1 . 1 . 009 ecloud orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 43.9 m -102.84 123.28 46.2 Favored 'General case' 0 CA--C 1.581 2.151 0 N-CA-C 102.296 -3.224 . . . . 0.0 102.296 -178.925 . . . . . . . . 1 1 . 1 . 009 ecloud orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.8 ttp -88.61 -58.4 2.57 Favored 'General case' 0 N--CA 1.403 -2.817 1 C-N-CA 132.66 4.384 . . . . 0.0 113.198 -172.581 . . . . . . . . 2 2 . 1 . 009 ecloud orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.378 2.864 0 O-C-N 118.487 -2.633 . . . . 0.0 107.896 -165.753 . . . . . . . . 0 0 . 1 . 010 ecloud orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.2 m . . . . . 0 CA--C 1.465 -2.319 0 CA-C-O 123.778 1.752 . . . . 0.0 106.918 . . . . . . . . . 0 0 . 1 . 010 ecloud orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -96.77 96.26 1.86 Allowed Glycine 1 C--N 1.406 4.472 0 N-CA-C 109.334 -1.506 . . . . 0.0 109.334 -163.83 . . . . . . . . 2 2 . 1 . 010 ecloud orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.0 mm -71.42 -43.92 72.31 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.642 0 C-N-CA 123.994 0.918 . . . . 0.0 110.087 -174.587 . . . . . . . . 1 1 . 1 . 010 ecloud orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -51.38 -53.04 29.96 Favored Glycine 1 CA--C 1.58 4.126 0 O-C-N 118.417 -2.677 . . . . 0.0 112.244 165.97 . . . . . . . . 2 2 . 1 . 010 ecloud orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.25 -46.96 82.55 Favored 'General case' 0 C--N 1.402 2.89 0 O-C-N 127.723 2.661 . . . . 0.0 115.906 -176.014 . . . . . . . . 1 1 . 1 . 010 ecloud orig core ' A' A ' 7' ' ' LEU . . . . . 0.511 ' HA ' HD12 ' A' ' 7' ' ' LEU . 15.7 tp -61.71 -70.0 0.21 Allowed 'General case' 0 C--N 1.415 3.424 0 O-C-N 118.652 -2.53 . . . . 0.0 115.783 167.269 . . . . . . . . 2 2 . 1 . 010 ecloud orig core ' A' A ' 8' ' ' PHE . . . . . 0.674 ' HA ' HD12 ' A' ' 12' ' ' LEU . 56.7 m-85 -85.05 -38.95 18.56 Favored 'General case' 0 C--O 1.251 1.165 0 O-C-N 117.71 -3.119 . . . . 0.0 114.19 -155.334 . . . . . . . . 2 2 . 1 . 010 ecloud orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 tt -83.31 -61.68 1.79 Allowed 'General case' 0 N--CA 1.437 -1.109 0 O-C-N 119.869 -1.769 . . . . 0.0 110.444 171.753 . . . . . . . . 1 1 . 1 . 010 ecloud orig core ' A' A ' 10' ' ' GLY . . . . . 0.476 ' HA2' ' HB3' ' A' ' 14' ' ' ALA . . . -70.31 -61.66 4.1 Favored Glycine 0 N--CA 1.479 1.54 0 CA-C-N 120.929 1.695 . . . . 0.0 110.012 -170.816 . . . . . . . . 2 2 . 1 . 010 ecloud orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -69.61 -55.01 11.27 Favored 'General case' 0 CA--C 1.594 2.658 0 CA-C-N 121.485 2.642 . . . . 0.0 112.162 -175.284 . . . . . . . . 1 1 . 1 . 010 ecloud orig core ' A' A ' 12' ' ' LEU . . . . . 0.674 HD12 ' HA ' ' A' ' 8' ' ' PHE . 88.9 mt -63.72 -38.93 92.97 Favored 'General case' 0 C--O 1.275 2.433 0 O-C-N 117.527 -3.233 . . . . 0.0 119.318 -177.358 . . . . . . . . 2 2 . 1 . 010 ecloud orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.53 -49.1 0.53 Allowed Glycine 1 C--N 1.413 4.84 0 CA-C-O 115.136 -3.035 . . . . 0.0 112.279 -170.423 . . . . . . . . 2 2 . 1 . 010 ecloud orig core ' A' A ' 14' ' ' ALA . . . . . 0.476 ' HB3' ' HA2' ' A' ' 10' ' ' GLY . . . -70.3 -52.19 24.72 Favored 'General case' 0 N--CA 1.42 -1.946 1 CA-C-N 125.025 4.412 . . . . 0.0 112.937 179.321 . . . . . . . . 3 3 . 1 . 010 ecloud orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.33 -57.25 3.8 Favored 'General case' 0 C--O 1.191 -2.001 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -177.984 . . . . . . . . 1 1 . 1 . 010 ecloud orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 131.88 38.42 0.26 Allowed Glycine 1 CA--C 1.449 -4.034 0 O-C-N 126.043 2.089 . . . . 0.0 113.799 148.837 . . . . . . . . 2 2 . 1 . 010 ecloud orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.0 m -79.88 161.77 25.39 Favored 'General case' 0 C--N 1.374 1.674 0 O-C-N 118.647 -2.678 . . . . 0.0 113.642 -178.256 . . . . . . . . 1 1 . 1 . 010 ecloud orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.1 m -96.54 116.73 29.57 Favored 'General case' 0 CA--C 1.492 -1.27 0 CA-C-O 126.357 2.98 . . . . 0.0 109.284 -168.274 . . . . . . . . 1 1 . 1 . 010 ecloud orig core ' A' A ' 19' ' ' MET . . . . . 0.571 ' HB2' HD22 ' A' ' 12' ' ' LEU . 45.7 ttp -78.01 -54.94 5.72 Favored 'General case' 0 CA--C 1.452 -2.812 0 O-C-N 117.454 -3.279 . . . . 0.0 105.061 170.334 . . . . . . . . 2 2 . 1 . 010 ecloud orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.48 -2.136 0 O-C-N 117.853 -3.029 . . . . 0.0 105.627 170.535 . . . . . . . . 0 0 . 1 . 011 ecloud orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.261 1.697 0 CA-C-O 123.582 1.658 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 011 ecloud orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -79.78 85.13 1.28 Allowed Glycine 0 CA--C 1.465 -3.042 0 O-C-N 118.615 -2.553 . . . . 0.0 112.757 174.38 . . . . . . . . 1 1 . 1 . 011 ecloud orig core ' A' A ' 4' ' ' ILE . . . . . 0.49 HD12 HG23 ' A' ' 4' ' ' ILE . 6.8 mm -84.87 -52.33 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.375 0 C-N-CA 128.787 2.835 . . . . 0.0 112.353 -174.641 . . . . . . . . 2 2 . 1 . 011 ecloud orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -65.34 -39.15 95.71 Favored Glycine 0 C--N 1.382 3.115 1 CA-C-O 127.86 4.033 . . . . 0.0 111.508 175.102 . . . . . . . . 2 2 . 1 . 011 ecloud orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.14 -41.9 93.68 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 131.323 3.849 . . . . 0.0 107.339 176.767 . . . . . . . . 1 1 . 1 . 011 ecloud orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 25.9 tp -63.86 -82.49 0.02 OUTLIER 'General case' 0 C--O 1.2 -1.504 0 O-C-N 118.556 -2.59 . . . . 0.0 114.441 167.682 . . . . . . . . 1 1 . 1 . 011 ecloud orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -56.75 -52.22 65.82 Favored 'General case' 0 CA--C 1.499 -0.99 1 O-C-N 115.409 -4.557 . . . . 0.0 115.147 -173.997 . . . . . . . . 2 2 . 1 . 011 ecloud orig core ' A' A ' 9' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 9' ' ' LEU . 91.3 mt -85.26 -34.32 21.98 Favored 'General case' 0 C--O 1.21 -1.026 0 CA-C-O 117.144 -1.408 . . . . 0.0 108.211 -169.468 . . . . . . . . 2 2 . 1 . 011 ecloud orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -83.51 -66.33 1.52 Allowed Glycine 1 N--CA 1.393 -4.191 0 CA-C-O 125.814 2.897 . . . . 0.0 115.132 178.812 . . . . . . . . 2 2 . 1 . 011 ecloud orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -71.84 -51.5 22.13 Favored 'General case' 0 N--CA 1.408 -2.554 0 O-C-N 118.277 -2.896 . . . . 0.0 112.272 -178.296 . . . . . . . . 1 1 . 1 . 011 ecloud orig core ' A' A ' 12' ' ' LEU . . . . . 0.63 HD22 ' HB2' ' A' ' 19' ' ' MET . 56.3 mt -88.2 -18.75 28.01 Favored 'General case' 0 C--O 1.201 -1.449 0 O-C-N 117.915 -2.991 . . . . 0.0 118.238 -173.656 . . . . . . . . 2 2 . 1 . 011 ecloud orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -109.92 -54.26 0.56 Allowed Glycine 0 C--N 1.369 2.41 0 O-C-N 119.571 -1.956 . . . . 0.0 110.209 -175.291 . . . . . . . . 1 1 . 1 . 011 ecloud orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.37 -72.21 0.06 Allowed 'General case' 0 C--N 1.366 1.301 0 O-C-N 118.743 -2.622 . . . . 0.0 117.811 172.14 . . . . . . . . 1 1 . 1 . 011 ecloud orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.41 -56.08 11.11 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-N 112.771 -2.013 . . . . 0.0 105.954 -176.564 . . . . . . . . 1 1 . 1 . 011 ecloud orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 103.13 73.17 0.95 Allowed Glycine 0 N--CA 1.405 -3.374 0 O-C-N 118.82 -2.425 . . . . 0.0 112.746 175.609 . . . . . . . . 1 1 . 1 . 011 ecloud orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.56 154.14 20.29 Favored 'General case' 0 CA--C 1.457 -2.61 0 CA-C-O 125.168 2.413 . . . . 0.0 107.511 -177.669 . . . . . . . . 2 2 . 1 . 011 ecloud orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.8 m -70.83 109.53 5.05 Favored 'General case' 0 C--N 1.365 1.245 0 N-CA-C 117.669 2.47 . . . . 0.0 117.669 -165.594 . . . . . . . . 1 1 . 1 . 011 ecloud orig core ' A' A ' 19' ' ' MET . . . . . 0.63 ' HB2' HD22 ' A' ' 12' ' ' LEU . 25.0 ttt -86.14 -57.42 3.03 Favored 'General case' 0 N--CA 1.421 -1.918 0 CA-C-O 124.046 1.879 . . . . 0.0 114.358 -179.051 . . . . . . . . 2 2 . 1 . 011 ecloud orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.486 -1.768 0 CA-C-N 113.904 -1.498 . . . . 0.0 109.919 -154.211 . . . . . . . . 0 0 . 1 . 012 ecloud orig core ' A' A ' 2' ' ' VAL . . . . . 0.447 ' HB ' ' H ' ' A' ' 3' ' ' GLY . 3.8 m . . . . . 0 C--O 1.254 1.333 0 N-CA-C 116.393 1.997 . . . . 0.0 116.393 . . . . . . . . . 1 1 . 1 . 012 ecloud orig core ' A' A ' 3' ' ' GLY . . . . . 0.447 ' H ' ' HB ' ' A' ' 2' ' ' VAL . . . -93.95 72.45 1.2 Allowed Glycine 0 N--CA 1.508 3.483 0 C-N-CA 116.702 -2.666 . . . . 0.0 116.521 -167.935 . . . . . . . . 2 2 . 1 . 012 ecloud orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 25.1 mm -70.81 -64.31 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.425 -1.709 1 C-N-CA 132.373 4.269 . . . . 0.0 114.256 -172.34 . . . . . . . . 2 2 . 1 . 012 ecloud orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -57.21 -38.78 88.09 Favored Glycine 0 C--N 1.398 3.976 0 CA-C-O 126.08 3.045 . . . . 0.0 110.365 179.565 . . . . . . . . 1 1 . 1 . 012 ecloud orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.18 -33.39 73.31 Favored 'General case' 0 N--CA 1.42 -1.944 0 C-N-CA 126.157 1.783 . . . . 0.0 114.848 178.341 . . . . . . . . 1 1 . 1 . 012 ecloud orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.8 tp -71.1 -59.63 2.67 Favored 'General case' 0 N--CA 1.407 -2.597 0 O-C-N 119.289 -2.132 . . . . 0.0 114.442 165.481 . . . . . . . . 1 1 . 1 . 012 ecloud orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -72.17 -60.63 2.14 Favored 'General case' 0 C--O 1.257 1.489 0 O-C-N 119.203 -2.185 . . . . 0.0 110.471 -172.341 . . . . . . . . 1 1 . 1 . 012 ecloud orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.5 mt -70.95 -67.31 0.52 Allowed 'General case' 0 C--O 1.179 -2.623 0 O-C-N 119.001 -2.312 . . . . 0.0 111.464 -177.232 . . . . . . . . 1 1 . 1 . 012 ecloud orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.85 -70.09 0.8 Allowed Glycine 0 C--O 1.277 2.806 0 C-N-CA 127.755 2.597 . . . . 0.0 114.111 -179.692 . . . . . . . . 1 1 . 1 . 012 ecloud orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -75.71 -53.28 8.79 Favored 'General case' 0 C--N 1.382 2.021 1 O-C-N 113.318 -5.813 . . . . 0.0 109.81 -169.949 . . . . . . . . 2 2 . 1 . 012 ecloud orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.3 mt -84.27 -28.07 27.44 Favored 'General case' 0 C--O 1.274 2.35 0 O-C-N 116.868 -3.645 . . . . 0.0 112.617 -166.795 . . . . . . . . 1 1 . 1 . 012 ecloud orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.61 -56.71 1.31 Allowed Glycine 0 C--N 1.349 1.28 0 C-N-CA 127.184 2.326 . . . . 0.0 116.694 -175.924 . . . . . . . . 1 1 . 1 . 012 ecloud orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.38 -54.42 3.81 Favored 'General case' 0 N--CA 1.383 -3.797 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 -165.812 . . . . . . . . 1 1 . 1 . 012 ecloud orig core ' A' A ' 15' ' ' ALA . . . . . 0.462 ' HB3' ' H ' ' A' ' 16' ' ' GLY 0.349 . . -65.27 -71.38 0.19 Allowed 'General case' 0 CA--C 1.559 1.325 0 C-N-CA 118.706 -1.198 . . . . 0.0 110.421 174.273 . . . . . . . . 3 3 . 1 . 012 ecloud orig core ' A' A ' 16' ' ' GLY . . . . . 0.462 ' H ' ' HB3' ' A' ' 15' ' ' ALA . . . 137.32 26.7 0.37 Allowed Glycine 1 C--N 1.402 4.203 0 N-CA-C 120.422 2.929 . . . . 0.0 120.422 176.106 . . . . . . . . 3 3 . 1 . 012 ecloud orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.8 m -62.86 162.69 10.68 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-O 117.379 -1.296 . . . . 0.0 114.25 173.594 . . . . . . . . 1 1 . 1 . 012 ecloud orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.9 m -88.78 128.67 35.64 Favored 'General case' 0 C--N 1.4 2.798 0 CA-C-O 117.556 -1.211 . . . . 0.0 112.228 179.482 . . . . . . . . 1 1 . 1 . 012 ecloud orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 24.2 ttt -83.3 -74.98 0.34 Allowed 'General case' 0 C--N 1.274 -2.711 1 O-C-N 129.485 4.241 . . . . 0.0 111.039 171.165 . . . . . . . . 2 2 . 1 . 012 ecloud orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.509 3.549 0 O-C-N 119.177 -2.202 . . . . 0.0 113.002 -174.332 . . . . . . . . 0 0 . 1 . 013 ecloud orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.215 -0.736 0 CA-C-O 115.744 -2.074 . . . . 0.0 110.153 . . . . . . . . . 1 1 . 1 . 013 ecloud orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -85.98 79.5 1.86 Allowed Glycine 0 CA--C 1.547 2.09 2 C-N-CA 112.441 -4.695 . . . . 0.0 115.198 -175.606 . . . . . . . . 2 2 . 1 . 013 ecloud orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.1 mm -73.9 -64.92 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.478 -1.791 0 C-N-CA 126.584 1.954 . . . . 0.0 107.611 179.241 . . . . . . . . 1 1 . 1 . 013 ecloud orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.38 -39.64 73.59 Favored Glycine 0 CA--C 1.471 -2.69 0 C-N-CA 126.808 2.146 . . . . 0.0 114.312 179.485 . . . . . . . . 1 1 . 1 . 013 ecloud orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.6 -37.91 68.73 Favored 'General case' 0 C--O 1.26 1.655 0 CA-C-O 124.51 2.1 . . . . 0.0 116.372 168.045 . . . . . . . . 1 1 . 1 . 013 ecloud orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.9 tp -82.74 -59.15 2.6 Favored 'General case' 0 C--N 1.392 2.435 0 O-C-N 117.089 -3.507 . . . . 0.0 110.318 179.899 . . . . . . . . 1 1 . 1 . 013 ecloud orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.293 11.0 m-85 -76.06 -36.9 58.83 Favored 'General case' 0 CA--C 1.603 3.009 0 O-C-N 117.407 -3.308 . . . . 0.0 112.552 -170.168 . . . . . . . . 2 2 . 1 . 013 ecloud orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.9 mt -96.52 -48.61 5.47 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-O 117.323 -1.322 . . . . 0.0 108.894 -179.425 . . . . . . . . 1 1 . 1 . 013 ecloud orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.11 -60.76 2.21 Favored Glycine 0 N--CA 1.423 -2.221 0 CA-C-N 123.131 2.696 . . . . 0.0 117.873 -170.815 . . . . . . . . 1 1 . 1 . 013 ecloud orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . 0.305 55.4 t80 -56.85 -60.42 3.59 Favored 'General case' 0 N--CA 1.521 3.085 0 CA-C-N 111.754 -2.223 . . . . 0.0 114.678 176.693 . . . . . . . . 2 2 . 1 . 013 ecloud orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 35.8 mt -79.79 -34.57 39.56 Favored 'General case' 0 CA--C 1.575 1.916 0 C-N-CA 124.695 1.198 . . . . 0.0 112.452 -178.344 . . . . . . . . 1 1 . 1 . 013 ecloud orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.08 -73.07 1.28 Allowed Glycine 0 C--O 1.27 2.348 0 CA-C-O 119.289 -0.728 . . . . 0.0 112.733 -177.274 . . . . . . . . 1 1 . 1 . 013 ecloud orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.66 -62.27 1.45 Allowed 'General case' 0 N--CA 1.419 -2.023 0 C-N-CA 128.352 2.661 . . . . 0.0 111.277 -167.937 . . . . . . . . 1 1 . 1 . 013 ecloud orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.43 -20.93 63.78 Favored 'General case' 0 C--O 1.212 -0.9 0 CA-C-O 115.396 -2.24 . . . . 0.0 113.841 -179.572 . . . . . . . . 1 1 . 1 . 013 ecloud orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.82 34.24 13.75 Favored Glycine 0 CA--C 1.461 -3.299 0 CA-C-N 120.513 1.506 . . . . 0.0 115.361 167.777 . . . . . . . . 1 1 . 1 . 013 ecloud orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.8 m -59.54 132.41 53.89 Favored 'General case' 0 CA--C 1.468 -2.192 0 O-C-N 118.993 -2.474 . . . . 0.0 108.883 167.11 . . . . . . . . 1 1 . 1 . 013 ecloud orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 89.1 m -73.88 110.72 8.39 Favored 'General case' 0 CA--C 1.494 -1.209 0 CA-C-N 113.369 -1.742 . . . . 0.0 110.98 -179.02 . . . . . . . . 1 1 . 1 . 013 ecloud orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 10.9 ttt -75.01 -59.24 2.82 Favored 'General case' 0 C--O 1.267 1.977 1 O-C-N 115.744 -4.347 . . . . 0.0 115.583 -175.367 . . . . . . . . 2 2 . 1 . 013 ecloud orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.105 0 C-N-CA 117.966 -2.064 . . . . 0.0 108.054 -174.938 . . . . . . . . 0 0 . 1 . 014 ecloud orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.0 m . . . . . 0 CA--C 1.489 -1.369 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 . . . . . . . . . 0 0 . 1 . 014 ecloud orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -100.0 84.23 0.59 Allowed Glycine 0 N--CA 1.407 -3.254 0 CA-C-O 117.426 -1.763 . . . . 0.0 112.119 -157.939 . . . . . . . . 1 1 . 1 . 014 ecloud orig core ' A' A ' 4' ' ' ILE . . . . . 0.444 ' H ' HG12 ' A' ' 4' ' ' ILE . 2.8 mm -69.16 -40.94 81.13 Favored 'Isoleucine or valine' 0 C--N 1.38 1.906 0 O-C-N 129.826 3.898 . . . . 0.0 119.75 165.662 . . . . . . . . 2 2 . 1 . 014 ecloud orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.83 -54.26 5.45 Favored Glycine 0 N--CA 1.502 3.09 0 C-N-CA 129.605 3.478 . . . . 0.0 108.744 -173.427 . . . . . . . . 1 1 . 1 . 014 ecloud orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.48 -37.3 72.69 Favored 'General case' 0 CA--C 1.463 -2.396 0 N-CA-C 115.254 1.576 . . . . 0.0 115.254 -175.431 . . . . . . . . 1 1 . 1 . 014 ecloud orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 21.7 tp -78.0 -52.46 8.76 Favored 'General case' 0 C--N 1.399 2.76 0 C-N-CA 126.905 2.082 . . . . 0.0 109.144 -175.894 . . . . . . . . 1 1 . 1 . 014 ecloud orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -86.6 -31.96 20.88 Favored 'General case' 0 N--CA 1.433 -1.297 0 CA-C-O 115.933 -1.984 . . . . 0.0 114.9 -176.448 . . . . . . . . 1 1 . 1 . 014 ecloud orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 67.7 mt -82.89 -49.46 9.63 Favored 'General case' 1 C--N 1.446 4.768 1 CA-C-N 126.954 4.434 . . . . 0.0 105.742 -177.455 . . . . . . . . 3 2 . 1 . 014 ecloud orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -90.37 -55.41 1.95 Allowed Glycine 0 C--N 1.364 2.127 0 C-N-CA 125.237 1.399 . . . . 0.0 112.105 -162.675 . . . . . . . . 1 1 . 1 . 014 ecloud orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -80.4 -59.49 2.68 Favored 'General case' 0 CA--C 1.586 2.36 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.597 -172.553 . . . . . . . . 1 1 . 1 . 014 ecloud orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.0 mt -69.86 -50.35 43.49 Favored 'General case' 0 CA--C 1.575 1.942 0 CA-C-O 122.996 1.379 . . . . 0.0 110.083 172.717 . . . . . . . . 1 1 . 1 . 014 ecloud orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.04 -57.46 4.8 Favored Glycine 0 CA--C 1.576 3.847 1 O-C-N 115.089 -4.757 . . . . 0.0 112.508 -168.032 . . . . . . . . 2 2 . 1 . 014 ecloud orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.32 -51.56 6.49 Favored 'General case' 0 N--CA 1.414 -2.233 0 N-CA-C 116.029 1.862 . . . . 0.0 116.029 -176.164 . . . . . . . . 1 1 . 1 . 014 ecloud orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . 0.384 . . -58.46 -40.01 81.48 Favored 'General case' 0 N--CA 1.428 -1.556 0 N-CA-C 117.352 2.353 . . . . 0.0 117.352 170.238 . . . . . . . . 2 2 . 1 . 014 ecloud orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.14 53.63 2.78 Favored Glycine 1 CA--C 1.45 -4.008 0 O-C-N 118.873 -2.392 . . . . 0.0 116.466 170.052 . . . . . . . . 2 2 . 1 . 014 ecloud orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.1 m -99.27 147.9 24.7 Favored 'General case' 0 CA--C 1.578 2.041 0 CA-C-O 124.881 2.277 . . . . 0.0 108.316 166.389 . . . . . . . . 1 1 . 1 . 014 ecloud orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 88.3 m -63.68 121.08 13.07 Favored 'General case' 0 CA--C 1.583 2.23 0 O-C-N 119.314 -2.116 . . . . 0.0 113.547 -178.447 . . . . . . . . 1 1 . 1 . 014 ecloud orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 7.0 ttp -91.76 -38.17 12.54 Favored 'General case' 0 CA--C 1.496 -1.102 0 CA-C-N 112.382 -2.19 . . . . 0.0 115.338 -176.506 . . . . . . . . 1 1 . 1 . 014 ecloud orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.398 3.987 1 N-CA-C 97.115 -6.394 . . . . 0.0 97.115 170.153 . . . . . . . . 1 1 . 1 . 015 ecloud orig core ' A' A ' 2' ' ' VAL . . . . . 0.467 HG22 ' H ' ' A' ' 2' ' ' VAL . 16.8 m . . . . . 0 CA--C 1.556 1.209 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 . . . . . . . . . 1 1 . 1 . 015 ecloud orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -105.33 67.87 0.26 Allowed Glycine 0 CA--C 1.461 -3.341 0 N-CA-C 118.718 2.247 . . . . 0.0 118.718 -166.778 . . . . . . . . 1 1 . 1 . 015 ecloud orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 38.4 mm -65.17 -50.84 71.84 Favored 'Isoleucine or valine' 0 N--CA 1.387 -3.614 0 CA-C-O 123.585 1.66 . . . . 0.0 114.512 -168.465 . . . . . . . . 1 1 . 1 . 015 ecloud orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -67.94 -42.87 84.63 Favored Glycine 1 N--CA 1.379 -5.107 0 CA-C-N 111.307 -2.679 . . . . 0.0 117.085 170.027 . . . . . . . . 2 2 . 1 . 015 ecloud orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . 0.256 . . -42.26 -45.5 4.19 Favored 'General case' 0 C--N 1.391 2.395 0 N-CA-C 116.688 2.107 . . . . 0.0 116.688 165.122 . . . . . . . . 2 2 . 1 . 015 ecloud orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 45.8 tp -73.01 -61.46 1.8 Allowed 'General case' 0 CA--C 1.476 -1.898 0 C-N-CA 126.993 2.117 . . . . 0.0 110.356 -179.968 . . . . . . . . 1 1 . 1 . 015 ecloud orig core ' A' A ' 8' ' ' PHE . . . . . 0.403 ' HD2' HD12 ' A' ' 12' ' ' LEU . 13.1 m-85 -72.19 -41.22 67.22 Favored 'General case' 0 N--CA 1.397 -3.112 0 N-CA-C 119.6 3.185 . . . . 0.0 119.6 -174.915 . . . . . . . . 2 2 . 1 . 015 ecloud orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 55.6 mt -83.91 -43.73 14.98 Favored 'General case' 0 C--N 1.374 1.665 0 O-C-N 117.859 -3.026 . . . . 0.0 112.988 177.42 . . . . . . . . 1 1 . 1 . 015 ecloud orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -80.08 -47.98 6.75 Favored Glycine 0 C--N 1.352 1.428 0 C-N-CA 126.684 2.088 . . . . 0.0 117.349 -173.719 . . . . . . . . 1 1 . 1 . 015 ecloud orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -86.05 -43.14 13.35 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.645 1.722 . . . . 0.0 109.622 -176.188 . . . . . . . . 1 1 . 1 . 015 ecloud orig core ' A' A ' 12' ' ' LEU . . . . . 0.403 HD12 ' HD2' ' A' ' 8' ' ' PHE . 88.4 mt -91.27 -43.45 9.8 Favored 'General case' 0 N--CA 1.428 -1.574 0 CA-C-O 123.771 1.748 . . . . 0.0 110.251 -170.84 . . . . . . . . 2 2 . 1 . 015 ecloud orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.49 -81.18 0.58 Allowed Glycine 0 CA--C 1.563 3.085 0 O-C-N 118.994 -2.316 . . . . 0.0 116.982 176.013 . . . . . . . . 1 1 . 1 . 015 ecloud orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.02 -57.99 6.43 Favored 'General case' 0 C--N 1.399 2.733 0 C-N-CA 129.554 3.142 . . . . 0.0 114.064 173.633 . . . . . . . . 1 1 . 1 . 015 ecloud orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . 0.335 . . -76.75 -41.82 43.39 Favored 'General case' 0 CA--C 1.577 1.991 0 N-CA-C 116.044 1.868 . . . . 0.0 116.044 -177.361 . . . . . . . . 2 2 . 1 . 015 ecloud orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.76 36.06 4.66 Favored Glycine 0 CA--C 1.458 -3.523 0 CA-C-N 120.321 1.419 . . . . 0.0 114.416 164.913 . . . . . . . . 1 1 . 1 . 015 ecloud orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.9 t -83.74 172.53 12.14 Favored 'General case' 0 CA--C 1.481 -1.709 0 CA-C-N 118.781 1.291 . . . . 0.0 114.289 -175.525 . . . . . . . . 1 1 . 1 . 015 ecloud orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.6 m -67.78 129.05 38.71 Favored 'General case' 0 C--O 1.271 2.201 0 O-C-N 119.627 -1.921 . . . . 0.0 111.346 -177.295 . . . . . . . . 1 1 . 1 . 015 ecloud orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 7.2 ttt -98.21 -84.46 0.39 Allowed 'General case' 0 C--N 1.388 2.278 0 CA-C-O 124.311 2.005 . . . . 0.0 108.932 176.438 . . . . . . . . 1 1 . 1 . 015 ecloud orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.421 -2.36 0 O-C-N 119.045 -2.285 . . . . 0.0 108.087 176.523 . . . . . . . . 0 0 . 1 . 016 ecloud orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.4 m . . . . . 0 C--O 1.209 -1.038 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 . . . . . . . . . 0 0 . 1 . 016 ecloud orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -82.47 66.47 3.9 Favored Glycine 0 N--CA 1.492 2.407 0 O-C-N 117.43 -3.294 . . . . 0.0 115.335 -164.484 . . . . . . . . 1 1 . 1 . 016 ecloud orig core ' A' A ' 4' ' ' ILE . . . . . 0.498 HD13 ' HA ' ' A' ' 4' ' ' ILE . 43.7 mm -59.76 -53.47 48.02 Favored 'Isoleucine or valine' 0 C--O 1.269 2.119 0 CA-C-N 113.309 -1.446 . . . . 0.0 112.937 174.616 . . . . . . . . 2 2 . 1 . 016 ecloud orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.72 -53.71 39.87 Favored Glycine 0 CA--C 1.543 1.83 0 O-C-N 118.318 -2.739 . . . . 0.0 114.521 168.64 . . . . . . . . 1 1 . 1 . 016 ecloud orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . 0.259 . . -35.06 -63.45 0.33 Allowed 'General case' 0 N--CA 1.512 2.626 0 C-N-CA 125.605 1.562 . . . . 0.0 115.161 166.053 . . . . . . . . 2 2 . 1 . 016 ecloud orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 17.3 tp -81.16 -51.16 8.75 Favored 'General case' 0 C--N 1.367 1.344 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 -170.214 . . . . . . . . 1 1 . 1 . 016 ecloud orig core ' A' A ' 8' ' ' PHE . . . . . 0.634 ' HA ' HD12 ' A' ' 12' ' ' LEU . 97.9 m-85 -83.9 -39.99 19.15 Favored 'General case' 0 C--N 1.385 2.147 0 CA-C-N 122.808 2.549 . . . . 0.0 115.681 -169.201 . . . . . . . . 2 2 . 1 . 016 ecloud orig core ' A' A ' 9' ' ' LEU . . . . . 0.411 ' HA ' HD23 ' A' ' 9' ' ' LEU . 96.5 mt -94.1 -37.69 11.48 Favored 'General case' 0 N--CA 1.519 3.019 0 CA-C-O 124.117 1.913 . . . . 0.0 115.732 177.022 . . . . . . . . 2 2 . 1 . 016 ecloud orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.15 -51.51 4.67 Favored Glycine 0 CA--C 1.495 -1.171 0 O-C-N 117.34 -3.35 . . . . 0.0 112.729 -177.693 . . . . . . . . 1 1 . 1 . 016 ecloud orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -86.55 -62.22 1.56 Allowed 'General case' 0 N--CA 1.437 -1.107 0 O-C-N 116.793 -3.769 . . . . 0.0 111.283 -170.049 . . . . . . . . 1 1 . 1 . 016 ecloud orig core ' A' A ' 12' ' ' LEU . . . . . 0.634 HD12 ' HA ' ' A' ' 8' ' ' PHE . 20.2 mt -64.82 -46.98 79.69 Favored 'General case' 0 N--CA 1.503 2.205 0 C-N-CA 127.577 2.351 . . . . 0.0 116.568 172.828 . . . . . . . . 2 2 . 1 . 016 ecloud orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.83 -79.48 0.32 Allowed Glycine 0 C--O 1.173 -3.67 0 CA-C-O 126.651 3.362 . . . . 0.0 116.848 177.345 . . . . . . . . 1 1 . 1 . 016 ecloud orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.62 -66.11 0.59 Allowed 'General case' 0 CA--C 1.573 1.865 0 O-C-N 117.751 -3.206 . . . . 0.0 114.137 -177.102 . . . . . . . . 1 1 . 1 . 016 ecloud orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.88 -50.77 72.21 Favored 'General case' 0 C--N 1.385 2.127 1 O-C-N 115.967 -4.208 . . . . 0.0 113.237 175.654 . . . . . . . . 2 2 . 1 . 016 ecloud orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 109.04 40.97 1.47 Allowed Glycine 0 CA--C 1.47 -2.738 0 O-C-N 117.794 -3.066 . . . . 0.0 111.352 164.965 . . . . . . . . 1 1 . 1 . 016 ecloud orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.0 t -69.98 158.93 34.71 Favored 'General case' 0 CA--C 1.571 1.777 0 O-C-N 119.635 -2.097 . . . . 0.0 113.352 174.916 . . . . . . . . 1 1 . 1 . 016 ecloud orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.3 m -75.69 116.89 16.87 Favored 'General case' 0 C--O 1.219 -0.529 0 C-N-CA 124.208 1.003 . . . . 0.0 112.547 179.997 . . . . . . . . 1 1 . 1 . 016 ecloud orig core ' A' A ' 19' ' ' MET . . . . . 0.411 ' HB2' HD22 ' A' ' 12' ' ' LEU . 13.7 ttt -84.71 -50.76 7.34 Favored 'General case' 0 C--O 1.26 1.644 0 CA-C-O 123.731 1.729 . . . . 0.0 112.783 165.828 . . . . . . . . 2 2 . 1 . 016 ecloud orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.381 3.03 0 C-N-CA 125.719 1.628 . . . . 0.0 111.194 161.723 . . . . . . . . 0 0 . 1 . 017 ecloud orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.6 m . . . . . 0 C--O 1.221 -0.437 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 . . . . . . . . . 0 0 . 1 . 017 ecloud orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -87.78 89.02 1.58 Allowed Glycine 0 N--CA 1.494 2.513 0 O-C-N 118.08 -2.887 . . . . 0.0 112.282 176.25 . . . . . . . . 1 1 . 1 . 017 ecloud orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 39.5 mm -76.75 -42.35 33.64 Favored 'Isoleucine or valine' 0 C--O 1.275 2.439 0 O-C-N 117.801 -3.176 . . . . 0.0 117.112 170.155 . . . . . . . . 1 1 . 1 . 017 ecloud orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -76.79 -30.63 55.77 Favored Glycine 0 CA--C 1.475 -2.442 0 CA-C-O 115.305 -2.942 . . . . 0.0 114.712 173.095 . . . . . . . . 1 1 . 1 . 017 ecloud orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.03 -39.43 92.28 Favored 'General case' 0 C--O 1.208 -1.124 0 CA-C-N 123.006 3.403 . . . . 0.0 112.07 174.022 . . . . . . . . 1 1 . 1 . 017 ecloud orig core ' A' A ' 7' ' ' LEU . . . . . 0.435 ' HA ' HD12 ' A' ' 7' ' ' LEU . 13.4 tp -70.35 -70.7 0.28 Allowed 'General case' 0 C--O 1.188 -2.145 0 O-C-N 125.015 1.447 . . . . 0.0 112.236 175.614 . . . . . . . . 2 2 . 1 . 017 ecloud orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -64.9 -42.24 94.93 Favored 'General case' 0 C--N 1.377 1.785 0 O-C-N 119.433 -2.042 . . . . 0.0 112.247 -166.786 . . . . . . . . 1 1 . 1 . 017 ecloud orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 24.8 mt -98.24 -43.72 6.86 Favored 'General case' 0 N--CA 1.445 -0.694 0 O-C-N 120.66 -1.275 . . . . 0.0 108.814 -164.512 . . . . . . . . 1 1 . 1 . 017 ecloud orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.68 -80.94 0.19 Allowed Glycine 1 N--CA 1.522 4.408 0 C-N-CA 125.418 1.485 . . . . 0.0 112.665 178.611 . . . . . . . . 2 2 . 1 . 017 ecloud orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -73.6 -53.24 10.96 Favored 'General case' 0 CA--C 1.616 3.489 0 C-N-CA 126.387 1.875 . . . . 0.0 109.535 -168.298 . . . . . . . . 1 1 . 1 . 017 ecloud orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 70.6 mt -77.29 -13.17 59.99 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 121.152 1.796 . . . . 0.0 115.759 173.585 . . . . . . . . 1 1 . 1 . 017 ecloud orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -98.89 -82.03 1.64 Allowed Glycine 0 CA--C 1.483 -1.923 0 CA-C-N 120.531 1.514 . . . . 0.0 113.404 176.38 . . . . . . . . 1 1 . 1 . 017 ecloud orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.76 -47.17 61.01 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-O 124.213 1.958 . . . . 0.0 111.913 -161.431 . . . . . . . . 1 1 . 1 . 017 ecloud orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.79 98.87 Favored 'General case' 0 CA--C 1.456 -2.67 0 C-N-CA 128.725 2.81 . . . . 0.0 113.45 168.753 . . . . . . . . 1 1 . 1 . 017 ecloud orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.24 44.62 4.33 Favored Glycine 0 C--N 1.362 1.977 0 CA-C-O 123.866 1.815 . . . . 0.0 111.026 165.225 . . . . . . . . 1 1 . 1 . 017 ecloud orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.4 t -85.51 -179.01 6.83 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 119.377 -2.249 . . . . 0.0 110.105 179.498 . . . . . . . . 1 1 . 1 . 017 ecloud orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.6 m -95.68 120.89 36.73 Favored 'General case' 0 CA--C 1.439 -3.326 0 O-C-N 120.277 -1.514 . . . . 0.0 111.454 -177.723 . . . . . . . . 1 1 . 1 . 017 ecloud orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 17.6 ttt -88.42 -55.78 3.58 Favored 'General case' 0 C--O 1.267 2.012 0 C-N-CA 127.827 2.451 . . . . 0.0 113.948 176.595 . . . . . . . . 1 1 . 1 . 017 ecloud orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.474 -2.49 0 C-N-CA 116.92 -2.562 . . . . 0.0 109.707 -171.149 . . . . . . . . 0 0 . 1 . 018 ecloud orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.1 m . . . . . 0 C--O 1.208 -1.091 0 N-CA-C 105.333 -2.099 . . . . 0.0 105.333 . . . . . . . . . 0 0 . 1 . 018 ecloud orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -86.97 70.9 2.83 Favored Glycine 0 C--N 1.368 2.317 0 CA-C-O 113.986 -3.674 . . . . 0.0 112.901 -171.679 . . . . . . . . 1 1 . 1 . 018 ecloud orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.4 mm -70.79 -54.53 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.193 0 O-C-N 127.663 2.625 . . . . 0.0 107.302 -175.419 . . . . . . . . 1 1 . 1 . 018 ecloud orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -84.19 -24.13 49.1 Favored Glycine 1 C--O 1.165 -4.203 0 O-C-N 120.237 -1.539 . . . . 0.0 110.938 -171.064 . . . . . . . . 2 2 . 1 . 018 ecloud orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.51 -31.54 72.33 Favored 'General case' 1 N--CA 1.366 -4.647 0 O-C-N 119.56 -2.141 . . . . 0.0 114.539 168.1 . . . . . . . . 2 2 . 1 . 018 ecloud orig core ' A' A ' 7' ' ' LEU . . . . . 0.504 HD23 ' CE2' ' A' ' 8' ' ' PHE . 19.1 tp -77.53 -74.68 0.24 Allowed 'General case' 0 N--CA 1.487 1.392 0 CA-C-O 125.432 2.539 . . . . 0.0 110.331 169.299 . . . . . . . . 2 2 . 1 . 018 ecloud orig core ' A' A ' 8' ' ' PHE . . . . . 0.504 ' CE2' HD23 ' A' ' 7' ' ' LEU 0.262 12.0 m-85 -58.06 -39.15 77.76 Favored 'General case' 0 CA--C 1.476 -1.893 0 N-CA-C 119.03 2.974 . . . . 0.0 119.03 -167.064 . . . . . . . . 3 3 . 1 . 018 ecloud orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 43.4 mt -84.72 -65.13 1.04 Allowed 'General case' 0 C--N 1.295 -1.793 0 CA-C-O 124.307 2.003 . . . . 0.0 111.727 172.032 . . . . . . . . 1 1 . 1 . 018 ecloud orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.47 -50.52 49.05 Favored Glycine 0 CA--C 1.464 -3.156 0 CA-C-O 124.929 2.405 . . . . 0.0 114.554 -162.309 . . . . . . . . 1 1 . 1 . 018 ecloud orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -89.23 -60.65 1.89 Allowed 'General case' 0 CA--C 1.503 -0.855 1 O-C-N 116.187 -4.126 . . . . 0.0 111.398 -175.81 . . . . . . . . 2 2 . 1 . 018 ecloud orig core ' A' A ' 12' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' A' ' 12' ' ' LEU 0.296 55.7 mt -56.61 -54.68 43.23 Favored 'General case' 0 C--O 1.193 -1.909 0 C-N-CA 128.035 2.534 . . . . 0.0 110.018 176.697 . . . . . . . . 3 3 . 1 . 018 ecloud orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.66 -71.7 1.16 Allowed Glycine 1 C--N 1.437 6.17 0 O-C-N 119.702 -1.874 . . . . 0.0 116.595 179.851 . . . . . . . . 2 2 . 1 . 018 ecloud orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . 0.312 . . -77.32 -48.03 18.45 Favored 'General case' 0 N--CA 1.429 -1.507 0 CA-C-N 120.854 2.327 . . . . 0.0 111.92 -160.135 . . . . . . . . 2 2 . 1 . 018 ecloud orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.12 -32.69 72.25 Favored 'General case' 0 N--CA 1.511 2.622 0 C-N-CA 117.785 -1.566 . . . . 0.0 111.876 171.358 . . . . . . . . 1 1 . 1 . 018 ecloud orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.2 32.91 5.9 Favored Glycine 0 CA--C 1.469 -2.796 0 O-C-N 119.573 -1.955 . . . . 0.0 111.539 168.926 . . . . . . . . 1 1 . 1 . 018 ecloud orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.2 t -73.94 138.65 44.37 Favored 'General case' 0 C--N 1.373 1.588 1 O-C-N 116.012 -4.228 . . . . 0.0 111.15 178.837 . . . . . . . . 2 2 . 1 . 018 ecloud orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 55.7 m -85.96 134.43 33.87 Favored 'General case' 0 C--O 1.257 1.449 0 O-C-N 118.846 -2.408 . . . . 0.0 109.719 -177.948 . . . . . . . . 1 1 . 1 . 018 ecloud orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 13.2 ttt -80.12 -61.08 2.09 Favored 'General case' 0 CA--C 1.473 -2.01 1 C-N-CA 132.995 4.518 . . . . 0.0 115.461 177.728 . . . . . . . . 2 2 . 1 . 018 ecloud orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 1.863 0 C-N-CA 117.045 -2.503 . . . . 0.0 112.336 156.048 . . . . . . . . 0 0 . 1 . 019 ecloud orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.5 m . . . . . 0 CA--C 1.577 2.015 0 N-CA-C 110.486 -0.19 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 019 ecloud orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.68 67.44 3.16 Favored Glycine 0 C--O 1.294 3.844 0 C-N-CA 125.59 1.566 . . . . 0.0 113.114 -171.462 . . . . . . . . 1 1 . 1 . 019 ecloud orig core ' A' A ' 4' ' ' ILE . . . . . 0.438 HD13 ' HA ' ' A' ' 4' ' ' ILE . 48.8 mm -67.8 -59.25 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 N-CA-C 118.35 2.722 . . . . 0.0 118.35 179.778 . . . . . . . . 2 2 . 1 . 019 ecloud orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -67.15 -33.01 81.82 Favored Glycine 0 N--CA 1.413 -2.862 0 CA-C-N 109.967 -3.288 . . . . 0.0 112.046 175.556 . . . . . . . . 1 1 . 1 . 019 ecloud orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.01 -38.36 75.93 Favored 'General case' 0 N--CA 1.41 -2.433 0 C-N-CA 127.124 2.17 . . . . 0.0 106.031 -175.613 . . . . . . . . 1 1 . 1 . 019 ecloud orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.276 6.9 tp -67.67 -63.32 1.08 Allowed 'General case' 0 C--O 1.198 -1.638 0 O-C-N 117.385 -3.322 . . . . 0.0 111.358 173.201 . . . . . . . . 2 2 . 1 . 019 ecloud orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -66.78 -64.38 0.87 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.38 1.872 . . . . 0.0 113.528 -170.188 . . . . . . . . 1 1 . 1 . 019 ecloud orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 24.4 mt -75.8 -33.77 60.15 Favored 'General case' 0 C--O 1.243 0.731 0 C-N-CA 123.869 0.868 . . . . 0.0 110.665 -172.637 . . . . . . . . 1 1 . 1 . 019 ecloud orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.03 -58.64 1.09 Allowed Glycine 0 C--O 1.191 -2.561 0 N-CA-C 116.808 1.483 . . . . 0.0 116.808 -165.967 . . . . . . . . 1 1 . 1 . 019 ecloud orig core ' A' A ' 11' ' ' PHE . . . . . 0.429 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 2.1 t80 -75.97 -51.77 11.69 Favored 'General case' 0 CA--C 1.491 -1.292 0 C-N-CA 125.024 1.33 . . . . 0.0 113.327 179.681 . . . . . . . . 2 2 . 1 . 019 ecloud orig core ' A' A ' 12' ' ' LEU . . . . . 0.482 HD23 ' HB3' ' A' ' 17' ' ' SER . 50.0 mt -77.18 -59.65 2.69 Favored 'General case' 0 C--N 1.385 2.138 0 C-N-CA 126.859 2.063 . . . . 0.0 108.577 -179.116 . . . . . . . . 2 2 . 1 . 019 ecloud orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.38 -83.52 0.05 OUTLIER Glycine 0 N--CA 1.51 3.582 0 CA-C-O 115.68 -2.733 . . . . 0.0 117.955 173.621 . . . . . . . . 1 1 . 1 . 019 ecloud orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.54 -54.41 28.44 Favored 'General case' 0 C--N 1.293 -1.886 0 CA-C-O 112.119 -3.8 . . . . 0.0 113.092 -173.55 . . . . . . . . 1 1 . 1 . 019 ecloud orig core ' A' A ' 15' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 11' ' ' PHE . . . -60.57 -83.69 0.01 OUTLIER 'General case' 0 C--O 1.21 -1.021 0 CA-C-N 122.896 2.589 . . . . 0.0 111.296 178.118 . . . . . . . . 2 2 . 1 . 019 ecloud orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 138.77 39.93 0.1 Allowed Glycine 0 N--CA 1.417 -2.606 0 C-N-CA 117.576 -2.25 . . . . 0.0 110.255 159.683 . . . . . . . . 1 1 . 1 . 019 ecloud orig core ' A' A ' 17' ' ' SER . . . . . 0.482 ' HB3' HD23 ' A' ' 12' ' ' LEU . 6.3 t -57.47 179.36 0.06 Allowed 'General case' 0 CA--C 1.491 -1.3 0 C-N-CA 131.612 3.965 . . . . 0.0 113.491 169.098 . . . . . . . . 2 2 . 1 . 019 ecloud orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 92.9 m -116.87 123.53 47.26 Favored 'General case' 0 N--CA 1.401 -2.912 0 C-N-CA 129.466 3.106 . . . . 0.0 107.745 -164.38 . . . . . . . . 1 1 . 1 . 019 ecloud orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 29.7 ttp -93.93 -52.82 4.25 Favored 'General case' 0 C--O 1.257 1.476 0 CA-C-O 124.181 1.943 . . . . 0.0 113.459 166.507 . . . . . . . . 1 1 . 1 . 019 ecloud orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.058 0 N-CA-C 103.381 -3.887 . . . . 0.0 103.381 172.111 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 0.268 . . . . . . . 0 N--CA 1.493 1.723 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 17.8 t -112.73 142.37 25.33 Favored 'Isoleucine or valine' 0 CA--C 1.466 -2.287 0 C-N-CA 127.453 2.301 . . . . 0.0 111.961 -164.087 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.38 82.21 0.01 OUTLIER Glycine 0 C--O 1.259 1.718 0 N-CA-C 122.78 3.872 . . . . 0.0 122.78 -162.737 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.3 mm -71.85 -56.77 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 C-N-CA 130.796 3.638 . . . . 0.0 113.211 173.052 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -62.86 -29.15 73.21 Favored Glycine 1 N--CA 1.532 5.045 0 C-N-CA 125.389 1.471 . . . . 0.0 115.011 167.676 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.89 -44.23 27.74 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 120.754 3.613 . . . . 0.0 120.754 174.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 24.1 tp -66.86 -60.61 2.51 Favored 'General case' 0 C--O 1.197 -1.705 0 CA-C-N 122.641 2.473 . . . . 0.0 117.357 174.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -72.34 -64.74 0.89 Allowed 'General case' 0 N--CA 1.506 2.332 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 -178.202 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.9 mt -70.99 -47.08 60.85 Favored 'General case' 0 C--O 1.262 1.74 0 CA-C-O 116.175 -1.869 . . . . 0.0 109.62 -174.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -74.29 -70.22 1.28 Allowed Glycine 0 CA--C 1.56 2.877 0 CA-C-O 117.98 -1.456 . . . . 0.0 112.849 -176.871 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -68.62 -45.97 70.51 Favored 'General case' 0 CA--C 1.495 -1.165 0 N-CA-C 117.957 2.577 . . . . 0.0 117.957 -172.531 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . 0.6 HD23 ' HB3' ' A' ' 17' ' ' SER . 23.8 mt -84.29 -53.7 5.3 Favored 'General case' 0 C--N 1.313 -1.001 0 O-C-N 120.131 -1.605 . . . . 0.0 109.351 176.404 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -54.46 -79.16 0.09 OUTLIER Glycine 0 N--CA 1.472 1.066 1 C-N-CA 133.045 5.117 . . . . 0.0 112.794 179.428 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . 0.267 . . -71.02 -40.25 71.88 Favored 'General case' 0 C--O 1.202 -1.433 1 O-C-N 116.322 -4.046 . . . . 0.0 114.208 -171.832 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.29 -89.98 0.17 Allowed 'General case' 0 N--CA 1.401 -2.895 0 O-C-N 119.666 -1.896 . . . . 0.0 113.317 -178.847 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 150.02 128.19 1.57 Allowed Glycine 0 CA--C 1.56 2.888 0 CA-C-O 125.141 2.523 . . . . 0.0 109.469 -172.832 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' SER . . . . . 0.6 ' HB3' HD23 ' A' ' 12' ' ' LEU . 47.5 t -150.02 164.28 35.94 Favored 'General case' 0 C--O 1.204 -1.337 0 CA-C-N 112.367 -1.917 . . . . 0.0 108.09 160.744 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 86.7 m -89.37 106.38 18.41 Favored 'General case' 0 C--N 1.391 2.389 0 CA-C-O 123.188 1.471 . . . . 0.0 113.031 165.851 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 26.2 ttt -70.96 -50.82 30.31 Favored 'General case' 0 N--CA 1.412 -2.374 0 C-N-CA 127.512 2.325 . . . . 0.0 112.422 168.285 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -172.51 -134.4 1.8 Allowed Glycine 0 C--O 1.272 2.527 0 CA-C-O 124.814 2.341 . . . . 0.0 111.167 177.965 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -172.25 178.95 2.71 Favored 'General case' 0 CA--C 1.482 -1.663 1 C-N-CA 132.423 4.289 . . . . 0.0 106.162 -175.614 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 51.9 mtp180 -103.48 -40.83 6.19 Favored 'General case' 0 N--CA 1.412 -2.352 0 C-N-CA 127.535 2.334 . . . . 0.0 111.704 171.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . 0.328 93.9 p -85.81 -108.56 0.05 Allowed 'General case' 0 CA--C 1.509 -0.634 0 C-N-CA 128.376 2.67 . . . . 0.0 113.871 -177.212 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.888 0 O-C-N 120.113 -1.617 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 ecloud orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.578 5.94 0 CA-C-O 117.371 -1.3 . . . . 0.0 107.967 . . . . . . . . . 1 1 . 1 . 002 ecloud orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 19.2 m -68.5 167.34 1.69 Allowed 'Isoleucine or valine' 0 N--CA 1.508 2.453 0 N-CA-C 121.28 3.808 . . . . 0.0 121.28 178.291 . . . . . . . . 1 1 . 1 . 002 ecloud orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -90.32 69.92 2.26 Favored Glycine 0 C--O 1.188 -2.719 0 C-N-CA 116.408 -2.806 . . . . 0.0 116.474 -171.964 . . . . . . . . 1 1 . 1 . 002 ecloud orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.9 mm -59.15 -58.37 7.24 Favored 'Isoleucine or valine' 0 N--CA 1.401 -2.877 0 C-N-CA 130.856 3.663 . . . . 0.0 112.927 -174.362 . . . . . . . . 1 1 . 1 . 002 ecloud orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -76.13 -17.01 80.28 Favored Glycine 0 C--N 1.363 2.081 0 O-C-N 120.014 -1.679 . . . . 0.0 113.462 179.446 . . . . . . . . 1 1 . 1 . 002 ecloud orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.47 -43.53 98.59 Favored 'General case' 0 C--N 1.36 1.031 0 O-C-N 118.595 -2.709 . . . . 0.0 114.115 169.007 . . . . . . . . 1 1 . 1 . 002 ecloud orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.288 41.5 tp -75.85 -61.99 1.74 Allowed 'General case' 1 N--CA 1.373 -4.29 0 O-C-N 119.386 -2.071 . . . . 0.0 106.984 178.139 . . . . . . . . 3 2 . 1 . 002 ecloud orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.287 27.8 m-85 -68.46 -56.16 9.36 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 116.926 2.195 . . . . 0.0 116.926 -167.136 . . . . . . . . 2 2 . 1 . 002 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.8 mt -78.77 -34.69 45.41 Favored 'General case' 0 C--O 1.188 -2.176 0 CA-C-N 120.455 1.48 . . . . 0.0 113.873 169.064 . . . . . . . . 1 1 . 1 . 002 ecloud orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -79.56 -64.04 1.94 Allowed Glycine 0 N--CA 1.51 3.581 0 N-CA-C 111.411 -0.676 . . . . 0.0 111.411 -169.926 . . . . . . . . 1 1 . 1 . 002 ecloud orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -79.78 -46.69 16.51 Favored 'General case' 0 C--N 1.373 1.602 0 CA-C-O 121.887 0.851 . . . . 0.0 111.744 -172.022 . . . . . . . . 1 1 . 1 . 002 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . 0.51 HD23 ' HA ' ' A' ' 12' ' ' LEU . 64.1 mt -87.7 -44.63 11.03 Favored 'General case' 0 C--N 1.386 2.162 0 C-N-CA 125.52 1.528 . . . . 0.0 112.518 -174.138 . . . . . . . . 2 2 . 1 . 002 ecloud orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.23 -69.67 1.36 Allowed Glycine 0 N--CA 1.47 0.933 0 C-N-CA 119.524 -1.322 . . . . 0.0 114.738 -175.516 . . . . . . . . 1 1 . 1 . 002 ecloud orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.6 -70.77 0.35 Allowed 'General case' 0 CA--C 1.486 -1.487 0 N-CA-C 116.169 1.914 . . . . 0.0 116.169 175.448 . . . . . . . . 1 1 . 1 . 002 ecloud orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.89 -43.93 94.51 Favored 'General case' 0 CA--C 1.568 1.667 1 O-C-N 116.008 -4.183 . . . . 0.0 109.823 -170.998 . . . . . . . . 2 2 . 1 . 002 ecloud orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.14 120.45 4.51 Favored Glycine 0 C--N 1.396 3.895 0 O-C-N 117.867 -3.021 . . . . 0.0 106.613 165.084 . . . . . . . . 1 1 . 1 . 002 ecloud orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.5 t -145.37 -141.56 0.12 Allowed 'General case' 0 C--O 1.243 0.759 0 CA-C-O 114.108 -2.853 . . . . 0.0 109.352 -179.563 . . . . . . . . 1 1 . 1 . 002 ecloud orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 92.9 m -127.66 111.93 14.28 Favored 'General case' 0 C--N 1.285 -2.198 0 CA-C-N 123.132 2.696 . . . . 0.0 109.198 -166.795 . . . . . . . . 1 1 . 1 . 002 ecloud orig full ' A' A ' 19' ' ' MET . . . . . 0.442 ' HB3' ' H ' ' A' ' 20' ' ' GLY . 11.4 ttt -91.25 -100.74 0.11 Allowed 'General case' 0 CA--C 1.559 1.305 0 O-C-N 119.113 -2.242 . . . . 0.0 109.556 179.541 . . . . . . . . 2 2 . 1 . 002 ecloud orig full ' A' A ' 20' ' ' GLY . . . . . 0.442 ' H ' ' HB3' ' A' ' 19' ' ' MET . . . -155.38 -135.08 1.96 Allowed Glycine 0 C--N 1.296 -1.66 0 CA-C-O 115.714 -2.714 . . . . 0.0 113.467 -174.944 . . . . . . . . 2 2 . 1 . 002 ecloud orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -174.76 174.79 2.54 Favored 'General case' 0 C--O 1.185 -2.316 0 CA-C-O 124.787 2.232 . . . . 0.0 106.332 -173.758 . . . . . . . . 1 1 . 1 . 002 ecloud orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -102.08 -47.19 4.63 Favored 'General case' 0 C--N 1.384 2.08 0 O-C-N 118.18 -2.825 . . . . 0.0 107.583 -170.956 . . . . . . . . 1 1 . 1 . 002 ecloud orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.0 p -57.92 -59.75 4.78 Favored 'General case' 0 N--CA 1.401 -2.91 0 N-CA-C 118.119 2.637 . . . . 0.0 118.119 176.659 . . . . . . . . 1 1 . 1 . 002 ecloud orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.385 2.145 0 O-C-N 121.95 -0.469 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 ecloud orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.522 3.169 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 . . . . . . . . . 0 0 . 1 . 003 ecloud orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.8 m -82.61 156.59 3.92 Favored 'Isoleucine or valine' 0 C--N 1.383 2.023 0 CA-C-N 125.025 3.557 . . . . 0.0 113.471 160.766 . . . . . . . . 1 1 . 1 . 003 ecloud orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -84.61 77.17 2.14 Favored Glycine 0 C--O 1.203 -1.821 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 -171.34 . . . . . . . . 1 1 . 1 . 003 ecloud orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 47.4 mm -62.55 -50.11 81.14 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.983 0 C-N-CA 130.071 3.348 . . . . 0.0 108.332 -178.32 . . . . . . . . 1 1 . 1 . 003 ecloud orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -79.84 -35.2 28.75 Favored Glycine 0 C--O 1.173 -3.666 0 O-C-N 119.876 -1.765 . . . . 0.0 109.502 -177.236 . . . . . . . . 1 1 . 1 . 003 ecloud orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.83 -52.25 21.55 Favored 'General case' 0 C--N 1.309 -1.195 0 C-N-CA 128.649 2.78 . . . . 0.0 113.231 -171.751 . . . . . . . . 1 1 . 1 . 003 ecloud orig full ' A' A ' 7' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 7' ' ' LEU . 33.4 tp -68.37 -59.05 3.47 Favored 'General case' 0 N--CA 1.499 2.017 0 CA-C-O 125.651 2.643 . . . . 0.0 114.23 173.548 . . . . . . . . 2 2 . 1 . 003 ecloud orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -76.23 -47.16 24.95 Favored 'General case' 0 C--N 1.373 1.625 1 O-C-N 114.49 -5.131 . . . . 0.0 113.898 -171.381 . . . . . . . . 2 2 . 1 . 003 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 9' ' ' LEU . 27.2 mt -92.23 -36.47 13.23 Favored 'General case' 0 C--O 1.211 -0.955 0 O-C-N 118.79 -2.444 . . . . 0.0 110.265 -173.364 . . . . . . . . 2 2 . 1 . 003 ecloud orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.03 -69.5 1.39 Allowed Glycine 0 C--N 1.373 2.599 0 O-C-N 117.509 -3.245 . . . . 0.0 107.805 -176.622 . . . . . . . . 1 1 . 1 . 003 ecloud orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -80.68 -65.06 1.06 Allowed 'General case' 0 C--O 1.18 -2.56 0 N-CA-C 114.625 1.343 . . . . 0.0 114.625 -175.304 . . . . . . . . 1 1 . 1 . 003 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.6 mt -62.27 -34.02 75.75 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 118.914 -2.366 . . . . 0.0 113.699 -175.235 . . . . . . . . 1 1 . 1 . 003 ecloud orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.71 -75.05 1.2 Allowed Glycine 0 C--O 1.187 -2.84 0 CA-C-O 126.596 3.331 . . . . 0.0 120.213 176.136 . . . . . . . . 1 1 . 1 . 003 ecloud orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.33 -46.48 66.97 Favored 'General case' 0 C--O 1.255 1.364 0 O-C-N 118.17 -2.959 . . . . 0.0 112.504 -171.367 . . . . . . . . 1 1 . 1 . 003 ecloud orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.43 -42.98 11.19 Favored 'General case' 0 C--O 1.189 -2.115 0 N-CA-C 105.873 -1.899 . . . . 0.0 105.873 -173.445 . . . . . . . . 1 1 . 1 . 003 ecloud orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 105.8 140.16 9.96 Favored Glycine 0 C--N 1.368 2.333 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.684 160.848 . . . . . . . . 1 1 . 1 . 003 ecloud orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.9 t -161.38 161.36 30.32 Favored 'General case' 0 N--CA 1.506 2.374 0 CA-C-O 124.208 1.956 . . . . 0.0 109.482 171.881 . . . . . . . . 1 1 . 1 . 003 ecloud orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 88.9 m -66.63 120.55 13.64 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 118.462 -2.649 . . . . 0.0 108.126 167.986 . . . . . . . . 1 1 . 1 . 003 ecloud orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 24.8 ttt -95.03 -41.98 8.86 Favored 'General case' 0 N--CA 1.401 -2.918 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 -179.939 . . . . . . . . 1 1 . 1 . 003 ecloud orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 153.99 -154.51 25.56 Favored Glycine 0 N--CA 1.398 -3.856 0 C-N-CA 125.693 1.616 . . . . 0.0 111.848 179.884 . . . . . . . . 1 1 . 1 . 003 ecloud orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . 0.251 . . -151.7 160.32 43.66 Favored 'General case' 0 CA--C 1.497 -1.074 0 O-C-N 117.602 -3.293 . . . . 0.0 112.269 -178.886 . . . . . . . . 2 2 . 1 . 003 ecloud orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 29.3 mtp180 -65.84 -90.46 0.01 OUTLIER 'General case' 0 C--O 1.273 2.306 0 O-C-N 127.434 2.959 . . . . 0.0 113.379 -178.431 . . . . . . . . 1 1 . 1 . 003 ecloud orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 91.2 p -80.41 -21.1 42.55 Favored 'General case' 0 C--N 1.379 1.868 0 O-C-N 118.614 -2.553 . . . . 0.0 115.921 163.462 . . . . . . . . 1 1 . 1 . 003 ecloud orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.448 0 CA-C-N 112.655 -2.066 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 ecloud orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.106 0 CA-C-O 116.569 -1.681 . . . . 0.0 108.983 . . . . . . . . . 0 0 . 1 . 004 ecloud orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.5 m -100.74 160.13 3.73 Favored 'Isoleucine or valine' 0 C--O 1.285 2.969 0 CA-C-N 120.662 1.574 . . . . 0.0 114.686 -174.445 . . . . . . . . 1 1 . 1 . 004 ecloud orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -81.33 92.44 1.49 Allowed Glycine 0 N--CA 1.441 -0.978 0 O-C-N 127.353 2.908 . . . . 0.0 108.514 174.946 . . . . . . . . 1 1 . 1 . 004 ecloud orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.0 mm -69.44 -32.88 54.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 CA-C-O 122.675 1.226 . . . . 0.0 108.743 -176.145 . . . . . . . . 1 1 . 1 . 004 ecloud orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.2 -55.4 7.04 Favored Glycine 0 CA--C 1.47 -2.734 0 CA-C-N 114.133 -1.394 . . . . 0.0 115.445 177.315 . . . . . . . . 1 1 . 1 . 004 ecloud orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.92 -49.93 75.47 Favored 'General case' 0 C--O 1.196 -1.744 0 O-C-N 118.383 -2.833 . . . . 0.0 114.043 -171.091 . . . . . . . . 1 1 . 1 . 004 ecloud orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 23.0 tp -66.62 -61.88 1.75 Allowed 'General case' 0 C--O 1.258 1.525 0 CA-C-O 118.084 -0.96 . . . . 0.0 110.158 -176.239 . . . . . . . . 1 1 . 1 . 004 ecloud orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -74.83 -60.49 2.26 Favored 'General case' 0 CA--C 1.478 -1.819 0 CA-C-O 115.886 -2.007 . . . . 0.0 111.75 -173.399 . . . . . . . . 1 1 . 1 . 004 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 24.4 mt -73.62 -34.63 65.1 Favored 'General case' 0 C--N 1.28 -2.436 0 N-CA-C 118.434 2.753 . . . . 0.0 118.434 178.241 . . . . . . . . 1 1 . 1 . 004 ecloud orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -79.83 -57.88 2.96 Favored Glycine 0 C--N 1.31 -0.889 0 CA-C-N 114.517 -1.219 . . . . 0.0 114.189 -176.843 . . . . . . . . 1 1 . 1 . 004 ecloud orig full ' A' A ' 11' ' ' PHE . . . . . 0.414 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 20.4 t80 -85.1 -52.37 6.0 Favored 'General case' 0 C--O 1.285 2.95 0 O-C-N 119.845 -1.973 . . . . 0.0 109.882 -169.523 . . . . . . . . 2 2 . 1 . 004 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.7 mt -83.97 -26.45 29.23 Favored 'General case' 0 CA--C 1.475 -1.942 0 CA-C-O 122.869 1.319 . . . . 0.0 112.618 -172.455 . . . . . . . . 1 1 . 1 . 004 ecloud orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -90.69 -60.55 1.35 Allowed Glycine 0 N--CA 1.413 -2.872 1 N-CA-C 123.749 4.26 . . . . 0.0 123.749 175.046 . . . . . . . . 2 2 . 1 . 004 ecloud orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.82 -52.98 11.3 Favored 'General case' 0 C--O 1.275 2.423 0 O-C-N 119.67 -2.077 . . . . 0.0 111.723 179.703 . . . . . . . . 1 1 . 1 . 004 ecloud orig full ' A' A ' 15' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 11' ' ' PHE . . . -65.32 -58.56 5.61 Favored 'General case' 0 C--N 1.357 0.919 0 O-C-N 118.168 -2.832 . . . . 0.0 112.233 -177.361 . . . . . . . . 2 2 . 1 . 004 ecloud orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 117.97 45.34 0.5 Allowed Glycine 0 N--CA 1.404 -3.444 0 CA-C-O 115.838 -2.645 . . . . 0.0 118.619 175.162 . . . . . . . . 1 1 . 1 . 004 ecloud orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.5 t -77.43 -172.17 2.4 Favored 'General case' 0 C--O 1.268 2.034 0 C-N-CA 112.814 -3.554 . . . . 0.0 116.819 175.925 . . . . . . . . 1 1 . 1 . 004 ecloud orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.2 m -111.0 90.26 3.28 Favored 'General case' 0 C--N 1.377 1.778 0 C-N-CA 125.556 1.542 . . . . 0.0 108.938 -168.084 . . . . . . . . 1 1 . 1 . 004 ecloud orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.7 ttp -78.03 -48.55 15.89 Favored 'General case' 0 C--N 1.364 1.206 0 O-C-N 119.19 -2.194 . . . . 0.0 106.786 173.254 . . . . . . . . 1 1 . 1 . 004 ecloud orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 142.99 -149.69 21.58 Favored Glycine 0 N--CA 1.494 2.532 0 CA-C-O 125.177 2.543 . . . . 0.0 112.003 155.958 . . . . . . . . 1 1 . 1 . 004 ecloud orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.65 167.67 14.21 Favored 'General case' 0 C--O 1.259 1.584 0 O-C-N 118.008 -3.054 . . . . 0.0 116.641 -173.464 . . . . . . . . 1 1 . 1 . 004 ecloud orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.1 mtp180 -65.07 -57.19 9.26 Favored 'General case' 0 C--N 1.38 1.92 0 CA-C-N 110.155 -3.202 . . . . 0.0 117.186 -179.777 . . . . . . . . 1 1 . 1 . 004 ecloud orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.5 p -87.78 -75.94 0.4 Allowed 'General case' 0 C--N 1.392 2.438 1 CA-C-N 107.629 -4.35 . . . . 0.0 108.692 -177.963 . . . . . . . . 2 2 . 1 . 004 ecloud orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.185 1 O-C-N 115.374 -4.579 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 ecloud orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.776 0 CA-C-O 122.318 1.056 . . . . 0.0 112.19 . . . . . . . . . 0 0 . 1 . 005 ecloud orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.7 m -125.96 158.18 35.4 Favored 'Isoleucine or valine' 0 C--O 1.269 2.124 0 CA-C-O 123.979 1.847 . . . . 0.0 106.268 178.223 . . . . . . . . 1 1 . 1 . 005 ecloud orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -77.96 100.11 1.58 Allowed Glycine 0 CA--C 1.542 1.77 0 N-CA-C 119.468 2.547 . . . . 0.0 119.468 159.303 . . . . . . . . 1 1 . 1 . 005 ecloud orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 50.5 mm -79.73 -50.69 17.53 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.379 0 O-C-N 118.996 -2.473 . . . . 0.0 113.72 177.782 . . . . . . . . 1 1 . 1 . 005 ecloud orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -76.58 -33.58 47.11 Favored Glycine 0 N--CA 1.477 1.384 0 O-C-N 117.055 -3.528 . . . . 0.0 109.222 177.594 . . . . . . . . 1 1 . 1 . 005 ecloud orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.98 -33.27 62.32 Favored 'General case' 0 N--CA 1.409 -2.489 0 C-N-CA 131.058 3.743 . . . . 0.0 117.138 166.656 . . . . . . . . 1 1 . 1 . 005 ecloud orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.5 tp -71.17 -66.71 0.58 Allowed 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 126.708 2.003 . . . . 0.0 110.612 166.668 . . . . . . . . 1 1 . 1 . 005 ecloud orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.286 40.9 m-85 -61.27 -56.79 16.5 Favored 'General case' 0 N--CA 1.427 -1.588 0 N-CA-C 117.954 2.576 . . . . 0.0 117.954 -167.951 . . . . . . . . 2 2 . 1 . 005 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.8 mt -94.25 -36.01 12.19 Favored 'General case' 0 N--CA 1.412 -2.331 0 CA-C-N 110.507 -3.042 . . . . 0.0 107.68 -169.381 . . . . . . . . 1 1 . 1 . 005 ecloud orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.15 -59.3 2.44 Favored Glycine 0 C--N 1.385 3.27 0 O-C-N 127.546 3.029 . . . . 0.0 111.859 -177.828 . . . . . . . . 1 1 . 1 . 005 ecloud orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -83.34 -43.06 16.37 Favored 'General case' 0 CA--C 1.498 -1.04 0 O-C-N 119.409 -2.23 . . . . 0.0 113.268 -172.917 . . . . . . . . 1 1 . 1 . 005 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.5 mt -81.74 -39.26 24.46 Favored 'General case' 0 C--N 1.363 1.19 0 N-CA-C 116.791 2.145 . . . . 0.0 116.791 -179.585 . . . . . . . . 1 1 . 1 . 005 ecloud orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.66 -82.78 0.46 Allowed Glycine 0 N--CA 1.425 -2.06 0 C-N-CA 129.159 3.266 . . . . 0.0 113.833 175.821 . . . . . . . . 1 1 . 1 . 005 ecloud orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . 0.304 . . -50.13 -60.08 3.3 Favored 'General case' 1 N--CA 1.377 -4.084 1 C-N-CA 132.818 4.447 . . . . 0.0 111.25 -172.483 . . . . . . . . 4 2 . 1 . 005 ecloud orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.83 -68.75 0.51 Allowed 'General case' 0 C--N 1.376 1.722 0 CA-C-N 111.796 -2.457 . . . . 0.0 114.983 -177.528 . . . . . . . . 1 1 . 1 . 005 ecloud orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 132.07 53.6 0.09 OUTLIER Glycine 0 C--N 1.387 3.391 1 O-C-N 114.717 -4.989 . . . . 0.0 113.807 159.596 . . . . . . . . 2 2 . 1 . 005 ecloud orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.8 t -91.45 144.9 25.09 Favored 'General case' 0 C--N 1.38 1.914 0 C-N-CA 118.276 -1.369 . . . . 0.0 110.631 162.682 . . . . . . . . 1 1 . 1 . 005 ecloud orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 63.5 m -73.08 126.58 30.34 Favored 'General case' 0 N--CA 1.509 2.492 0 N-CA-C 106.599 -1.63 . . . . 0.0 106.599 -179.445 . . . . . . . . 1 1 . 1 . 005 ecloud orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 25.7 ttt -84.72 -52.48 6.04 Favored 'General case' 0 CA--C 1.486 -1.506 0 C-N-CA 126.061 1.744 . . . . 0.0 114.165 159.827 . . . . . . . . 1 1 . 1 . 005 ecloud orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -177.08 -174.76 43.79 Favored Glycine 0 C--N 1.373 2.617 0 O-C-N 119.696 -1.878 . . . . 0.0 111.406 176.985 . . . . . . . . 1 1 . 1 . 005 ecloud orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.1 -173.57 4.54 Favored 'General case' 0 CA--C 1.48 -1.745 0 CA-C-O 115.378 -2.249 . . . . 0.0 112.899 176.576 . . . . . . . . 1 1 . 1 . 005 ecloud orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.5 mtp180 -97.21 -82.71 0.4 Allowed 'General case' 0 C--N 1.364 1.227 0 N-CA-C 121.187 3.773 . . . . 0.0 121.187 167.093 . . . . . . . . 1 1 . 1 . 005 ecloud orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.7 p -87.89 -75.66 0.41 Allowed 'General case' 0 N--CA 1.501 2.102 0 CA-C-O 123.467 1.603 . . . . 0.0 109.897 -178.555 . . . . . . . . 1 1 . 1 . 005 ecloud orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.369 1.451 0 O-C-N 120.615 -1.303 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 ecloud orig full ' A' A ' 1' ' ' ALA . . . . . 0.419 ' HB1' ' H ' ' A' ' 2' ' ' VAL . . . . . . . . 0 CA--C 1.452 -2.82 0 CA-C-O 124.536 2.112 . . . . 0.0 107.497 . . . . . . . . . 1 1 . 1 . 006 ecloud orig full ' A' A ' 2' ' ' VAL . . . . . 0.419 ' H ' ' HB1' ' A' ' 1' ' ' ALA . 8.0 m -93.68 135.23 28.79 Favored 'Isoleucine or valine' 0 CA--C 1.476 -1.902 0 C-N-CA 127.751 2.42 . . . . 0.0 107.208 173.071 . . . . . . . . 2 2 . 1 . 006 ecloud orig full ' A' A ' 3' ' ' GLY . . . . . 0.406 ' O ' ' HB3' ' A' ' 6' ' ' ALA . . . -75.04 93.04 0.85 Allowed Glycine 0 C--N 1.35 1.346 0 O-C-N 119.267 -2.146 . . . . 0.0 117.902 172.522 . . . . . . . . 2 2 . 1 . 006 ecloud orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 16.3 mm -53.92 -63.24 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.285 -2.196 0 CA-C-O 115.076 -2.392 . . . . 0.0 116.655 172.089 . . . . . . . . 1 1 . 1 . 006 ecloud orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -62.34 -40.07 98.57 Favored Glycine 0 C--N 1.358 1.784 0 CA-C-O 127.452 3.807 . . . . 0.0 116.089 171.856 . . . . . . . . 1 1 . 1 . 006 ecloud orig full ' A' A ' 6' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 3' ' ' GLY . . . -41.39 -48.45 3.74 Favored 'General case' 0 C--N 1.375 1.702 0 O-C-N 116.828 -3.748 . . . . 0.0 116.818 169.014 . . . . . . . . 2 2 . 1 . 006 ecloud orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.331 25.9 tp -84.86 -53.11 5.55 Favored 'General case' 0 CA--C 1.593 2.613 0 CA-C-O 121.7 0.762 . . . . 0.0 110.716 177.151 . . . . . . . . 2 2 . 1 . 006 ecloud orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -70.12 -46.48 64.71 Favored 'General case' 0 N--CA 1.422 -1.874 0 O-C-N 119.628 -1.92 . . . . 0.0 113.293 -168.363 . . . . . . . . 1 1 . 1 . 006 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.7 mt -82.89 -50.14 8.92 Favored 'General case' 0 C--N 1.39 2.331 0 C-N-CA 128.802 2.841 . . . . 0.0 114.932 178.175 . . . . . . . . 1 1 . 1 . 006 ecloud orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.66 -70.55 0.93 Allowed Glycine 1 C--N 1.404 4.345 0 C-N-CA 127.856 2.646 . . . . 0.0 114.676 171.372 . . . . . . . . 2 2 . 1 . 006 ecloud orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -84.65 -53.49 5.35 Favored 'General case' 0 CA--C 1.5 -0.947 0 N-CA-C 120.099 3.37 . . . . 0.0 120.099 -165.65 . . . . . . . . 1 1 . 1 . 006 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.8 mt -70.79 -56.08 7.14 Favored 'General case' 0 N--CA 1.408 -2.529 0 CA-C-O 124.32 2.01 . . . . 0.0 110.261 172.293 . . . . . . . . 1 1 . 1 . 006 ecloud orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.0 -88.76 0.02 OUTLIER Glycine 0 CA--C 1.558 2.746 1 O-C-N 115.328 -4.607 . . . . 0.0 116.192 171.288 . . . . . . . . 2 2 . 1 . 006 ecloud orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.74 -59.05 5.06 Favored 'General case' 0 CA--C 1.582 2.185 0 CA-C-N 119.03 1.415 . . . . 0.0 113.949 -166.203 . . . . . . . . 1 1 . 1 . 006 ecloud orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.28 -60.66 2.95 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 116.712 2.115 . . . . 0.0 116.712 170.617 . . . . . . . . 1 1 . 1 . 006 ecloud orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.5 46.45 1.67 Allowed Glycine 0 C--N 1.391 3.629 0 N-CA-C 117.536 1.774 . . . . 0.0 117.536 171.955 . . . . . . . . 1 1 . 1 . 006 ecloud orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.8 t -77.61 170.22 16.94 Favored 'General case' 0 CA--C 1.571 1.776 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 159.641 . . . . . . . . 1 1 . 1 . 006 ecloud orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.2 m -99.44 138.31 36.71 Favored 'General case' 0 C--O 1.249 1.063 0 CA-C-O 125.615 2.626 . . . . 0.0 111.121 -167.624 . . . . . . . . 1 1 . 1 . 006 ecloud orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 7.7 ttt -95.59 -64.87 1.02 Allowed 'General case' 0 C--O 1.212 -0.882 0 CA-C-N 113.005 -1.907 . . . . 0.0 109.633 176.349 . . . . . . . . 1 1 . 1 . 006 ecloud orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 178.94 -176.33 47.9 Favored Glycine 0 C--N 1.284 -2.31 1 C-N-CA 131.373 4.32 . . . . 0.0 112.39 -168.912 . . . . . . . . 2 2 . 1 . 006 ecloud orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -161.35 160.41 29.56 Favored 'General case' 0 C--N 1.369 1.441 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 -179.794 . . . . . . . . 1 1 . 1 . 006 ecloud orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 -78.04 -79.87 0.12 Allowed 'General case' 0 N--CA 1.502 2.15 0 C-N-CA 128.863 2.865 . . . . 0.0 111.133 178.267 . . . . . . . . 1 1 . 1 . 006 ecloud orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . 0.322 76.6 p -83.11 -56.2 3.92 Favored 'General case' 0 CA--C 1.605 3.088 0 CA-C-O 115.02 -2.419 . . . . 0.0 108.672 178.277 . . . . . . . . 2 2 . 1 . 006 ecloud orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 0.474 1 O-C-N 129.343 4.152 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 ecloud orig full ' A' A ' 1' ' ' ALA . . . . . 0.473 ' HB1' ' H ' ' A' ' 2' ' ' VAL 0.35 . . . . . . . 0 N--CA 1.488 1.461 0 N-CA-C 117.305 2.335 . . . . 0.0 117.305 . . . . . . . . . 2 2 . 1 . 007 ecloud orig full ' A' A ' 2' ' ' VAL . . . . . 0.473 ' H ' ' HB1' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -121.43 176.77 3.89 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.225 0 CA-C-O 124.448 2.07 . . . . 0.0 113.627 173.03 . . . . . . . . 3 3 . 1 . 007 ecloud orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -95.56 82.94 0.86 Allowed Glycine 0 CA--C 1.462 -3.244 0 C-N-CA 127.584 2.516 . . . . 0.0 117.45 165.665 . . . . . . . . 1 1 . 1 . 007 ecloud orig full ' A' A ' 4' ' ' ILE . . . . . 0.431 HD11 HG23 ' A' ' 2' ' ' VAL . 3.0 mm -59.98 -62.18 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 129.411 3.084 . . . . 0.0 110.451 174.333 . . . . . . . . 2 2 . 1 . 007 ecloud orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.0 -30.26 68.03 Favored Glycine 0 CA--C 1.463 -3.179 0 C-N-CA 116.492 -2.766 . . . . 0.0 112.126 -173.306 . . . . . . . . 1 1 . 1 . 007 ecloud orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.43 -37.05 82.11 Favored 'General case' 0 C--N 1.367 1.358 1 CA-C-O 129.145 4.307 . . . . 0.0 110.701 -175.529 . . . . . . . . 2 2 . 1 . 007 ecloud orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 52.2 tp -81.09 -71.32 0.48 Allowed 'General case' 0 C--N 1.368 1.409 0 O-C-N 118.225 -2.797 . . . . 0.0 108.495 178.297 . . . . . . . . 1 1 . 1 . 007 ecloud orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -67.71 -48.46 66.46 Favored 'General case' 0 N--CA 1.534 3.734 0 O-C-N 118.255 -2.778 . . . . 0.0 110.486 -168.826 . . . . . . . . 1 1 . 1 . 007 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.7 mt -90.58 -31.73 16.58 Favored 'General case' 0 N--CA 1.398 -3.044 1 O-C-N 113.114 -5.991 . . . . 0.0 109.511 -173.072 . . . . . . . . 2 2 . 1 . 007 ecloud orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.81 -74.15 1.28 Allowed Glycine 0 C--N 1.38 3.005 0 CA-C-N 118.676 0.671 . . . . 0.0 113.844 173.965 . . . . . . . . 1 1 . 1 . 007 ecloud orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -74.64 -39.18 62.24 Favored 'General case' 0 CA--C 1.577 1.986 0 O-C-N 117.577 -3.307 . . . . 0.0 107.106 -157.162 . . . . . . . . 1 1 . 1 . 007 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.3 mt -83.76 -47.18 11.43 Favored 'General case' 0 N--CA 1.408 -2.534 0 CA-C-N 114.109 -1.405 . . . . 0.0 112.064 -178.413 . . . . . . . . 1 1 . 1 . 007 ecloud orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.37 -84.91 0.1 OUTLIER Glycine 1 CA--C 1.437 -4.842 0 CA-C-O 126.917 3.509 . . . . 0.0 115.247 -176.67 . . . . . . . . 2 2 . 1 . 007 ecloud orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.06 -32.78 44.94 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 117.407 -3.408 . . . . 0.0 112.338 -169.161 . . . . . . . . 1 1 . 1 . 007 ecloud orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.37 -66.68 0.59 Allowed 'General case' 0 C--O 1.195 -1.795 0 CA-C-O 123.561 1.648 . . . . 0.0 113.18 175.477 . . . . . . . . 1 1 . 1 . 007 ecloud orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.76 47.85 0.24 Allowed Glycine 0 C--N 1.38 3.007 0 O-C-N 117.17 -3.457 . . . . 0.0 112.162 161.382 . . . . . . . . 1 1 . 1 . 007 ecloud orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.8 m -84.96 153.7 22.63 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 113.803 -3.159 . . . . 0.0 106.569 174.634 . . . . . . . . 1 1 . 1 . 007 ecloud orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . 0.264 62.6 m -60.04 122.28 13.95 Favored 'General case' 0 N--CA 1.416 -2.16 0 O-C-N 117.46 -3.275 . . . . 0.0 114.344 -178.11 . . . . . . . . 2 2 . 1 . 007 ecloud orig full ' A' A ' 19' ' ' MET . . . . . 0.444 ' HB3' ' H ' ' A' ' 20' ' ' GLY . 6.0 ttt -103.44 -95.36 0.31 Allowed 'General case' 0 CA--C 1.459 -2.525 0 C-N-CA 126.435 1.894 . . . . 0.0 108.477 -174.164 . . . . . . . . 2 2 . 1 . 007 ecloud orig full ' A' A ' 20' ' ' GLY . . . . . 0.444 ' H ' ' HB3' ' A' ' 19' ' ' MET . . . -144.57 117.27 1.02 Allowed Glycine 0 C--O 1.187 -2.819 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 173.155 . . . . . . . . 2 2 . 1 . 007 ecloud orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.07 158.05 15.77 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-N 121.352 2.576 . . . . 0.0 106.702 179.381 . . . . . . . . 1 1 . 1 . 007 ecloud orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -83.95 -96.63 0.06 Allowed 'General case' 0 N--CA 1.497 1.909 0 O-C-N 126.333 2.27 . . . . 0.0 112.359 178.341 . . . . . . . . 1 1 . 1 . 007 ecloud orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . 0.251 29.5 p -65.28 -22.81 66.89 Favored 'General case' 0 C--N 1.39 2.339 0 N-CA-C 118.902 2.927 . . . . 0.0 118.902 -179.387 . . . . . . . . 2 2 . 1 . 007 ecloud orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 113.617 -1.628 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 ecloud orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.411 -2.392 0 N-CA-C 115.677 1.732 . . . . 0.0 115.677 . . . . . . . . . 0 0 . 1 . 008 ecloud orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.9 m -135.86 164.42 32.28 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.974 0 O-C-N 118.44 -2.663 . . . . 0.0 110.409 178.729 . . . . . . . . 1 1 . 1 . 008 ecloud orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.88 77.66 1.77 Allowed Glycine 0 N--CA 1.486 1.989 0 C-N-CA 127.028 2.251 . . . . 0.0 112.462 -169.177 . . . . . . . . 1 1 . 1 . 008 ecloud orig full ' A' A ' 4' ' ' ILE . . . . . 0.54 ' HA ' HD13 ' A' ' 4' ' ' ILE . 36.8 mm -63.55 -54.2 35.43 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.339 0 O-C-N 118.037 -3.037 . . . . 0.0 107.495 179.963 . . . . . . . . 2 2 . 1 . 008 ecloud orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.11 -34.88 50.93 Favored Glycine 0 C--N 1.394 3.782 0 CA-C-O 117.758 -1.579 . . . . 0.0 112.035 -178.652 . . . . . . . . 1 1 . 1 . 008 ecloud orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -46.78 -39.23 11.4 Favored 'General case' 0 CA--C 1.594 2.669 0 CA-C-N 119.778 1.789 . . . . 0.0 115.6 162.83 . . . . . . . . 1 1 . 1 . 008 ecloud orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 19.7 tp -78.12 -58.32 3.32 Favored 'General case' 0 N--CA 1.404 -2.762 0 CA-C-O 124.312 2.006 . . . . 0.0 109.846 177.908 . . . . . . . . 1 1 . 1 . 008 ecloud orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.288 15.2 m-85 -65.29 -59.22 4.29 Favored 'General case' 0 CA--C 1.552 1.056 0 O-C-N 117.39 -3.319 . . . . 0.0 111.439 -168.557 . . . . . . . . 2 2 . 1 . 008 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 84.5 mt -79.46 -39.99 30.91 Favored 'General case' 0 N--CA 1.439 -1.022 1 O-C-N 115.477 -4.514 . . . . 0.0 114.141 -179.165 . . . . . . . . 2 2 . 1 . 008 ecloud orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.68 -72.94 1.02 Allowed Glycine 1 C--N 1.418 5.121 0 N-CA-C 117.389 1.716 . . . . 0.0 117.389 179.855 . . . . . . . . 2 2 . 1 . 008 ecloud orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -71.9 -51.48 22.03 Favored 'General case' 0 C--N 1.362 1.143 0 C-N-CA 127.153 2.181 . . . . 0.0 109.001 -165.495 . . . . . . . . 1 1 . 1 . 008 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . 0.727 HD22 ' HB2' ' A' ' 19' ' ' MET . 78.2 mt -57.9 -81.92 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.745 0 O-C-N 119.632 -1.917 . . . . 0.0 114.871 166.006 . . . . . . . . 2 2 . 1 . 008 ecloud orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -43.38 -65.27 1.54 Allowed Glycine 0 C--N 1.387 3.368 1 N-CA-C 123.748 4.259 . . . . 0.0 123.748 178.354 . . . . . . . . 2 2 . 1 . 008 ecloud orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.78 -57.06 4.68 Favored 'General case' 0 C--N 1.364 1.203 0 O-C-N 116.809 -3.759 . . . . 0.0 115.181 178.501 . . . . . . . . 1 1 . 1 . 008 ecloud orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . 0.267 . . -62.66 -88.43 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.513 0 O-C-N 120.444 -1.41 . . . . 0.0 113.693 -178.624 . . . . . . . . 2 2 . 1 . 008 ecloud orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 165.78 -2.03 0.05 OUTLIER Glycine 0 C--O 1.203 -1.831 1 C-N-CA 112.796 -4.526 . . . . 0.0 113.302 -162.523 . . . . . . . . 2 2 . 1 . 008 ecloud orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.9 m -81.03 126.19 31.11 Favored 'General case' 0 C--O 1.167 -3.289 0 CA-C-N 118.431 1.116 . . . . 0.0 113.501 -171.551 . . . . . . . . 1 1 . 1 . 008 ecloud orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 85.2 m -60.17 117.61 5.35 Favored 'General case' 0 C--O 1.268 2.057 0 N-CA-C 115.871 1.804 . . . . 0.0 115.871 -178.704 . . . . . . . . 1 1 . 1 . 008 ecloud orig full ' A' A ' 19' ' ' MET . . . . . 0.727 ' HB2' HD22 ' A' ' 12' ' ' LEU . 40.5 ttp -84.62 -47.34 10.62 Favored 'General case' 0 C--O 1.244 0.764 0 O-C-N 119.104 -2.248 . . . . 0.0 108.754 163.367 . . . . . . . . 2 2 . 1 . 008 ecloud orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -160.71 168.64 36.2 Favored Glycine 0 C--O 1.265 2.053 0 CA-C-O 114.573 -3.349 . . . . 0.0 113.634 170.743 . . . . . . . . 1 1 . 1 . 008 ecloud orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.67 161.45 29.64 Favored 'General case' 0 CA--C 1.493 -1.222 0 CA-C-O 125.109 2.385 . . . . 0.0 106.265 173.176 . . . . . . . . 1 1 . 1 . 008 ecloud orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.291 35.8 mtp180 -94.7 -137.81 0.22 Allowed 'General case' 0 CA--C 1.582 2.183 0 CA-C-N 111.894 -2.412 . . . . 0.0 113.838 173.31 . . . . . . . . 2 2 . 1 . 008 ecloud orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 88.3 p -68.27 -41.0 81.71 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 -170.669 . . . . . . . . 1 1 . 1 . 008 ecloud orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.366 1.309 0 O-C-N 121.457 -0.777 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 ecloud orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.518 2.974 0 CA-C-O 118.621 -0.705 . . . . 0.0 112.722 . . . . . . . . . 0 0 . 1 . 009 ecloud orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.2 m -94.28 -177.82 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.391 2.398 0 C-N-CA 127.198 2.199 . . . . 0.0 115.393 176.414 . . . . . . . . 1 1 . 1 . 009 ecloud orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -97.99 86.57 0.8 Allowed Glycine 0 C--N 1.365 2.192 0 CA-C-O 125.457 2.698 . . . . 0.0 116.245 -175.021 . . . . . . . . 1 1 . 1 . 009 ecloud orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . 0.348 6.7 mm -62.83 -36.59 76.17 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.075 0 O-C-N 120.258 -1.73 . . . . 0.0 115.395 -176.155 . . . . . . . . 2 2 . 1 . 009 ecloud orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -82.36 -31.41 30.94 Favored Glycine 0 CA--C 1.454 -3.778 0 CA-C-N 112.414 -2.175 . . . . 0.0 116.054 177.036 . . . . . . . . 1 1 . 1 . 009 ecloud orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . 0.257 . . -60.41 -31.99 70.91 Favored 'General case' 0 C--O 1.197 -1.674 0 N-CA-C 117.958 2.577 . . . . 0.0 117.958 161.547 . . . . . . . . 2 2 . 1 . 009 ecloud orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 27.8 tp -73.33 -73.5 0.21 Allowed 'General case' 0 C--N 1.361 1.096 0 CA-C-O 124.423 2.059 . . . . 0.0 107.801 173.295 . . . . . . . . 1 1 . 1 . 009 ecloud orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -64.42 -62.11 1.8 Allowed 'General case' 0 C--N 1.408 3.132 0 N-CA-C 117.731 2.493 . . . . 0.0 117.731 -169.024 . . . . . . . . 1 1 . 1 . 009 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 43.2 mt -77.17 -33.13 56.57 Favored 'General case' 0 C--N 1.364 1.206 0 N-CA-C 117.356 2.354 . . . . 0.0 117.356 -176.607 . . . . . . . . 1 1 . 1 . 009 ecloud orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.27 -74.97 1.24 Allowed Glycine 1 N--CA 1.378 -5.229 0 O-C-N 126.287 2.242 . . . . 0.0 117.017 175.446 . . . . . . . . 2 2 . 1 . 009 ecloud orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -58.22 -48.98 78.67 Favored 'General case' 0 N--CA 1.498 1.942 0 CA-C-N 122.59 3.195 . . . . 0.0 113.88 -178.5 . . . . . . . . 1 1 . 1 . 009 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.4 mt -84.57 -65.66 0.98 Allowed 'General case' 0 C--N 1.398 2.687 0 N-CA-C 104.972 -2.232 . . . . 0.0 104.972 -174.141 . . . . . . . . 1 1 . 1 . 009 ecloud orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.8 -66.81 2.57 Favored Glycine 0 CA--C 1.556 2.645 1 N-CA-C 126.607 5.403 . . . . 0.0 126.607 -176.042 . . . . . . . . 2 2 . 1 . 009 ecloud orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.26 -44.66 16.03 Favored 'General case' 0 CA--C 1.576 1.97 0 O-C-N 119.556 -2.143 . . . . 0.0 111.077 -175.379 . . . . . . . . 1 1 . 1 . 009 ecloud orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.33 -50.34 22.59 Favored 'General case' 0 N--CA 1.393 -3.3 0 CA-C-O 122.861 1.315 . . . . 0.0 111.215 -174.787 . . . . . . . . 1 1 . 1 . 009 ecloud orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 111.04 50.13 0.64 Allowed Glycine 0 CA--C 1.464 -3.105 0 O-C-N 118.307 -2.746 . . . . 0.0 115.751 166.862 . . . . . . . . 1 1 . 1 . 009 ecloud orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.3 m -68.52 146.61 52.96 Favored 'General case' 0 C--O 1.209 -1.056 0 CA-C-N 123.27 3.535 . . . . 0.0 110.603 167.512 . . . . . . . . 1 1 . 1 . 009 ecloud orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 43.9 m -102.84 123.28 46.2 Favored 'General case' 0 CA--C 1.581 2.151 0 N-CA-C 102.296 -3.224 . . . . 0.0 102.296 -178.925 . . . . . . . . 1 1 . 1 . 009 ecloud orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.8 ttp -88.61 -58.4 2.57 Favored 'General case' 0 N--CA 1.403 -2.817 1 C-N-CA 132.66 4.384 . . . . 0.0 113.198 -172.581 . . . . . . . . 2 2 . 1 . 009 ecloud orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -177.15 146.38 7.74 Favored Glycine 0 C--N 1.378 2.864 0 O-C-N 118.487 -2.633 . . . . 0.0 107.896 -165.753 . . . . . . . . 1 1 . 1 . 009 ecloud orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.78 152.76 33.7 Favored 'General case' 0 C--O 1.199 -1.565 0 CA-C-O 124.775 2.226 . . . . 0.0 111.428 174.928 . . . . . . . . 1 1 . 1 . 009 ecloud orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 64.3 mtp180 -81.08 -106.06 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 128.724 2.81 . . . . 0.0 107.222 176.819 . . . . . . . . 1 1 . 1 . 009 ecloud orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 95.2 p -77.45 18.67 0.4 Allowed 'General case' 0 C--O 1.277 2.524 0 CA-C-O 124.542 2.115 . . . . 0.0 113.549 173.388 . . . . . . . . 1 1 . 1 . 009 ecloud orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.367 1.351 1 O-C-N 114.64 -5.037 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 ecloud orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.491 -1.323 0 CA-C-O 120.935 0.397 . . . . 0.0 110.074 . . . . . . . . . 0 0 . 1 . 010 ecloud orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.2 m -119.25 165.24 14.77 Favored 'Isoleucine or valine' 0 CA--C 1.465 -2.319 0 O-C-N 118.508 -2.62 . . . . 0.0 106.918 178.916 . . . . . . . . 1 1 . 1 . 010 ecloud orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -96.77 96.26 1.86 Allowed Glycine 1 C--N 1.406 4.472 0 N-CA-C 109.334 -1.506 . . . . 0.0 109.334 -163.83 . . . . . . . . 2 2 . 1 . 010 ecloud orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.0 mm -71.42 -43.92 72.31 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.642 0 C-N-CA 123.994 0.918 . . . . 0.0 110.087 -174.587 . . . . . . . . 1 1 . 1 . 010 ecloud orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -51.38 -53.04 29.96 Favored Glycine 1 CA--C 1.58 4.126 0 O-C-N 118.417 -2.677 . . . . 0.0 112.244 165.97 . . . . . . . . 2 2 . 1 . 010 ecloud orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.25 -46.96 82.55 Favored 'General case' 0 C--N 1.402 2.89 0 O-C-N 127.723 2.661 . . . . 0.0 115.906 -176.014 . . . . . . . . 1 1 . 1 . 010 ecloud orig full ' A' A ' 7' ' ' LEU . . . . . 0.511 ' HA ' HD12 ' A' ' 7' ' ' LEU . 15.7 tp -61.71 -70.0 0.21 Allowed 'General case' 0 C--N 1.415 3.424 0 O-C-N 118.652 -2.53 . . . . 0.0 115.783 167.269 . . . . . . . . 2 2 . 1 . 010 ecloud orig full ' A' A ' 8' ' ' PHE . . . . . 0.674 ' HA ' HD12 ' A' ' 12' ' ' LEU . 56.7 m-85 -85.05 -38.95 18.56 Favored 'General case' 0 C--O 1.251 1.165 0 O-C-N 117.71 -3.119 . . . . 0.0 114.19 -155.334 . . . . . . . . 2 2 . 1 . 010 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 tt -83.31 -61.68 1.79 Allowed 'General case' 0 N--CA 1.437 -1.109 0 O-C-N 119.869 -1.769 . . . . 0.0 110.444 171.753 . . . . . . . . 1 1 . 1 . 010 ecloud orig full ' A' A ' 10' ' ' GLY . . . . . 0.476 ' HA2' ' HB3' ' A' ' 14' ' ' ALA . . . -70.31 -61.66 4.1 Favored Glycine 0 N--CA 1.479 1.54 0 CA-C-N 120.929 1.695 . . . . 0.0 110.012 -170.816 . . . . . . . . 2 2 . 1 . 010 ecloud orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -69.61 -55.01 11.27 Favored 'General case' 0 CA--C 1.594 2.658 0 CA-C-N 121.485 2.642 . . . . 0.0 112.162 -175.284 . . . . . . . . 1 1 . 1 . 010 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . 0.674 HD12 ' HA ' ' A' ' 8' ' ' PHE . 88.9 mt -63.72 -38.93 92.97 Favored 'General case' 0 C--O 1.275 2.433 0 O-C-N 117.527 -3.233 . . . . 0.0 119.318 -177.358 . . . . . . . . 2 2 . 1 . 010 ecloud orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.53 -49.1 0.53 Allowed Glycine 1 C--N 1.413 4.84 0 CA-C-O 115.136 -3.035 . . . . 0.0 112.279 -170.423 . . . . . . . . 2 2 . 1 . 010 ecloud orig full ' A' A ' 14' ' ' ALA . . . . . 0.476 ' HB3' ' HA2' ' A' ' 10' ' ' GLY . . . -70.3 -52.19 24.72 Favored 'General case' 0 N--CA 1.42 -1.946 1 CA-C-N 125.025 4.412 . . . . 0.0 112.937 179.321 . . . . . . . . 3 3 . 1 . 010 ecloud orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.33 -57.25 3.8 Favored 'General case' 0 C--O 1.191 -2.001 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -177.984 . . . . . . . . 1 1 . 1 . 010 ecloud orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 131.88 38.42 0.26 Allowed Glycine 1 CA--C 1.449 -4.034 0 O-C-N 126.043 2.089 . . . . 0.0 113.799 148.837 . . . . . . . . 2 2 . 1 . 010 ecloud orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.0 m -79.88 161.77 25.39 Favored 'General case' 0 C--N 1.374 1.674 0 O-C-N 118.647 -2.678 . . . . 0.0 113.642 -178.256 . . . . . . . . 1 1 . 1 . 010 ecloud orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.1 m -96.54 116.73 29.57 Favored 'General case' 0 CA--C 1.492 -1.27 0 CA-C-O 126.357 2.98 . . . . 0.0 109.284 -168.274 . . . . . . . . 1 1 . 1 . 010 ecloud orig full ' A' A ' 19' ' ' MET . . . . . 0.571 ' HB2' HD22 ' A' ' 12' ' ' LEU . 45.7 ttp -78.01 -54.94 5.72 Favored 'General case' 0 CA--C 1.452 -2.812 0 O-C-N 117.454 -3.279 . . . . 0.0 105.061 170.334 . . . . . . . . 2 2 . 1 . 010 ecloud orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -179.42 173.36 45.3 Favored Glycine 0 CA--C 1.48 -2.136 0 O-C-N 117.853 -3.029 . . . . 0.0 105.627 170.535 . . . . . . . . 1 1 . 1 . 010 ecloud orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.57 172.14 6.95 Favored 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 162.973 . . . . . . . . 1 1 . 1 . 010 ecloud orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -93.28 -70.37 0.7 Allowed 'General case' 0 N--CA 1.435 -1.184 0 C-N-CA 126.615 1.966 . . . . 0.0 106.57 -178.089 . . . . . . . . 1 1 . 1 . 010 ecloud orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.2 p -83.48 -47.65 11.13 Favored 'General case' 0 CA--C 1.599 2.847 0 N-CA-C 116.493 2.034 . . . . 0.0 116.493 171.786 . . . . . . . . 1 1 . 1 . 010 ecloud orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.366 1.289 0 O-C-N 121.351 -0.843 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 ecloud orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.0 0 N-CA-C 117.78 2.511 . . . . 0.0 117.78 . . . . . . . . . 0 0 . 1 . 011 ecloud orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.1 m -85.84 169.31 1.48 Allowed 'Isoleucine or valine' 0 C--O 1.261 1.697 0 CA-C-N 124.407 3.276 . . . . 0.0 110.999 162.331 . . . . . . . . 1 1 . 1 . 011 ecloud orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -79.78 85.13 1.28 Allowed Glycine 0 CA--C 1.465 -3.042 0 O-C-N 118.615 -2.553 . . . . 0.0 112.757 174.38 . . . . . . . . 1 1 . 1 . 011 ecloud orig full ' A' A ' 4' ' ' ILE . . . . . 0.49 HD12 HG23 ' A' ' 4' ' ' ILE . 6.8 mm -84.87 -52.33 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.375 0 C-N-CA 128.787 2.835 . . . . 0.0 112.353 -174.641 . . . . . . . . 2 2 . 1 . 011 ecloud orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -65.34 -39.15 95.71 Favored Glycine 0 C--N 1.382 3.115 1 CA-C-O 127.86 4.033 . . . . 0.0 111.508 175.102 . . . . . . . . 2 2 . 1 . 011 ecloud orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.14 -41.9 93.68 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 131.323 3.849 . . . . 0.0 107.339 176.767 . . . . . . . . 1 1 . 1 . 011 ecloud orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 25.9 tp -63.86 -82.49 0.02 OUTLIER 'General case' 0 C--O 1.2 -1.504 0 O-C-N 118.556 -2.59 . . . . 0.0 114.441 167.682 . . . . . . . . 1 1 . 1 . 011 ecloud orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -56.75 -52.22 65.82 Favored 'General case' 0 CA--C 1.499 -0.99 1 O-C-N 115.409 -4.557 . . . . 0.0 115.147 -173.997 . . . . . . . . 2 2 . 1 . 011 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 9' ' ' LEU . 91.3 mt -85.26 -34.32 21.98 Favored 'General case' 0 C--O 1.21 -1.026 0 CA-C-O 117.144 -1.408 . . . . 0.0 108.211 -169.468 . . . . . . . . 2 2 . 1 . 011 ecloud orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -83.51 -66.33 1.52 Allowed Glycine 1 N--CA 1.393 -4.191 0 CA-C-O 125.814 2.897 . . . . 0.0 115.132 178.812 . . . . . . . . 2 2 . 1 . 011 ecloud orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -71.84 -51.5 22.13 Favored 'General case' 0 N--CA 1.408 -2.554 0 O-C-N 118.277 -2.896 . . . . 0.0 112.272 -178.296 . . . . . . . . 1 1 . 1 . 011 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . 0.63 HD22 ' HB2' ' A' ' 19' ' ' MET . 56.3 mt -88.2 -18.75 28.01 Favored 'General case' 0 C--O 1.201 -1.449 0 O-C-N 117.915 -2.991 . . . . 0.0 118.238 -173.656 . . . . . . . . 2 2 . 1 . 011 ecloud orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -109.92 -54.26 0.56 Allowed Glycine 0 C--N 1.369 2.41 0 O-C-N 119.571 -1.956 . . . . 0.0 110.209 -175.291 . . . . . . . . 1 1 . 1 . 011 ecloud orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.37 -72.21 0.06 Allowed 'General case' 0 C--N 1.366 1.301 0 O-C-N 118.743 -2.622 . . . . 0.0 117.811 172.14 . . . . . . . . 1 1 . 1 . 011 ecloud orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.41 -56.08 11.11 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-N 112.771 -2.013 . . . . 0.0 105.954 -176.564 . . . . . . . . 1 1 . 1 . 011 ecloud orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 103.13 73.17 0.95 Allowed Glycine 0 N--CA 1.405 -3.374 0 O-C-N 118.82 -2.425 . . . . 0.0 112.746 175.609 . . . . . . . . 1 1 . 1 . 011 ecloud orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.56 154.14 20.29 Favored 'General case' 0 CA--C 1.457 -2.61 0 CA-C-O 125.168 2.413 . . . . 0.0 107.511 -177.669 . . . . . . . . 2 2 . 1 . 011 ecloud orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.8 m -70.83 109.53 5.05 Favored 'General case' 0 C--N 1.365 1.245 0 N-CA-C 117.669 2.47 . . . . 0.0 117.669 -165.594 . . . . . . . . 1 1 . 1 . 011 ecloud orig full ' A' A ' 19' ' ' MET . . . . . 0.63 ' HB2' HD22 ' A' ' 12' ' ' LEU . 25.0 ttt -86.14 -57.42 3.03 Favored 'General case' 0 N--CA 1.421 -1.918 0 CA-C-O 124.046 1.879 . . . . 0.0 114.358 -179.051 . . . . . . . . 2 2 . 1 . 011 ecloud orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 167.03 170.07 31.43 Favored Glycine 0 CA--C 1.486 -1.768 0 CA-C-N 113.904 -1.498 . . . . 0.0 109.919 -154.211 . . . . . . . . 1 1 . 1 . 011 ecloud orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.06 174.08 9.16 Favored 'General case' 0 N--CA 1.403 -2.782 0 CA-C-O 124.68 2.181 . . . . 0.0 110.704 179.818 . . . . . . . . 1 1 . 1 . 011 ecloud orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 38.1 mtp180 -100.09 -69.05 0.78 Allowed 'General case' 0 C--O 1.265 1.878 1 O-C-N 114.478 -5.139 . . . . 0.0 105.64 179.828 . . . . . . . . 2 2 . 1 . 011 ecloud orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 83.8 p -71.51 -34.69 70.33 Favored 'General case' 0 C--N 1.365 1.265 0 O-C-N 117.983 -2.948 . . . . 0.0 117.798 -178.889 . . . . . . . . 1 1 . 1 . 011 ecloud orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.687 0 CA-C-N 112.346 -2.206 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 ecloud orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.521 3.08 0 CA-C-O 124.188 1.947 . . . . 0.0 109.841 . . . . . . . . . 0 0 . 1 . 012 ecloud orig full ' A' A ' 2' ' ' VAL . . . . . 0.447 ' HB ' ' H ' ' A' ' 3' ' ' GLY . 3.8 m -89.43 -176.64 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.893 0 C-N-CA 130.305 3.442 . . . . 0.0 116.393 -177.231 . . . . . . . . 2 2 . 1 . 012 ecloud orig full ' A' A ' 3' ' ' GLY . . . . . 0.447 ' H ' ' HB ' ' A' ' 2' ' ' VAL . . . -93.95 72.45 1.2 Allowed Glycine 0 N--CA 1.508 3.483 0 C-N-CA 116.702 -2.666 . . . . 0.0 116.521 -167.935 . . . . . . . . 2 2 . 1 . 012 ecloud orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 25.1 mm -70.81 -64.31 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.425 -1.709 1 C-N-CA 132.373 4.269 . . . . 0.0 114.256 -172.34 . . . . . . . . 2 2 . 1 . 012 ecloud orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -57.21 -38.78 88.09 Favored Glycine 0 C--N 1.398 3.976 0 CA-C-O 126.08 3.045 . . . . 0.0 110.365 179.565 . . . . . . . . 1 1 . 1 . 012 ecloud orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.18 -33.39 73.31 Favored 'General case' 0 N--CA 1.42 -1.944 0 C-N-CA 126.157 1.783 . . . . 0.0 114.848 178.341 . . . . . . . . 1 1 . 1 . 012 ecloud orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.8 tp -71.1 -59.63 2.67 Favored 'General case' 0 N--CA 1.407 -2.597 0 O-C-N 119.289 -2.132 . . . . 0.0 114.442 165.481 . . . . . . . . 1 1 . 1 . 012 ecloud orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -72.17 -60.63 2.14 Favored 'General case' 0 C--O 1.257 1.489 0 O-C-N 119.203 -2.185 . . . . 0.0 110.471 -172.341 . . . . . . . . 1 1 . 1 . 012 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.5 mt -70.95 -67.31 0.52 Allowed 'General case' 0 C--O 1.179 -2.623 0 O-C-N 119.001 -2.312 . . . . 0.0 111.464 -177.232 . . . . . . . . 1 1 . 1 . 012 ecloud orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.85 -70.09 0.8 Allowed Glycine 0 C--O 1.277 2.806 0 C-N-CA 127.755 2.597 . . . . 0.0 114.111 -179.692 . . . . . . . . 1 1 . 1 . 012 ecloud orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -75.71 -53.28 8.79 Favored 'General case' 0 C--N 1.382 2.021 1 O-C-N 113.318 -5.813 . . . . 0.0 109.81 -169.949 . . . . . . . . 2 2 . 1 . 012 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.3 mt -84.27 -28.07 27.44 Favored 'General case' 0 C--O 1.274 2.35 0 O-C-N 116.868 -3.645 . . . . 0.0 112.617 -166.795 . . . . . . . . 1 1 . 1 . 012 ecloud orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.61 -56.71 1.31 Allowed Glycine 0 C--N 1.349 1.28 0 C-N-CA 127.184 2.326 . . . . 0.0 116.694 -175.924 . . . . . . . . 1 1 . 1 . 012 ecloud orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.38 -54.42 3.81 Favored 'General case' 0 N--CA 1.383 -3.797 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 -165.812 . . . . . . . . 1 1 . 1 . 012 ecloud orig full ' A' A ' 15' ' ' ALA . . . . . 0.462 ' HB3' ' H ' ' A' ' 16' ' ' GLY 0.349 . . -65.27 -71.38 0.19 Allowed 'General case' 0 CA--C 1.559 1.325 0 C-N-CA 118.706 -1.198 . . . . 0.0 110.421 174.273 . . . . . . . . 3 3 . 1 . 012 ecloud orig full ' A' A ' 16' ' ' GLY . . . . . 0.462 ' H ' ' HB3' ' A' ' 15' ' ' ALA . . . 137.32 26.7 0.37 Allowed Glycine 1 C--N 1.402 4.203 0 N-CA-C 120.422 2.929 . . . . 0.0 120.422 176.106 . . . . . . . . 3 3 . 1 . 012 ecloud orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.8 m -62.86 162.69 10.68 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-O 117.379 -1.296 . . . . 0.0 114.25 173.594 . . . . . . . . 1 1 . 1 . 012 ecloud orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.9 m -88.78 128.67 35.64 Favored 'General case' 0 C--N 1.4 2.798 0 CA-C-O 117.556 -1.211 . . . . 0.0 112.228 179.482 . . . . . . . . 1 1 . 1 . 012 ecloud orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 24.2 ttt -83.3 -74.98 0.34 Allowed 'General case' 0 C--N 1.274 -2.711 1 O-C-N 129.485 4.241 . . . . 0.0 111.039 171.165 . . . . . . . . 2 2 . 1 . 012 ecloud orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 170.84 161.85 22.18 Favored Glycine 0 N--CA 1.509 3.549 0 O-C-N 119.177 -2.202 . . . . 0.0 113.002 -174.332 . . . . . . . . 1 1 . 1 . 012 ecloud orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.64 145.86 30.37 Favored 'General case' 0 N--CA 1.427 -1.601 0 O-C-N 125.121 1.13 . . . . 0.0 112.743 -166.717 . . . . . . . . 1 1 . 1 . 012 ecloud orig full ' A' A ' 22' ' ' ARG . . . . . 0.429 ' HB3' ' HE ' ' A' ' 22' ' ' ARG . 43.4 mtp180 -87.89 -51.85 5.61 Favored 'General case' 0 C--N 1.381 1.938 0 CA-C-O 123.738 1.732 . . . . 0.0 107.545 167.116 . . . . . . . . 2 2 . 1 . 012 ecloud orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . 0.368 17.5 p -114.21 -43.18 3.24 Favored 'General case' 0 N--CA 1.518 2.935 0 O-C-N 117.504 -3.248 . . . . 0.0 114.497 161.102 . . . . . . . . 2 2 . 1 . 012 ecloud orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.656 0 O-C-N 121.128 -0.983 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 ecloud orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.569 1.689 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 . . . . . . . . . 0 0 . 1 . 013 ecloud orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -112.78 174.88 2.23 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.736 0 CA-C-O 115.744 -2.074 . . . . 0.0 110.153 -178.77 . . . . . . . . 2 2 . 1 . 013 ecloud orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -85.98 79.5 1.86 Allowed Glycine 0 CA--C 1.547 2.09 2 C-N-CA 112.441 -4.695 . . . . 0.0 115.198 -175.606 . . . . . . . . 2 2 . 1 . 013 ecloud orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.1 mm -73.9 -64.92 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.478 -1.791 0 C-N-CA 126.584 1.954 . . . . 0.0 107.611 179.241 . . . . . . . . 1 1 . 1 . 013 ecloud orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.38 -39.64 73.59 Favored Glycine 0 CA--C 1.471 -2.69 0 C-N-CA 126.808 2.146 . . . . 0.0 114.312 179.485 . . . . . . . . 1 1 . 1 . 013 ecloud orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.6 -37.91 68.73 Favored 'General case' 0 C--O 1.26 1.655 0 CA-C-O 124.51 2.1 . . . . 0.0 116.372 168.045 . . . . . . . . 1 1 . 1 . 013 ecloud orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.9 tp -82.74 -59.15 2.6 Favored 'General case' 0 C--N 1.392 2.435 0 O-C-N 117.089 -3.507 . . . . 0.0 110.318 179.899 . . . . . . . . 1 1 . 1 . 013 ecloud orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.293 11.0 m-85 -76.06 -36.9 58.83 Favored 'General case' 0 CA--C 1.603 3.009 0 O-C-N 117.407 -3.308 . . . . 0.0 112.552 -170.168 . . . . . . . . 2 2 . 1 . 013 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.9 mt -96.52 -48.61 5.47 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-O 117.323 -1.322 . . . . 0.0 108.894 -179.425 . . . . . . . . 1 1 . 1 . 013 ecloud orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.11 -60.76 2.21 Favored Glycine 0 N--CA 1.423 -2.221 0 CA-C-N 123.131 2.696 . . . . 0.0 117.873 -170.815 . . . . . . . . 1 1 . 1 . 013 ecloud orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . 0.305 55.4 t80 -56.85 -60.42 3.59 Favored 'General case' 0 N--CA 1.521 3.085 0 CA-C-N 111.754 -2.223 . . . . 0.0 114.678 176.693 . . . . . . . . 2 2 . 1 . 013 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 35.8 mt -79.79 -34.57 39.56 Favored 'General case' 0 CA--C 1.575 1.916 0 C-N-CA 124.695 1.198 . . . . 0.0 112.452 -178.344 . . . . . . . . 1 1 . 1 . 013 ecloud orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.08 -73.07 1.28 Allowed Glycine 0 C--O 1.27 2.348 0 CA-C-O 119.289 -0.728 . . . . 0.0 112.733 -177.274 . . . . . . . . 1 1 . 1 . 013 ecloud orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.66 -62.27 1.45 Allowed 'General case' 0 N--CA 1.419 -2.023 0 C-N-CA 128.352 2.661 . . . . 0.0 111.277 -167.937 . . . . . . . . 1 1 . 1 . 013 ecloud orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.43 -20.93 63.78 Favored 'General case' 0 C--O 1.212 -0.9 0 CA-C-O 115.396 -2.24 . . . . 0.0 113.841 -179.572 . . . . . . . . 1 1 . 1 . 013 ecloud orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.82 34.24 13.75 Favored Glycine 0 CA--C 1.461 -3.299 0 CA-C-N 120.513 1.506 . . . . 0.0 115.361 167.777 . . . . . . . . 1 1 . 1 . 013 ecloud orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.8 m -59.54 132.41 53.89 Favored 'General case' 0 CA--C 1.468 -2.192 0 O-C-N 118.993 -2.474 . . . . 0.0 108.883 167.11 . . . . . . . . 1 1 . 1 . 013 ecloud orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 89.1 m -73.88 110.72 8.39 Favored 'General case' 0 CA--C 1.494 -1.209 0 CA-C-N 113.369 -1.742 . . . . 0.0 110.98 -179.02 . . . . . . . . 1 1 . 1 . 013 ecloud orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 10.9 ttt -75.01 -59.24 2.82 Favored 'General case' 0 C--O 1.267 1.977 1 O-C-N 115.744 -4.347 . . . . 0.0 115.583 -175.367 . . . . . . . . 2 2 . 1 . 013 ecloud orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -170.48 -179.56 41.96 Favored Glycine 0 N--CA 1.488 2.105 0 C-N-CA 117.966 -2.064 . . . . 0.0 108.054 -174.938 . . . . . . . . 1 1 . 1 . 013 ecloud orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.19 133.28 55.71 Favored 'General case' 0 N--CA 1.439 -1.016 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 167.211 . . . . . . . . 1 1 . 1 . 013 ecloud orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 -66.75 -62.04 1.65 Allowed 'General case' 0 CA--C 1.444 -3.127 0 C-N-CA 127.882 2.473 . . . . 0.0 110.724 166.405 . . . . . . . . 1 1 . 1 . 013 ecloud orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . 0.386 25.1 p -80.79 -52.65 7.26 Favored 'General case' 0 C--N 1.268 -2.966 0 CA-C-O 122.456 1.122 . . . . 0.0 111.806 179.751 . . . . . . . . 2 2 . 1 . 013 ecloud orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.38 1.907 0 O-C-N 117.683 -3.136 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 ecloud orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.53 3.55 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 . . . . . . . . . 0 0 . 1 . 014 ecloud orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.0 m -102.38 169.2 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.378 1.816 0 CA-C-N 122.723 2.511 . . . . 0.0 112.916 171.177 . . . . . . . . 1 1 . 1 . 014 ecloud orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -100.0 84.23 0.59 Allowed Glycine 0 N--CA 1.407 -3.254 0 CA-C-O 117.426 -1.763 . . . . 0.0 112.119 -157.939 . . . . . . . . 1 1 . 1 . 014 ecloud orig full ' A' A ' 4' ' ' ILE . . . . . 0.444 ' H ' HG12 ' A' ' 4' ' ' ILE . 2.8 mm -69.16 -40.94 81.13 Favored 'Isoleucine or valine' 0 C--N 1.38 1.906 0 O-C-N 129.826 3.898 . . . . 0.0 119.75 165.662 . . . . . . . . 2 2 . 1 . 014 ecloud orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.83 -54.26 5.45 Favored Glycine 0 N--CA 1.502 3.09 0 C-N-CA 129.605 3.478 . . . . 0.0 108.744 -173.427 . . . . . . . . 1 1 . 1 . 014 ecloud orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.48 -37.3 72.69 Favored 'General case' 0 CA--C 1.463 -2.396 0 N-CA-C 115.254 1.576 . . . . 0.0 115.254 -175.431 . . . . . . . . 1 1 . 1 . 014 ecloud orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 21.7 tp -78.0 -52.46 8.76 Favored 'General case' 0 C--N 1.399 2.76 0 C-N-CA 126.905 2.082 . . . . 0.0 109.144 -175.894 . . . . . . . . 1 1 . 1 . 014 ecloud orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -86.6 -31.96 20.88 Favored 'General case' 0 N--CA 1.433 -1.297 0 CA-C-O 115.933 -1.984 . . . . 0.0 114.9 -176.448 . . . . . . . . 1 1 . 1 . 014 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 67.7 mt -82.89 -49.46 9.63 Favored 'General case' 1 C--N 1.446 4.768 1 CA-C-N 126.954 4.434 . . . . 0.0 105.742 -177.455 . . . . . . . . 3 2 . 1 . 014 ecloud orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -90.37 -55.41 1.95 Allowed Glycine 0 C--N 1.364 2.127 0 C-N-CA 125.237 1.399 . . . . 0.0 112.105 -162.675 . . . . . . . . 1 1 . 1 . 014 ecloud orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -80.4 -59.49 2.68 Favored 'General case' 0 CA--C 1.586 2.36 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.597 -172.553 . . . . . . . . 1 1 . 1 . 014 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.0 mt -69.86 -50.35 43.49 Favored 'General case' 0 CA--C 1.575 1.942 0 CA-C-O 122.996 1.379 . . . . 0.0 110.083 172.717 . . . . . . . . 1 1 . 1 . 014 ecloud orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.04 -57.46 4.8 Favored Glycine 0 CA--C 1.576 3.847 1 O-C-N 115.089 -4.757 . . . . 0.0 112.508 -168.032 . . . . . . . . 2 2 . 1 . 014 ecloud orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.32 -51.56 6.49 Favored 'General case' 0 N--CA 1.414 -2.233 0 N-CA-C 116.029 1.862 . . . . 0.0 116.029 -176.164 . . . . . . . . 1 1 . 1 . 014 ecloud orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . 0.384 . . -58.46 -40.01 81.48 Favored 'General case' 0 N--CA 1.428 -1.556 0 N-CA-C 117.352 2.353 . . . . 0.0 117.352 170.238 . . . . . . . . 2 2 . 1 . 014 ecloud orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.14 53.63 2.78 Favored Glycine 1 CA--C 1.45 -4.008 0 O-C-N 118.873 -2.392 . . . . 0.0 116.466 170.052 . . . . . . . . 2 2 . 1 . 014 ecloud orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.1 m -99.27 147.9 24.7 Favored 'General case' 0 CA--C 1.578 2.041 0 CA-C-O 124.881 2.277 . . . . 0.0 108.316 166.389 . . . . . . . . 1 1 . 1 . 014 ecloud orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 88.3 m -63.68 121.08 13.07 Favored 'General case' 0 CA--C 1.583 2.23 0 O-C-N 119.314 -2.116 . . . . 0.0 113.547 -178.447 . . . . . . . . 1 1 . 1 . 014 ecloud orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 7.0 ttp -91.76 -38.17 12.54 Favored 'General case' 0 CA--C 1.496 -1.102 0 CA-C-N 112.382 -2.19 . . . . 0.0 115.338 -176.506 . . . . . . . . 1 1 . 1 . 014 ecloud orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 172.59 -178.58 44.6 Favored Glycine 0 C--N 1.398 3.987 1 N-CA-C 97.115 -6.394 . . . . 0.0 97.115 170.153 . . . . . . . . 2 2 . 1 . 014 ecloud orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -145.92 137.81 25.16 Favored 'General case' 0 CA--C 1.501 -0.909 0 C-N-CA 126.131 1.773 . . . . 0.0 109.771 -177.844 . . . . . . . . 1 1 . 1 . 014 ecloud orig full ' A' A ' 22' ' ' ARG . . . . . 0.406 ' HE ' ' HB3' ' A' ' 22' ' ' ARG . 22.0 mtp180 -73.56 -34.12 65.0 Favored 'General case' 0 N--CA 1.401 -2.896 0 O-C-N 126.582 2.427 . . . . 0.0 114.765 -169.239 . . . . . . . . 2 2 . 1 . 014 ecloud orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . 0.299 25.9 p -112.27 -47.96 3.06 Favored 'General case' 0 CA--C 1.583 2.216 0 N-CA-C 116.627 2.084 . . . . 0.0 116.627 178.85 . . . . . . . . 2 2 . 1 . 014 ecloud orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 0.889 0 O-C-N 118.319 -2.738 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 ecloud orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.532 3.671 0 CA-C-O 117.935 -1.031 . . . . 0.0 109.94 . . . . . . . . . 0 0 . 1 . 015 ecloud orig full ' A' A ' 2' ' ' VAL . . . . . 0.467 HG22 ' H ' ' A' ' 2' ' ' VAL . 16.8 m -74.54 -178.7 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.371 1.506 0 CA-C-N 120.327 1.421 . . . . 0.0 112.28 161.849 . . . . . . . . 2 2 . 1 . 015 ecloud orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -105.33 67.87 0.26 Allowed Glycine 0 CA--C 1.461 -3.341 0 N-CA-C 118.718 2.247 . . . . 0.0 118.718 -166.778 . . . . . . . . 1 1 . 1 . 015 ecloud orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 38.4 mm -65.17 -50.84 71.84 Favored 'Isoleucine or valine' 0 N--CA 1.387 -3.614 0 CA-C-O 123.585 1.66 . . . . 0.0 114.512 -168.465 . . . . . . . . 1 1 . 1 . 015 ecloud orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -67.94 -42.87 84.63 Favored Glycine 1 N--CA 1.379 -5.107 0 CA-C-N 111.307 -2.679 . . . . 0.0 117.085 170.027 . . . . . . . . 2 2 . 1 . 015 ecloud orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . 0.256 . . -42.26 -45.5 4.19 Favored 'General case' 0 C--N 1.391 2.395 0 N-CA-C 116.688 2.107 . . . . 0.0 116.688 165.122 . . . . . . . . 2 2 . 1 . 015 ecloud orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 45.8 tp -73.01 -61.46 1.8 Allowed 'General case' 0 CA--C 1.476 -1.898 0 C-N-CA 126.993 2.117 . . . . 0.0 110.356 -179.968 . . . . . . . . 1 1 . 1 . 015 ecloud orig full ' A' A ' 8' ' ' PHE . . . . . 0.403 ' HD2' HD12 ' A' ' 12' ' ' LEU . 13.1 m-85 -72.19 -41.22 67.22 Favored 'General case' 0 N--CA 1.397 -3.112 0 N-CA-C 119.6 3.185 . . . . 0.0 119.6 -174.915 . . . . . . . . 2 2 . 1 . 015 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 55.6 mt -83.91 -43.73 14.98 Favored 'General case' 0 C--N 1.374 1.665 0 O-C-N 117.859 -3.026 . . . . 0.0 112.988 177.42 . . . . . . . . 1 1 . 1 . 015 ecloud orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -80.08 -47.98 6.75 Favored Glycine 0 C--N 1.352 1.428 0 C-N-CA 126.684 2.088 . . . . 0.0 117.349 -173.719 . . . . . . . . 1 1 . 1 . 015 ecloud orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -86.05 -43.14 13.35 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.645 1.722 . . . . 0.0 109.622 -176.188 . . . . . . . . 1 1 . 1 . 015 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . 0.403 HD12 ' HD2' ' A' ' 8' ' ' PHE . 88.4 mt -91.27 -43.45 9.8 Favored 'General case' 0 N--CA 1.428 -1.574 0 CA-C-O 123.771 1.748 . . . . 0.0 110.251 -170.84 . . . . . . . . 2 2 . 1 . 015 ecloud orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.49 -81.18 0.58 Allowed Glycine 0 CA--C 1.563 3.085 0 O-C-N 118.994 -2.316 . . . . 0.0 116.982 176.013 . . . . . . . . 1 1 . 1 . 015 ecloud orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.02 -57.99 6.43 Favored 'General case' 0 C--N 1.399 2.733 0 C-N-CA 129.554 3.142 . . . . 0.0 114.064 173.633 . . . . . . . . 1 1 . 1 . 015 ecloud orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . 0.335 . . -76.75 -41.82 43.39 Favored 'General case' 0 CA--C 1.577 1.991 0 N-CA-C 116.044 1.868 . . . . 0.0 116.044 -177.361 . . . . . . . . 2 2 . 1 . 015 ecloud orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.76 36.06 4.66 Favored Glycine 0 CA--C 1.458 -3.523 0 CA-C-N 120.321 1.419 . . . . 0.0 114.416 164.913 . . . . . . . . 1 1 . 1 . 015 ecloud orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.9 t -83.74 172.53 12.14 Favored 'General case' 0 CA--C 1.481 -1.709 0 CA-C-N 118.781 1.291 . . . . 0.0 114.289 -175.525 . . . . . . . . 1 1 . 1 . 015 ecloud orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.6 m -67.78 129.05 38.71 Favored 'General case' 0 C--O 1.271 2.201 0 O-C-N 119.627 -1.921 . . . . 0.0 111.346 -177.295 . . . . . . . . 1 1 . 1 . 015 ecloud orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 7.2 ttt -98.21 -84.46 0.39 Allowed 'General case' 0 C--N 1.388 2.278 0 CA-C-O 124.311 2.005 . . . . 0.0 108.932 176.438 . . . . . . . . 1 1 . 1 . 015 ecloud orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -160.1 172.12 36.52 Favored Glycine 0 N--CA 1.421 -2.36 0 O-C-N 119.045 -2.285 . . . . 0.0 108.087 176.523 . . . . . . . . 1 1 . 1 . 015 ecloud orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.9 110.6 21.96 Favored 'General case' 0 C--O 1.26 1.625 0 CA-C-O 123.966 1.841 . . . . 0.0 112.8 -178.66 . . . . . . . . 1 1 . 1 . 015 ecloud orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 67.9 mtp180 -86.49 -49.16 7.79 Favored 'General case' 0 C--N 1.386 2.158 0 CA-C-O 115.061 -2.399 . . . . 0.0 112.995 163.115 . . . . . . . . 1 1 . 1 . 015 ecloud orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.6 p -81.48 -35.46 30.47 Favored 'General case' 0 N--CA 1.52 3.056 0 CA-C-O 113.402 -3.19 . . . . 0.0 111.095 -175.12 . . . . . . . . 1 1 . 1 . 015 ecloud orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.052 0 CA-C-N 124.931 3.514 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 ecloud orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.179 -2.619 1 N-CA-C 122.628 4.307 . . . . 0.0 122.628 . . . . . . . . . 1 1 . 1 . 016 ecloud orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.4 m -82.2 165.41 2.59 Favored 'Isoleucine or valine' 0 C--N 1.399 2.728 0 O-C-N 117.441 -3.287 . . . . 0.0 112.408 179.641 . . . . . . . . 1 1 . 1 . 016 ecloud orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -82.47 66.47 3.9 Favored Glycine 0 N--CA 1.492 2.407 0 O-C-N 117.43 -3.294 . . . . 0.0 115.335 -164.484 . . . . . . . . 1 1 . 1 . 016 ecloud orig full ' A' A ' 4' ' ' ILE . . . . . 0.498 HD13 ' HA ' ' A' ' 4' ' ' ILE . 43.7 mm -59.76 -53.47 48.02 Favored 'Isoleucine or valine' 0 C--O 1.269 2.119 0 CA-C-N 113.309 -1.446 . . . . 0.0 112.937 174.616 . . . . . . . . 2 2 . 1 . 016 ecloud orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.72 -53.71 39.87 Favored Glycine 0 CA--C 1.543 1.83 0 O-C-N 118.318 -2.739 . . . . 0.0 114.521 168.64 . . . . . . . . 1 1 . 1 . 016 ecloud orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . 0.259 . . -35.06 -63.45 0.33 Allowed 'General case' 0 N--CA 1.512 2.626 0 C-N-CA 125.605 1.562 . . . . 0.0 115.161 166.053 . . . . . . . . 2 2 . 1 . 016 ecloud orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 17.3 tp -81.16 -51.16 8.75 Favored 'General case' 0 C--N 1.367 1.344 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 -170.214 . . . . . . . . 1 1 . 1 . 016 ecloud orig full ' A' A ' 8' ' ' PHE . . . . . 0.634 ' HA ' HD12 ' A' ' 12' ' ' LEU . 97.9 m-85 -83.9 -39.99 19.15 Favored 'General case' 0 C--N 1.385 2.147 0 CA-C-N 122.808 2.549 . . . . 0.0 115.681 -169.201 . . . . . . . . 2 2 . 1 . 016 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . 0.411 ' HA ' HD23 ' A' ' 9' ' ' LEU . 96.5 mt -94.1 -37.69 11.48 Favored 'General case' 0 N--CA 1.519 3.019 0 CA-C-O 124.117 1.913 . . . . 0.0 115.732 177.022 . . . . . . . . 2 2 . 1 . 016 ecloud orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.15 -51.51 4.67 Favored Glycine 0 CA--C 1.495 -1.171 0 O-C-N 117.34 -3.35 . . . . 0.0 112.729 -177.693 . . . . . . . . 1 1 . 1 . 016 ecloud orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -86.55 -62.22 1.56 Allowed 'General case' 0 N--CA 1.437 -1.107 0 O-C-N 116.793 -3.769 . . . . 0.0 111.283 -170.049 . . . . . . . . 1 1 . 1 . 016 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . 0.634 HD12 ' HA ' ' A' ' 8' ' ' PHE . 20.2 mt -64.82 -46.98 79.69 Favored 'General case' 0 N--CA 1.503 2.205 0 C-N-CA 127.577 2.351 . . . . 0.0 116.568 172.828 . . . . . . . . 2 2 . 1 . 016 ecloud orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.83 -79.48 0.32 Allowed Glycine 0 C--O 1.173 -3.67 0 CA-C-O 126.651 3.362 . . . . 0.0 116.848 177.345 . . . . . . . . 1 1 . 1 . 016 ecloud orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.62 -66.11 0.59 Allowed 'General case' 0 CA--C 1.573 1.865 0 O-C-N 117.751 -3.206 . . . . 0.0 114.137 -177.102 . . . . . . . . 1 1 . 1 . 016 ecloud orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.88 -50.77 72.21 Favored 'General case' 0 C--N 1.385 2.127 1 O-C-N 115.967 -4.208 . . . . 0.0 113.237 175.654 . . . . . . . . 2 2 . 1 . 016 ecloud orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 109.04 40.97 1.47 Allowed Glycine 0 CA--C 1.47 -2.738 0 O-C-N 117.794 -3.066 . . . . 0.0 111.352 164.965 . . . . . . . . 1 1 . 1 . 016 ecloud orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.0 t -69.98 158.93 34.71 Favored 'General case' 0 CA--C 1.571 1.777 0 O-C-N 119.635 -2.097 . . . . 0.0 113.352 174.916 . . . . . . . . 1 1 . 1 . 016 ecloud orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.3 m -75.69 116.89 16.87 Favored 'General case' 0 C--O 1.219 -0.529 0 C-N-CA 124.208 1.003 . . . . 0.0 112.547 179.997 . . . . . . . . 1 1 . 1 . 016 ecloud orig full ' A' A ' 19' ' ' MET . . . . . 0.411 ' HB2' HD22 ' A' ' 12' ' ' LEU . 13.7 ttt -84.71 -50.76 7.34 Favored 'General case' 0 C--O 1.26 1.644 0 CA-C-O 123.731 1.729 . . . . 0.0 112.783 165.828 . . . . . . . . 2 2 . 1 . 016 ecloud orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 171.42 -162.67 35.31 Favored Glycine 0 C--N 1.381 3.03 0 C-N-CA 125.719 1.628 . . . . 0.0 111.194 161.723 . . . . . . . . 1 1 . 1 . 016 ecloud orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.82 155.88 28.22 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-O 125.262 2.458 . . . . 0.0 110.779 -173.7 . . . . . . . . 1 1 . 1 . 016 ecloud orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 49.1 mtp180 -84.12 -73.65 0.41 Allowed 'General case' 0 CA--C 1.568 1.648 1 O-C-N 115.765 -4.334 . . . . 0.0 107.317 170.485 . . . . . . . . 2 2 . 1 . 016 ecloud orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . 0.412 74.3 p -104.42 -65.88 1.0 Allowed 'General case' 0 CA--C 1.568 1.646 0 CA-C-O 126.259 2.933 . . . . 0.0 114.739 177.937 . . . . . . . . 2 2 . 1 . 016 ecloud orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.571 0 O-C-N 117.838 -3.039 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 ecloud orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.921 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 017 ecloud orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.6 m -80.31 175.92 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.398 2.687 0 O-C-N 118.996 -2.315 . . . . 0.0 108.159 167.47 . . . . . . . . 1 1 . 1 . 017 ecloud orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -87.78 89.02 1.58 Allowed Glycine 0 N--CA 1.494 2.513 0 O-C-N 118.08 -2.887 . . . . 0.0 112.282 176.25 . . . . . . . . 1 1 . 1 . 017 ecloud orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 39.5 mm -76.75 -42.35 33.64 Favored 'Isoleucine or valine' 0 C--O 1.275 2.439 0 O-C-N 117.801 -3.176 . . . . 0.0 117.112 170.155 . . . . . . . . 1 1 . 1 . 017 ecloud orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -76.79 -30.63 55.77 Favored Glycine 0 CA--C 1.475 -2.442 0 CA-C-O 115.305 -2.942 . . . . 0.0 114.712 173.095 . . . . . . . . 1 1 . 1 . 017 ecloud orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.03 -39.43 92.28 Favored 'General case' 0 C--O 1.208 -1.124 0 CA-C-N 123.006 3.403 . . . . 0.0 112.07 174.022 . . . . . . . . 1 1 . 1 . 017 ecloud orig full ' A' A ' 7' ' ' LEU . . . . . 0.435 ' HA ' HD12 ' A' ' 7' ' ' LEU . 13.4 tp -70.35 -70.7 0.28 Allowed 'General case' 0 C--O 1.188 -2.145 0 O-C-N 125.015 1.447 . . . . 0.0 112.236 175.614 . . . . . . . . 2 2 . 1 . 017 ecloud orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -64.9 -42.24 94.93 Favored 'General case' 0 C--N 1.377 1.785 0 O-C-N 119.433 -2.042 . . . . 0.0 112.247 -166.786 . . . . . . . . 1 1 . 1 . 017 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 24.8 mt -98.24 -43.72 6.86 Favored 'General case' 0 N--CA 1.445 -0.694 0 O-C-N 120.66 -1.275 . . . . 0.0 108.814 -164.512 . . . . . . . . 1 1 . 1 . 017 ecloud orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.68 -80.94 0.19 Allowed Glycine 1 N--CA 1.522 4.408 0 C-N-CA 125.418 1.485 . . . . 0.0 112.665 178.611 . . . . . . . . 2 2 . 1 . 017 ecloud orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -73.6 -53.24 10.96 Favored 'General case' 0 CA--C 1.616 3.489 0 C-N-CA 126.387 1.875 . . . . 0.0 109.535 -168.298 . . . . . . . . 1 1 . 1 . 017 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 70.6 mt -77.29 -13.17 59.99 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 121.152 1.796 . . . . 0.0 115.759 173.585 . . . . . . . . 1 1 . 1 . 017 ecloud orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -98.89 -82.03 1.64 Allowed Glycine 0 CA--C 1.483 -1.923 0 CA-C-N 120.531 1.514 . . . . 0.0 113.404 176.38 . . . . . . . . 1 1 . 1 . 017 ecloud orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.76 -47.17 61.01 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-O 124.213 1.958 . . . . 0.0 111.913 -161.431 . . . . . . . . 1 1 . 1 . 017 ecloud orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.79 98.87 Favored 'General case' 0 CA--C 1.456 -2.67 0 C-N-CA 128.725 2.81 . . . . 0.0 113.45 168.753 . . . . . . . . 1 1 . 1 . 017 ecloud orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.24 44.62 4.33 Favored Glycine 0 C--N 1.362 1.977 0 CA-C-O 123.866 1.815 . . . . 0.0 111.026 165.225 . . . . . . . . 1 1 . 1 . 017 ecloud orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.4 t -85.51 -179.01 6.83 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 119.377 -2.249 . . . . 0.0 110.105 179.498 . . . . . . . . 1 1 . 1 . 017 ecloud orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.6 m -95.68 120.89 36.73 Favored 'General case' 0 CA--C 1.439 -3.326 0 O-C-N 120.277 -1.514 . . . . 0.0 111.454 -177.723 . . . . . . . . 1 1 . 1 . 017 ecloud orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 17.6 ttt -88.42 -55.78 3.58 Favored 'General case' 0 C--O 1.267 2.012 0 C-N-CA 127.827 2.451 . . . . 0.0 113.948 176.595 . . . . . . . . 1 1 . 1 . 017 ecloud orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 160.18 -164.8 34.55 Favored Glycine 0 CA--C 1.474 -2.49 0 C-N-CA 116.92 -2.562 . . . . 0.0 109.707 -171.149 . . . . . . . . 1 1 . 1 . 017 ecloud orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.11 142.19 51.58 Favored 'General case' 0 C--O 1.191 -2.015 0 O-C-N 124.431 0.724 . . . . 0.0 111.55 -174.104 . . . . . . . . 1 1 . 1 . 017 ecloud orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -81.09 -67.43 0.78 Allowed 'General case' 0 CA--C 1.585 2.29 0 O-C-N 120.013 -1.679 . . . . 0.0 109.948 -173.063 . . . . . . . . 1 1 . 1 . 017 ecloud orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 82.3 p -74.7 -31.26 61.83 Favored 'General case' 0 C--N 1.384 2.094 0 CA-C-O 126.802 3.191 . . . . 0.0 111.709 -173.372 . . . . . . . . 1 1 . 1 . 017 ecloud orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.587 0 O-C-N 119.034 -2.291 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 ecloud orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.371 0 CA-C-O 114.272 -2.775 . . . . 0.0 113.63 . . . . . . . . . 0 0 . 1 . 018 ecloud orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.1 m -104.46 -167.74 0.22 Allowed 'Isoleucine or valine' 0 C--O 1.208 -1.091 0 N-CA-C 105.333 -2.099 . . . . 0.0 105.333 166.949 . . . . . . . . 1 1 . 1 . 018 ecloud orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -86.97 70.9 2.83 Favored Glycine 0 C--N 1.368 2.317 0 CA-C-O 113.986 -3.674 . . . . 0.0 112.901 -171.679 . . . . . . . . 1 1 . 1 . 018 ecloud orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.4 mm -70.79 -54.53 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.193 0 O-C-N 127.663 2.625 . . . . 0.0 107.302 -175.419 . . . . . . . . 1 1 . 1 . 018 ecloud orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -84.19 -24.13 49.1 Favored Glycine 1 C--O 1.165 -4.203 0 O-C-N 120.237 -1.539 . . . . 0.0 110.938 -171.064 . . . . . . . . 2 2 . 1 . 018 ecloud orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.51 -31.54 72.33 Favored 'General case' 1 N--CA 1.366 -4.647 0 O-C-N 119.56 -2.141 . . . . 0.0 114.539 168.1 . . . . . . . . 2 2 . 1 . 018 ecloud orig full ' A' A ' 7' ' ' LEU . . . . . 0.504 HD23 ' CE2' ' A' ' 8' ' ' PHE . 19.1 tp -77.53 -74.68 0.24 Allowed 'General case' 0 N--CA 1.487 1.392 0 CA-C-O 125.432 2.539 . . . . 0.0 110.331 169.299 . . . . . . . . 2 2 . 1 . 018 ecloud orig full ' A' A ' 8' ' ' PHE . . . . . 0.504 ' CE2' HD23 ' A' ' 7' ' ' LEU 0.262 12.0 m-85 -58.06 -39.15 77.76 Favored 'General case' 0 CA--C 1.476 -1.893 0 N-CA-C 119.03 2.974 . . . . 0.0 119.03 -167.064 . . . . . . . . 3 3 . 1 . 018 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 43.4 mt -84.72 -65.13 1.04 Allowed 'General case' 0 C--N 1.295 -1.793 0 CA-C-O 124.307 2.003 . . . . 0.0 111.727 172.032 . . . . . . . . 1 1 . 1 . 018 ecloud orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.47 -50.52 49.05 Favored Glycine 0 CA--C 1.464 -3.156 0 CA-C-O 124.929 2.405 . . . . 0.0 114.554 -162.309 . . . . . . . . 1 1 . 1 . 018 ecloud orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -89.23 -60.65 1.89 Allowed 'General case' 0 CA--C 1.503 -0.855 1 O-C-N 116.187 -4.126 . . . . 0.0 111.398 -175.81 . . . . . . . . 2 2 . 1 . 018 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' A' ' 12' ' ' LEU 0.296 55.7 mt -56.61 -54.68 43.23 Favored 'General case' 0 C--O 1.193 -1.909 0 C-N-CA 128.035 2.534 . . . . 0.0 110.018 176.697 . . . . . . . . 3 3 . 1 . 018 ecloud orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.66 -71.7 1.16 Allowed Glycine 1 C--N 1.437 6.17 0 O-C-N 119.702 -1.874 . . . . 0.0 116.595 179.851 . . . . . . . . 2 2 . 1 . 018 ecloud orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . 0.312 . . -77.32 -48.03 18.45 Favored 'General case' 0 N--CA 1.429 -1.507 0 CA-C-N 120.854 2.327 . . . . 0.0 111.92 -160.135 . . . . . . . . 2 2 . 1 . 018 ecloud orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.12 -32.69 72.25 Favored 'General case' 0 N--CA 1.511 2.622 0 C-N-CA 117.785 -1.566 . . . . 0.0 111.876 171.358 . . . . . . . . 1 1 . 1 . 018 ecloud orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.2 32.91 5.9 Favored Glycine 0 CA--C 1.469 -2.796 0 O-C-N 119.573 -1.955 . . . . 0.0 111.539 168.926 . . . . . . . . 1 1 . 1 . 018 ecloud orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.2 t -73.94 138.65 44.37 Favored 'General case' 0 C--N 1.373 1.588 1 O-C-N 116.012 -4.228 . . . . 0.0 111.15 178.837 . . . . . . . . 2 2 . 1 . 018 ecloud orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 55.7 m -85.96 134.43 33.87 Favored 'General case' 0 C--O 1.257 1.449 0 O-C-N 118.846 -2.408 . . . . 0.0 109.719 -177.948 . . . . . . . . 1 1 . 1 . 018 ecloud orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 13.2 ttt -80.12 -61.08 2.09 Favored 'General case' 0 CA--C 1.473 -2.01 1 C-N-CA 132.995 4.518 . . . . 0.0 115.461 177.728 . . . . . . . . 2 2 . 1 . 018 ecloud orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -167.63 -94.38 0.1 OUTLIER Glycine 0 CA--C 1.544 1.863 0 C-N-CA 117.045 -2.503 . . . . 0.0 112.336 156.048 . . . . . . . . 1 1 . 1 . 018 ecloud orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -161.88 139.45 8.72 Favored 'General case' 0 N--CA 1.419 -2.02 0 O-C-N 119.597 -2.12 . . . . 0.0 111.023 175.213 . . . . . . . . 1 1 . 1 . 018 ecloud orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 43.9 mtp180 -79.58 -85.01 0.09 Allowed 'General case' 0 C--O 1.186 -2.267 0 N-CA-C 116.081 1.882 . . . . 0.0 116.081 168.493 . . . . . . . . 1 1 . 1 . 018 ecloud orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.9 p -86.34 -46.38 10.34 Favored 'General case' 0 CA--C 1.579 2.081 0 O-C-N 119.599 -1.938 . . . . 0.0 107.043 176.512 . . . . . . . . 1 1 . 1 . 018 ecloud orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.572 0 O-C-N 119.446 -2.034 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 ecloud orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.528 3.427 0 N-CA-C 117.822 2.527 . . . . 0.0 117.822 . . . . . . . . . 0 0 . 1 . 019 ecloud orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.5 m -76.01 176.54 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.577 2.015 0 O-C-N 116.867 -3.646 . . . . 0.0 110.486 167.471 . . . . . . . . 1 1 . 1 . 019 ecloud orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.68 67.44 3.16 Favored Glycine 0 C--O 1.294 3.844 0 C-N-CA 125.59 1.566 . . . . 0.0 113.114 -171.462 . . . . . . . . 1 1 . 1 . 019 ecloud orig full ' A' A ' 4' ' ' ILE . . . . . 0.438 HD13 ' HA ' ' A' ' 4' ' ' ILE . 48.8 mm -67.8 -59.25 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 N-CA-C 118.35 2.722 . . . . 0.0 118.35 179.778 . . . . . . . . 2 2 . 1 . 019 ecloud orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -67.15 -33.01 81.82 Favored Glycine 0 N--CA 1.413 -2.862 0 CA-C-N 109.967 -3.288 . . . . 0.0 112.046 175.556 . . . . . . . . 1 1 . 1 . 019 ecloud orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.01 -38.36 75.93 Favored 'General case' 0 N--CA 1.41 -2.433 0 C-N-CA 127.124 2.17 . . . . 0.0 106.031 -175.613 . . . . . . . . 1 1 . 1 . 019 ecloud orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.276 6.9 tp -67.67 -63.32 1.08 Allowed 'General case' 0 C--O 1.198 -1.638 0 O-C-N 117.385 -3.322 . . . . 0.0 111.358 173.201 . . . . . . . . 2 2 . 1 . 019 ecloud orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -66.78 -64.38 0.87 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.38 1.872 . . . . 0.0 113.528 -170.188 . . . . . . . . 1 1 . 1 . 019 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 24.4 mt -75.8 -33.77 60.15 Favored 'General case' 0 C--O 1.243 0.731 0 C-N-CA 123.869 0.868 . . . . 0.0 110.665 -172.637 . . . . . . . . 1 1 . 1 . 019 ecloud orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.03 -58.64 1.09 Allowed Glycine 0 C--O 1.191 -2.561 0 N-CA-C 116.808 1.483 . . . . 0.0 116.808 -165.967 . . . . . . . . 1 1 . 1 . 019 ecloud orig full ' A' A ' 11' ' ' PHE . . . . . 0.429 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 2.1 t80 -75.97 -51.77 11.69 Favored 'General case' 0 CA--C 1.491 -1.292 0 C-N-CA 125.024 1.33 . . . . 0.0 113.327 179.681 . . . . . . . . 2 2 . 1 . 019 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . 0.482 HD23 ' HB3' ' A' ' 17' ' ' SER . 50.0 mt -77.18 -59.65 2.69 Favored 'General case' 0 C--N 1.385 2.138 0 C-N-CA 126.859 2.063 . . . . 0.0 108.577 -179.116 . . . . . . . . 2 2 . 1 . 019 ecloud orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.38 -83.52 0.05 OUTLIER Glycine 0 N--CA 1.51 3.582 0 CA-C-O 115.68 -2.733 . . . . 0.0 117.955 173.621 . . . . . . . . 1 1 . 1 . 019 ecloud orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.54 -54.41 28.44 Favored 'General case' 0 C--N 1.293 -1.886 0 CA-C-O 112.119 -3.8 . . . . 0.0 113.092 -173.55 . . . . . . . . 1 1 . 1 . 019 ecloud orig full ' A' A ' 15' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 11' ' ' PHE . . . -60.57 -83.69 0.01 OUTLIER 'General case' 0 C--O 1.21 -1.021 0 CA-C-N 122.896 2.589 . . . . 0.0 111.296 178.118 . . . . . . . . 2 2 . 1 . 019 ecloud orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 138.77 39.93 0.1 Allowed Glycine 0 N--CA 1.417 -2.606 0 C-N-CA 117.576 -2.25 . . . . 0.0 110.255 159.683 . . . . . . . . 1 1 . 1 . 019 ecloud orig full ' A' A ' 17' ' ' SER . . . . . 0.482 ' HB3' HD23 ' A' ' 12' ' ' LEU . 6.3 t -57.47 179.36 0.06 Allowed 'General case' 0 CA--C 1.491 -1.3 0 C-N-CA 131.612 3.965 . . . . 0.0 113.491 169.098 . . . . . . . . 2 2 . 1 . 019 ecloud orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 92.9 m -116.87 123.53 47.26 Favored 'General case' 0 N--CA 1.401 -2.912 0 C-N-CA 129.466 3.106 . . . . 0.0 107.745 -164.38 . . . . . . . . 1 1 . 1 . 019 ecloud orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 29.7 ttp -93.93 -52.82 4.25 Favored 'General case' 0 C--O 1.257 1.476 0 CA-C-O 124.181 1.943 . . . . 0.0 113.459 166.507 . . . . . . . . 1 1 . 1 . 019 ecloud orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -160.25 -124.76 0.75 Allowed Glycine 0 CA--C 1.497 -1.058 0 N-CA-C 103.381 -3.887 . . . . 0.0 103.381 172.111 . . . . . . . . 1 1 . 1 . 019 ecloud orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -155.82 165.45 36.47 Favored 'General case' 1 N--CA 1.376 -4.127 0 O-C-N 119.31 -2.288 . . . . 0.0 110.45 166.199 . . . . . . . . 2 2 . 1 . 019 ecloud orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -100.92 -103.97 0.25 Allowed 'General case' 0 N--CA 1.41 -2.432 0 N-CA-C 105.977 -1.86 . . . . 0.0 105.977 -168.929 . . . . . . . . 1 1 . 1 . 019 ecloud orig full ' A' A ' 23' ' ' SER . . . . . 0.424 ' HG ' ' HN1' ' A' ' 24' ' ' NH2 . 77.5 p -54.82 -86.2 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 117.823 2.527 . . . . 0.0 117.823 -160.162 . . . . . . . . 2 2 . 1 . 019 ecloud orig full ' A' A ' 24' ' ' NH2 . . . . . 0.424 ' HN1' ' HG ' ' A' ' 23' ' ' SER . . . . . . . . 0 C--N 1.317 -0.825 0 CA-C-N 122.667 2.485 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 ecloud build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 17.8 t . . . . . 0 CA--C 1.466 -2.287 0 CA-C-O 118.218 -0.896 . . . . 0.0 111.961 . . . . . . . . . 0 0 . 1 . 001 ecloud build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.38 82.21 0.01 OUTLIER Glycine 0 C--O 1.259 1.718 0 N-CA-C 122.78 3.872 . . . . 0.0 122.78 -162.737 . . . . . . . . 1 1 . 1 . 001 ecloud build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.3 mm -71.85 -56.77 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 C-N-CA 130.796 3.638 . . . . 0.0 113.211 173.052 . . . . . . . . 1 1 . 1 . 001 ecloud build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -62.86 -29.15 73.21 Favored Glycine 1 N--CA 1.532 5.045 0 C-N-CA 125.389 1.471 . . . . 0.0 115.011 167.676 . . . . . . . . 2 2 . 1 . 001 ecloud build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.89 -44.23 27.74 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 120.754 3.613 . . . . 0.0 120.754 174.917 . . . . . . . . 1 1 . 1 . 001 ecloud build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 24.1 tp -66.86 -60.61 2.51 Favored 'General case' 0 C--O 1.197 -1.705 0 CA-C-N 122.641 2.473 . . . . 0.0 117.357 174.879 . . . . . . . . 1 1 . 1 . 001 ecloud build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -72.34 -64.74 0.89 Allowed 'General case' 0 N--CA 1.506 2.332 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 -178.202 . . . . . . . . 1 1 . 1 . 001 ecloud build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.9 mt -70.99 -47.08 60.85 Favored 'General case' 0 C--O 1.262 1.74 0 CA-C-O 116.175 -1.869 . . . . 0.0 109.62 -174.995 . . . . . . . . 1 1 . 1 . 001 ecloud build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -74.29 -70.22 1.28 Allowed Glycine 0 CA--C 1.56 2.877 0 CA-C-O 117.98 -1.456 . . . . 0.0 112.849 -176.871 . . . . . . . . 1 1 . 1 . 001 ecloud build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -68.62 -45.97 70.51 Favored 'General case' 0 CA--C 1.495 -1.165 0 N-CA-C 117.957 2.577 . . . . 0.0 117.957 -172.531 . . . . . . . . 1 1 . 1 . 001 ecloud build core ' A' A ' 12' ' ' LEU . . . . . 0.46 HD23 ' HB3' ' A' ' 17' ' ' SER . 23.8 mt -84.29 -53.7 5.3 Favored 'General case' 0 C--N 1.313 -1.001 0 O-C-N 120.131 -1.605 . . . . 0.0 109.351 176.404 . . . . . . . . 2 2 . 1 . 001 ecloud build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -54.46 -79.16 0.09 OUTLIER Glycine 0 N--CA 1.472 1.066 1 C-N-CA 133.045 5.117 . . . . 0.0 112.794 179.428 . . . . . . . . 2 2 . 1 . 001 ecloud build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . 0.267 . . -71.02 -40.25 71.88 Favored 'General case' 0 C--O 1.202 -1.433 1 O-C-N 116.322 -4.046 . . . . 0.0 114.208 -171.832 . . . . . . . . 3 2 . 1 . 001 ecloud build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.29 -89.98 0.17 Allowed 'General case' 0 N--CA 1.401 -2.895 0 O-C-N 119.666 -1.896 . . . . 0.0 113.317 -178.847 . . . . . . . . 1 1 . 1 . 001 ecloud build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 150.02 128.19 1.57 Allowed Glycine 0 CA--C 1.56 2.888 0 CA-C-O 125.141 2.523 . . . . 0.0 109.469 -172.832 . . . . . . . . 1 1 . 1 . 001 ecloud build core ' A' A ' 17' ' ' SER . . . . . 0.46 ' HB3' HD23 ' A' ' 12' ' ' LEU . 47.5 t -150.02 164.28 35.94 Favored 'General case' 0 C--O 1.204 -1.337 0 CA-C-N 112.367 -1.917 . . . . 0.0 108.09 160.744 . . . . . . . . 2 2 . 1 . 001 ecloud build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 86.7 m -89.37 106.38 18.41 Favored 'General case' 0 C--N 1.391 2.389 0 CA-C-O 123.188 1.471 . . . . 0.0 113.031 165.851 . . . . . . . . 1 1 . 1 . 001 ecloud build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 26.2 ttt -70.96 -50.82 30.31 Favored 'General case' 0 N--CA 1.412 -2.374 0 C-N-CA 127.512 2.325 . . . . 0.0 112.422 168.285 . . . . . . . . 1 1 . 1 . 001 ecloud build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.527 0 CA-C-O 124.814 2.341 . . . . 0.0 111.167 177.965 . . . . . . . . 0 0 . 1 . 002 ecloud build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 19.2 m . . . . . 0 N--CA 1.508 2.453 0 N-CA-C 121.28 3.808 . . . . 0.0 121.28 . . . . . . . . . 0 0 . 1 . 002 ecloud build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -90.32 69.92 2.26 Favored Glycine 0 C--O 1.188 -2.719 0 C-N-CA 116.408 -2.806 . . . . 0.0 116.474 -171.964 . . . . . . . . 1 1 . 1 . 002 ecloud build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.9 mm -59.15 -58.37 7.24 Favored 'Isoleucine or valine' 0 N--CA 1.401 -2.877 0 C-N-CA 130.856 3.663 . . . . 0.0 112.927 -174.362 . . . . . . . . 1 1 . 1 . 002 ecloud build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -76.13 -17.01 80.28 Favored Glycine 0 C--N 1.363 2.081 0 O-C-N 120.014 -1.679 . . . . 0.0 113.462 179.446 . . . . . . . . 1 1 . 1 . 002 ecloud build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.47 -43.53 98.59 Favored 'General case' 0 C--N 1.36 1.031 0 O-C-N 118.595 -2.709 . . . . 0.0 114.115 169.007 . . . . . . . . 1 1 . 1 . 002 ecloud build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.288 41.5 tp -75.85 -61.99 1.74 Allowed 'General case' 1 N--CA 1.373 -4.29 0 O-C-N 119.386 -2.071 . . . . 0.0 106.984 178.139 . . . . . . . . 3 2 . 1 . 002 ecloud build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.287 27.8 m-85 -68.46 -56.16 9.36 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 116.926 2.195 . . . . 0.0 116.926 -167.136 . . . . . . . . 2 2 . 1 . 002 ecloud build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.8 mt -78.77 -34.69 45.41 Favored 'General case' 0 C--O 1.188 -2.176 0 CA-C-N 120.455 1.48 . . . . 0.0 113.873 169.064 . . . . . . . . 1 1 . 1 . 002 ecloud build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -79.56 -64.04 1.94 Allowed Glycine 0 N--CA 1.51 3.581 0 N-CA-C 111.411 -0.676 . . . . 0.0 111.411 -169.926 . . . . . . . . 1 1 . 1 . 002 ecloud build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -79.78 -46.69 16.51 Favored 'General case' 0 C--N 1.373 1.602 0 CA-C-O 121.887 0.851 . . . . 0.0 111.744 -172.022 . . . . . . . . 1 1 . 1 . 002 ecloud build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.1 mt -87.7 -44.63 11.03 Favored 'General case' 0 C--N 1.386 2.162 0 C-N-CA 125.52 1.528 . . . . 0.0 112.518 -174.138 . . . . . . . . 1 1 . 1 . 002 ecloud build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.23 -69.67 1.36 Allowed Glycine 0 N--CA 1.47 0.933 0 C-N-CA 119.524 -1.322 . . . . 0.0 114.738 -175.516 . . . . . . . . 1 1 . 1 . 002 ecloud build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.6 -70.77 0.35 Allowed 'General case' 0 CA--C 1.486 -1.487 0 N-CA-C 116.169 1.914 . . . . 0.0 116.169 175.448 . . . . . . . . 1 1 . 1 . 002 ecloud build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.89 -43.93 94.51 Favored 'General case' 0 CA--C 1.568 1.667 1 O-C-N 116.008 -4.183 . . . . 0.0 109.823 -170.998 . . . . . . . . 2 2 . 1 . 002 ecloud build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.14 120.45 4.51 Favored Glycine 0 C--N 1.396 3.895 0 O-C-N 117.867 -3.021 . . . . 0.0 106.613 165.084 . . . . . . . . 1 1 . 1 . 002 ecloud build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.5 t -145.37 -141.56 0.12 Allowed 'General case' 0 C--O 1.243 0.759 0 CA-C-O 114.108 -2.853 . . . . 0.0 109.352 -179.563 . . . . . . . . 1 1 . 1 . 002 ecloud build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 92.9 m -127.66 111.93 14.28 Favored 'General case' 0 C--N 1.285 -2.198 0 CA-C-N 123.132 2.696 . . . . 0.0 109.198 -166.795 . . . . . . . . 1 1 . 1 . 002 ecloud build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 11.4 ttt -91.25 -100.74 0.11 Allowed 'General case' 0 CA--C 1.559 1.305 0 O-C-N 119.113 -2.242 . . . . 0.0 109.556 179.541 . . . . . . . . 1 1 . 1 . 002 ecloud build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.66 0 CA-C-O 115.714 -2.714 . . . . 0.0 113.467 -174.944 . . . . . . . . 0 0 . 1 . 003 ecloud build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.8 m . . . . . 0 CA--C 1.562 1.412 0 CA-C-O 123.017 1.389 . . . . 0.0 113.471 . . . . . . . . . 0 0 . 1 . 003 ecloud build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -84.61 77.17 2.14 Favored Glycine 0 C--O 1.203 -1.821 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 -171.34 . . . . . . . . 1 1 . 1 . 003 ecloud build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 47.4 mm -62.55 -50.11 81.14 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.983 0 C-N-CA 130.071 3.348 . . . . 0.0 108.332 -178.32 . . . . . . . . 1 1 . 1 . 003 ecloud build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -79.84 -35.2 28.75 Favored Glycine 0 C--O 1.173 -3.666 0 O-C-N 119.876 -1.765 . . . . 0.0 109.502 -177.236 . . . . . . . . 1 1 . 1 . 003 ecloud build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.83 -52.25 21.55 Favored 'General case' 0 C--N 1.309 -1.195 0 C-N-CA 128.649 2.78 . . . . 0.0 113.231 -171.751 . . . . . . . . 1 1 . 1 . 003 ecloud build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.4 tp -68.37 -59.05 3.47 Favored 'General case' 0 N--CA 1.499 2.017 0 CA-C-O 125.651 2.643 . . . . 0.0 114.23 173.548 . . . . . . . . 1 1 . 1 . 003 ecloud build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -76.23 -47.16 24.95 Favored 'General case' 0 C--N 1.373 1.625 1 O-C-N 114.49 -5.131 . . . . 0.0 113.898 -171.381 . . . . . . . . 2 2 . 1 . 003 ecloud build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 27.2 mt -92.23 -36.47 13.23 Favored 'General case' 0 C--O 1.211 -0.955 0 O-C-N 118.79 -2.444 . . . . 0.0 110.265 -173.364 . . . . . . . . 1 1 . 1 . 003 ecloud build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.03 -69.5 1.39 Allowed Glycine 0 C--N 1.373 2.599 0 O-C-N 117.509 -3.245 . . . . 0.0 107.805 -176.622 . . . . . . . . 1 1 . 1 . 003 ecloud build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -80.68 -65.06 1.06 Allowed 'General case' 0 C--O 1.18 -2.56 0 N-CA-C 114.625 1.343 . . . . 0.0 114.625 -175.304 . . . . . . . . 1 1 . 1 . 003 ecloud build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.6 mt -62.27 -34.02 75.75 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 118.914 -2.366 . . . . 0.0 113.699 -175.235 . . . . . . . . 1 1 . 1 . 003 ecloud build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.71 -75.05 1.2 Allowed Glycine 0 C--O 1.187 -2.84 0 CA-C-O 126.596 3.331 . . . . 0.0 120.213 176.136 . . . . . . . . 1 1 . 1 . 003 ecloud build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.33 -46.48 66.97 Favored 'General case' 0 C--O 1.255 1.364 0 O-C-N 118.17 -2.959 . . . . 0.0 112.504 -171.367 . . . . . . . . 1 1 . 1 . 003 ecloud build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.43 -42.98 11.19 Favored 'General case' 0 C--O 1.189 -2.115 0 N-CA-C 105.873 -1.899 . . . . 0.0 105.873 -173.445 . . . . . . . . 1 1 . 1 . 003 ecloud build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 105.8 140.16 9.96 Favored Glycine 0 C--N 1.368 2.333 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.684 160.848 . . . . . . . . 1 1 . 1 . 003 ecloud build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.9 t -161.38 161.36 30.32 Favored 'General case' 0 N--CA 1.506 2.374 0 CA-C-O 124.208 1.956 . . . . 0.0 109.482 171.881 . . . . . . . . 1 1 . 1 . 003 ecloud build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 88.9 m -66.63 120.55 13.64 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 118.462 -2.649 . . . . 0.0 108.126 167.986 . . . . . . . . 1 1 . 1 . 003 ecloud build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 24.8 ttt -95.03 -41.98 8.86 Favored 'General case' 0 N--CA 1.401 -2.918 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 -179.939 . . . . . . . . 1 1 . 1 . 003 ecloud build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.398 -3.856 0 C-N-CA 125.693 1.616 . . . . 0.0 111.848 179.884 . . . . . . . . 0 0 . 1 . 004 ecloud build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.5 m . . . . . 0 C--O 1.285 2.969 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 . . . . . . . . . 0 0 . 1 . 004 ecloud build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -81.33 92.44 1.49 Allowed Glycine 0 N--CA 1.441 -0.978 0 O-C-N 127.353 2.908 . . . . 0.0 108.514 174.946 . . . . . . . . 1 1 . 1 . 004 ecloud build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.0 mm -69.44 -32.88 54.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 CA-C-O 122.675 1.226 . . . . 0.0 108.743 -176.145 . . . . . . . . 1 1 . 1 . 004 ecloud build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.2 -55.4 7.04 Favored Glycine 0 CA--C 1.47 -2.734 0 CA-C-N 114.133 -1.394 . . . . 0.0 115.445 177.315 . . . . . . . . 1 1 . 1 . 004 ecloud build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.92 -49.93 75.47 Favored 'General case' 0 C--O 1.196 -1.744 0 O-C-N 118.383 -2.833 . . . . 0.0 114.043 -171.091 . . . . . . . . 1 1 . 1 . 004 ecloud build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 23.0 tp -66.62 -61.88 1.75 Allowed 'General case' 0 C--O 1.258 1.525 0 CA-C-O 118.084 -0.96 . . . . 0.0 110.158 -176.239 . . . . . . . . 1 1 . 1 . 004 ecloud build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -74.83 -60.49 2.26 Favored 'General case' 0 CA--C 1.478 -1.819 0 CA-C-O 115.886 -2.007 . . . . 0.0 111.75 -173.399 . . . . . . . . 1 1 . 1 . 004 ecloud build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 24.4 mt -73.62 -34.63 65.1 Favored 'General case' 0 C--N 1.28 -2.436 0 N-CA-C 118.434 2.753 . . . . 0.0 118.434 178.241 . . . . . . . . 1 1 . 1 . 004 ecloud build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -79.83 -57.88 2.96 Favored Glycine 0 C--N 1.31 -0.889 0 CA-C-N 114.517 -1.219 . . . . 0.0 114.189 -176.843 . . . . . . . . 1 1 . 1 . 004 ecloud build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -85.1 -52.37 6.0 Favored 'General case' 0 C--O 1.285 2.95 0 O-C-N 119.845 -1.973 . . . . 0.0 109.882 -169.523 . . . . . . . . 1 1 . 1 . 004 ecloud build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.7 mt -83.97 -26.45 29.23 Favored 'General case' 0 CA--C 1.475 -1.942 0 CA-C-O 122.869 1.319 . . . . 0.0 112.618 -172.455 . . . . . . . . 1 1 . 1 . 004 ecloud build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -90.69 -60.55 1.35 Allowed Glycine 0 N--CA 1.413 -2.872 1 N-CA-C 123.749 4.26 . . . . 0.0 123.749 175.046 . . . . . . . . 2 2 . 1 . 004 ecloud build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.82 -52.98 11.3 Favored 'General case' 0 C--O 1.275 2.423 0 O-C-N 119.67 -2.077 . . . . 0.0 111.723 179.703 . . . . . . . . 1 1 . 1 . 004 ecloud build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.32 -58.56 5.61 Favored 'General case' 0 C--N 1.357 0.919 0 O-C-N 118.168 -2.832 . . . . 0.0 112.233 -177.361 . . . . . . . . 1 1 . 1 . 004 ecloud build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 117.97 45.34 0.5 Allowed Glycine 0 N--CA 1.404 -3.444 0 CA-C-O 115.838 -2.645 . . . . 0.0 118.619 175.162 . . . . . . . . 1 1 . 1 . 004 ecloud build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.5 t -77.43 -172.17 2.4 Favored 'General case' 0 C--O 1.268 2.034 0 C-N-CA 112.814 -3.554 . . . . 0.0 116.819 175.925 . . . . . . . . 1 1 . 1 . 004 ecloud build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.2 m -111.0 90.26 3.28 Favored 'General case' 0 C--N 1.377 1.778 0 C-N-CA 125.556 1.542 . . . . 0.0 108.938 -168.084 . . . . . . . . 1 1 . 1 . 004 ecloud build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.7 ttp -78.03 -48.55 15.89 Favored 'General case' 0 C--N 1.364 1.206 0 O-C-N 119.19 -2.194 . . . . 0.0 106.786 173.254 . . . . . . . . 1 1 . 1 . 004 ecloud build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.532 0 CA-C-O 125.177 2.543 . . . . 0.0 112.003 155.958 . . . . . . . . 0 0 . 1 . 005 ecloud build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.269 2.124 0 CA-C-O 123.979 1.847 . . . . 0.0 106.268 . . . . . . . . . 0 0 . 1 . 005 ecloud build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -77.96 100.11 1.58 Allowed Glycine 0 CA--C 1.542 1.77 0 N-CA-C 119.468 2.547 . . . . 0.0 119.468 159.303 . . . . . . . . 1 1 . 1 . 005 ecloud build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 50.5 mm -79.73 -50.69 17.53 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.379 0 O-C-N 118.996 -2.473 . . . . 0.0 113.72 177.782 . . . . . . . . 1 1 . 1 . 005 ecloud build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -76.58 -33.58 47.11 Favored Glycine 0 N--CA 1.477 1.384 0 O-C-N 117.055 -3.528 . . . . 0.0 109.222 177.594 . . . . . . . . 1 1 . 1 . 005 ecloud build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.98 -33.27 62.32 Favored 'General case' 0 N--CA 1.409 -2.489 0 C-N-CA 131.058 3.743 . . . . 0.0 117.138 166.656 . . . . . . . . 1 1 . 1 . 005 ecloud build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.5 tp -71.17 -66.71 0.58 Allowed 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 126.708 2.003 . . . . 0.0 110.612 166.668 . . . . . . . . 1 1 . 1 . 005 ecloud build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.286 40.9 m-85 -61.27 -56.79 16.5 Favored 'General case' 0 N--CA 1.427 -1.588 0 N-CA-C 117.954 2.576 . . . . 0.0 117.954 -167.951 . . . . . . . . 2 2 . 1 . 005 ecloud build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.8 mt -94.25 -36.01 12.19 Favored 'General case' 0 N--CA 1.412 -2.331 0 CA-C-N 110.507 -3.042 . . . . 0.0 107.68 -169.381 . . . . . . . . 1 1 . 1 . 005 ecloud build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.15 -59.3 2.44 Favored Glycine 0 C--N 1.385 3.27 0 O-C-N 127.546 3.029 . . . . 0.0 111.859 -177.828 . . . . . . . . 1 1 . 1 . 005 ecloud build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -83.34 -43.06 16.37 Favored 'General case' 0 CA--C 1.498 -1.04 0 O-C-N 119.409 -2.23 . . . . 0.0 113.268 -172.917 . . . . . . . . 1 1 . 1 . 005 ecloud build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.5 mt -81.74 -39.26 24.46 Favored 'General case' 0 C--N 1.363 1.19 0 N-CA-C 116.791 2.145 . . . . 0.0 116.791 -179.585 . . . . . . . . 1 1 . 1 . 005 ecloud build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.66 -82.78 0.46 Allowed Glycine 0 N--CA 1.425 -2.06 0 C-N-CA 129.159 3.266 . . . . 0.0 113.833 175.821 . . . . . . . . 1 1 . 1 . 005 ecloud build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . 0.304 . . -50.13 -60.08 3.3 Favored 'General case' 1 N--CA 1.377 -4.084 1 C-N-CA 132.818 4.447 . . . . 0.0 111.25 -172.483 . . . . . . . . 4 2 . 1 . 005 ecloud build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.83 -68.75 0.51 Allowed 'General case' 0 C--N 1.376 1.722 0 CA-C-N 111.796 -2.457 . . . . 0.0 114.983 -177.528 . . . . . . . . 1 1 . 1 . 005 ecloud build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 132.07 53.6 0.09 OUTLIER Glycine 0 C--N 1.387 3.391 1 O-C-N 114.717 -4.989 . . . . 0.0 113.807 159.596 . . . . . . . . 2 2 . 1 . 005 ecloud build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.8 t -91.45 144.9 25.09 Favored 'General case' 0 C--N 1.38 1.914 0 C-N-CA 118.276 -1.369 . . . . 0.0 110.631 162.682 . . . . . . . . 1 1 . 1 . 005 ecloud build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 63.5 m -73.08 126.58 30.34 Favored 'General case' 0 N--CA 1.509 2.492 0 N-CA-C 106.599 -1.63 . . . . 0.0 106.599 -179.445 . . . . . . . . 1 1 . 1 . 005 ecloud build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 25.7 ttt -84.72 -52.48 6.04 Favored 'General case' 0 CA--C 1.486 -1.506 0 C-N-CA 126.061 1.744 . . . . 0.0 114.165 159.827 . . . . . . . . 1 1 . 1 . 005 ecloud build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.373 2.617 0 O-C-N 119.696 -1.878 . . . . 0.0 111.406 176.985 . . . . . . . . 0 0 . 1 . 006 ecloud build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.0 m . . . . . 0 CA--C 1.476 -1.902 0 CA-C-O 124.777 2.227 . . . . 0.0 107.208 . . . . . . . . . 0 0 . 1 . 006 ecloud build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.04 93.04 0.85 Allowed Glycine 0 C--N 1.35 1.346 0 O-C-N 119.267 -2.146 . . . . 0.0 117.902 172.522 . . . . . . . . 1 1 . 1 . 006 ecloud build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 16.3 mm -53.92 -63.24 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.285 -2.196 0 CA-C-O 115.076 -2.392 . . . . 0.0 116.655 172.089 . . . . . . . . 1 1 . 1 . 006 ecloud build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -62.34 -40.07 98.57 Favored Glycine 0 C--N 1.358 1.784 0 CA-C-O 127.452 3.807 . . . . 0.0 116.089 171.856 . . . . . . . . 1 1 . 1 . 006 ecloud build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -41.39 -48.45 3.74 Favored 'General case' 0 C--N 1.375 1.702 0 O-C-N 116.828 -3.748 . . . . 0.0 116.818 169.014 . . . . . . . . 1 1 . 1 . 006 ecloud build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.331 25.9 tp -84.86 -53.11 5.55 Favored 'General case' 0 CA--C 1.593 2.613 0 CA-C-O 121.7 0.762 . . . . 0.0 110.716 177.151 . . . . . . . . 2 2 . 1 . 006 ecloud build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -70.12 -46.48 64.71 Favored 'General case' 0 N--CA 1.422 -1.874 0 O-C-N 119.628 -1.92 . . . . 0.0 113.293 -168.363 . . . . . . . . 1 1 . 1 . 006 ecloud build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.7 mt -82.89 -50.14 8.92 Favored 'General case' 0 C--N 1.39 2.331 0 C-N-CA 128.802 2.841 . . . . 0.0 114.932 178.175 . . . . . . . . 1 1 . 1 . 006 ecloud build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.66 -70.55 0.93 Allowed Glycine 1 C--N 1.404 4.345 0 C-N-CA 127.856 2.646 . . . . 0.0 114.676 171.372 . . . . . . . . 2 2 . 1 . 006 ecloud build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -84.65 -53.49 5.35 Favored 'General case' 0 CA--C 1.5 -0.947 0 N-CA-C 120.099 3.37 . . . . 0.0 120.099 -165.65 . . . . . . . . 1 1 . 1 . 006 ecloud build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.8 mt -70.79 -56.08 7.14 Favored 'General case' 0 N--CA 1.408 -2.529 0 CA-C-O 124.32 2.01 . . . . 0.0 110.261 172.293 . . . . . . . . 1 1 . 1 . 006 ecloud build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.0 -88.76 0.02 OUTLIER Glycine 0 CA--C 1.558 2.746 1 O-C-N 115.328 -4.607 . . . . 0.0 116.192 171.288 . . . . . . . . 2 2 . 1 . 006 ecloud build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.74 -59.05 5.06 Favored 'General case' 0 CA--C 1.582 2.185 0 CA-C-N 119.03 1.415 . . . . 0.0 113.949 -166.203 . . . . . . . . 1 1 . 1 . 006 ecloud build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.28 -60.66 2.95 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 116.712 2.115 . . . . 0.0 116.712 170.617 . . . . . . . . 1 1 . 1 . 006 ecloud build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.5 46.45 1.67 Allowed Glycine 0 C--N 1.391 3.629 0 N-CA-C 117.536 1.774 . . . . 0.0 117.536 171.955 . . . . . . . . 1 1 . 1 . 006 ecloud build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.8 t -77.61 170.22 16.94 Favored 'General case' 0 CA--C 1.571 1.776 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 159.641 . . . . . . . . 1 1 . 1 . 006 ecloud build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.2 m -99.44 138.31 36.71 Favored 'General case' 0 C--O 1.249 1.063 0 CA-C-O 125.615 2.626 . . . . 0.0 111.121 -167.624 . . . . . . . . 1 1 . 1 . 006 ecloud build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 7.7 ttt -95.59 -64.87 1.02 Allowed 'General case' 0 C--O 1.212 -0.882 0 CA-C-N 113.005 -1.907 . . . . 0.0 109.633 176.349 . . . . . . . . 1 1 . 1 . 006 ecloud build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.284 -2.31 1 C-N-CA 131.373 4.32 . . . . 0.0 112.39 -168.912 . . . . . . . . 1 1 . 1 . 007 ecloud build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.238 0.467 0 CA-C-O 124.448 2.07 . . . . 0.0 113.627 . . . . . . . . . 1 1 . 1 . 007 ecloud build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -95.56 82.94 0.86 Allowed Glycine 0 CA--C 1.462 -3.244 0 C-N-CA 127.584 2.516 . . . . 0.0 117.45 165.665 . . . . . . . . 1 1 . 1 . 007 ecloud build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.0 mm -59.98 -62.18 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 129.411 3.084 . . . . 0.0 110.451 174.333 . . . . . . . . 1 1 . 1 . 007 ecloud build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.0 -30.26 68.03 Favored Glycine 0 CA--C 1.463 -3.179 0 C-N-CA 116.492 -2.766 . . . . 0.0 112.126 -173.306 . . . . . . . . 1 1 . 1 . 007 ecloud build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.43 -37.05 82.11 Favored 'General case' 0 C--N 1.367 1.358 1 CA-C-O 129.145 4.307 . . . . 0.0 110.701 -175.529 . . . . . . . . 2 2 . 1 . 007 ecloud build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 52.2 tp -81.09 -71.32 0.48 Allowed 'General case' 0 C--N 1.368 1.409 0 O-C-N 118.225 -2.797 . . . . 0.0 108.495 178.297 . . . . . . . . 1 1 . 1 . 007 ecloud build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -67.71 -48.46 66.46 Favored 'General case' 0 N--CA 1.534 3.734 0 O-C-N 118.255 -2.778 . . . . 0.0 110.486 -168.826 . . . . . . . . 1 1 . 1 . 007 ecloud build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.7 mt -90.58 -31.73 16.58 Favored 'General case' 0 N--CA 1.398 -3.044 1 O-C-N 113.114 -5.991 . . . . 0.0 109.511 -173.072 . . . . . . . . 2 2 . 1 . 007 ecloud build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.81 -74.15 1.28 Allowed Glycine 0 C--N 1.38 3.005 0 CA-C-N 118.676 0.671 . . . . 0.0 113.844 173.965 . . . . . . . . 1 1 . 1 . 007 ecloud build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -74.64 -39.18 62.24 Favored 'General case' 0 CA--C 1.577 1.986 0 O-C-N 117.577 -3.307 . . . . 0.0 107.106 -157.162 . . . . . . . . 1 1 . 1 . 007 ecloud build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.3 mt -83.76 -47.18 11.43 Favored 'General case' 0 N--CA 1.408 -2.534 0 CA-C-N 114.109 -1.405 . . . . 0.0 112.064 -178.413 . . . . . . . . 1 1 . 1 . 007 ecloud build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.37 -84.91 0.1 OUTLIER Glycine 1 CA--C 1.437 -4.842 0 CA-C-O 126.917 3.509 . . . . 0.0 115.247 -176.67 . . . . . . . . 2 2 . 1 . 007 ecloud build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.06 -32.78 44.94 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 117.407 -3.408 . . . . 0.0 112.338 -169.161 . . . . . . . . 1 1 . 1 . 007 ecloud build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.37 -66.68 0.59 Allowed 'General case' 0 C--O 1.195 -1.795 0 CA-C-O 123.561 1.648 . . . . 0.0 113.18 175.477 . . . . . . . . 1 1 . 1 . 007 ecloud build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.76 47.85 0.24 Allowed Glycine 0 C--N 1.38 3.007 0 O-C-N 117.17 -3.457 . . . . 0.0 112.162 161.382 . . . . . . . . 1 1 . 1 . 007 ecloud build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.8 m -84.96 153.7 22.63 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 113.803 -3.159 . . . . 0.0 106.569 174.634 . . . . . . . . 1 1 . 1 . 007 ecloud build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . 0.264 62.6 m -60.04 122.28 13.95 Favored 'General case' 0 N--CA 1.416 -2.16 0 O-C-N 117.46 -3.275 . . . . 0.0 114.344 -178.11 . . . . . . . . 2 2 . 1 . 007 ecloud build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 6.0 ttt -103.44 -95.36 0.31 Allowed 'General case' 0 CA--C 1.459 -2.525 0 C-N-CA 126.435 1.894 . . . . 0.0 108.477 -174.164 . . . . . . . . 1 1 . 1 . 007 ecloud build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.187 -2.819 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 173.155 . . . . . . . . 0 0 . 1 . 008 ecloud build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.476 0.835 0 CA-C-O 120.881 0.372 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 008 ecloud build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.88 77.66 1.77 Allowed Glycine 0 N--CA 1.486 1.989 0 C-N-CA 127.028 2.251 . . . . 0.0 112.462 -169.177 . . . . . . . . 1 1 . 1 . 008 ecloud build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 36.8 mm -63.55 -54.2 35.43 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.339 0 O-C-N 118.037 -3.037 . . . . 0.0 107.495 179.963 . . . . . . . . 1 1 . 1 . 008 ecloud build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.11 -34.88 50.93 Favored Glycine 0 C--N 1.394 3.782 0 CA-C-O 117.758 -1.579 . . . . 0.0 112.035 -178.652 . . . . . . . . 1 1 . 1 . 008 ecloud build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -46.78 -39.23 11.4 Favored 'General case' 0 CA--C 1.594 2.669 0 CA-C-N 119.778 1.789 . . . . 0.0 115.6 162.83 . . . . . . . . 1 1 . 1 . 008 ecloud build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 19.7 tp -78.12 -58.32 3.32 Favored 'General case' 0 N--CA 1.404 -2.762 0 CA-C-O 124.312 2.006 . . . . 0.0 109.846 177.908 . . . . . . . . 1 1 . 1 . 008 ecloud build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.288 15.2 m-85 -65.29 -59.22 4.29 Favored 'General case' 0 CA--C 1.552 1.056 0 O-C-N 117.39 -3.319 . . . . 0.0 111.439 -168.557 . . . . . . . . 2 2 . 1 . 008 ecloud build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 84.5 mt -79.46 -39.99 30.91 Favored 'General case' 0 N--CA 1.439 -1.022 1 O-C-N 115.477 -4.514 . . . . 0.0 114.141 -179.165 . . . . . . . . 2 2 . 1 . 008 ecloud build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.68 -72.94 1.02 Allowed Glycine 1 C--N 1.418 5.121 0 N-CA-C 117.389 1.716 . . . . 0.0 117.389 179.855 . . . . . . . . 2 2 . 1 . 008 ecloud build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -71.9 -51.48 22.03 Favored 'General case' 0 C--N 1.362 1.143 0 C-N-CA 127.153 2.181 . . . . 0.0 109.001 -165.495 . . . . . . . . 1 1 . 1 . 008 ecloud build core ' A' A ' 12' ' ' LEU . . . . . 0.536 HD22 ' HB2' ' A' ' 19' ' ' MET . 78.2 mt -57.9 -81.92 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.745 0 O-C-N 119.632 -1.917 . . . . 0.0 114.871 166.006 . . . . . . . . 2 2 . 1 . 008 ecloud build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -43.38 -65.27 1.54 Allowed Glycine 0 C--N 1.387 3.368 1 N-CA-C 123.748 4.259 . . . . 0.0 123.748 178.354 . . . . . . . . 2 2 . 1 . 008 ecloud build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.78 -57.06 4.68 Favored 'General case' 0 C--N 1.364 1.203 0 O-C-N 116.809 -3.759 . . . . 0.0 115.181 178.501 . . . . . . . . 1 1 . 1 . 008 ecloud build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . 0.267 . . -62.66 -88.43 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.513 0 O-C-N 120.444 -1.41 . . . . 0.0 113.693 -178.624 . . . . . . . . 2 2 . 1 . 008 ecloud build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 165.78 -2.03 0.05 OUTLIER Glycine 0 C--O 1.203 -1.831 1 C-N-CA 112.796 -4.526 . . . . 0.0 113.302 -162.523 . . . . . . . . 2 2 . 1 . 008 ecloud build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.9 m -81.03 126.19 31.11 Favored 'General case' 0 C--O 1.167 -3.289 0 CA-C-N 118.431 1.116 . . . . 0.0 113.501 -171.551 . . . . . . . . 1 1 . 1 . 008 ecloud build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 85.2 m -60.17 117.61 5.35 Favored 'General case' 0 C--O 1.268 2.057 0 N-CA-C 115.871 1.804 . . . . 0.0 115.871 -178.704 . . . . . . . . 1 1 . 1 . 008 ecloud build core ' A' A ' 19' ' ' MET . . . . . 0.536 ' HB2' HD22 ' A' ' 12' ' ' LEU . 40.5 ttp -84.62 -47.34 10.62 Favored 'General case' 0 C--O 1.244 0.764 0 O-C-N 119.104 -2.248 . . . . 0.0 108.754 163.367 . . . . . . . . 2 2 . 1 . 008 ecloud build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.265 2.053 0 CA-C-O 114.573 -3.349 . . . . 0.0 113.634 170.743 . . . . . . . . 0 0 . 1 . 009 ecloud build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.2 m . . . . . 0 CA--C 1.553 1.058 0 N-CA-C 115.393 1.627 . . . . 0.0 115.393 . . . . . . . . . 0 0 . 1 . 009 ecloud build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -97.99 86.57 0.8 Allowed Glycine 0 C--N 1.365 2.192 0 CA-C-O 125.457 2.698 . . . . 0.0 116.245 -175.021 . . . . . . . . 1 1 . 1 . 009 ecloud build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . 0.348 6.7 mm -62.83 -36.59 76.17 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.075 0 O-C-N 120.258 -1.73 . . . . 0.0 115.395 -176.155 . . . . . . . . 2 2 . 1 . 009 ecloud build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -82.36 -31.41 30.94 Favored Glycine 0 CA--C 1.454 -3.778 0 CA-C-N 112.414 -2.175 . . . . 0.0 116.054 177.036 . . . . . . . . 1 1 . 1 . 009 ecloud build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . 0.257 . . -60.41 -31.99 70.91 Favored 'General case' 0 C--O 1.197 -1.674 0 N-CA-C 117.958 2.577 . . . . 0.0 117.958 161.547 . . . . . . . . 2 2 . 1 . 009 ecloud build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 27.8 tp -73.33 -73.5 0.21 Allowed 'General case' 0 C--N 1.361 1.096 0 CA-C-O 124.423 2.059 . . . . 0.0 107.801 173.295 . . . . . . . . 1 1 . 1 . 009 ecloud build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -64.42 -62.11 1.8 Allowed 'General case' 0 C--N 1.408 3.132 0 N-CA-C 117.731 2.493 . . . . 0.0 117.731 -169.024 . . . . . . . . 1 1 . 1 . 009 ecloud build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 43.2 mt -77.17 -33.13 56.57 Favored 'General case' 0 C--N 1.364 1.206 0 N-CA-C 117.356 2.354 . . . . 0.0 117.356 -176.607 . . . . . . . . 1 1 . 1 . 009 ecloud build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.27 -74.97 1.24 Allowed Glycine 1 N--CA 1.378 -5.229 0 O-C-N 126.287 2.242 . . . . 0.0 117.017 175.446 . . . . . . . . 2 2 . 1 . 009 ecloud build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -58.22 -48.98 78.67 Favored 'General case' 0 N--CA 1.498 1.942 0 CA-C-N 122.59 3.195 . . . . 0.0 113.88 -178.5 . . . . . . . . 1 1 . 1 . 009 ecloud build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.4 mt -84.57 -65.66 0.98 Allowed 'General case' 0 C--N 1.398 2.687 0 N-CA-C 104.972 -2.232 . . . . 0.0 104.972 -174.141 . . . . . . . . 1 1 . 1 . 009 ecloud build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.8 -66.81 2.57 Favored Glycine 0 CA--C 1.556 2.645 1 N-CA-C 126.607 5.403 . . . . 0.0 126.607 -176.042 . . . . . . . . 2 2 . 1 . 009 ecloud build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.26 -44.66 16.03 Favored 'General case' 0 CA--C 1.576 1.97 0 O-C-N 119.556 -2.143 . . . . 0.0 111.077 -175.379 . . . . . . . . 1 1 . 1 . 009 ecloud build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.33 -50.34 22.59 Favored 'General case' 0 N--CA 1.393 -3.3 0 CA-C-O 122.861 1.315 . . . . 0.0 111.215 -174.787 . . . . . . . . 1 1 . 1 . 009 ecloud build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 111.04 50.13 0.64 Allowed Glycine 0 CA--C 1.464 -3.105 0 O-C-N 118.307 -2.746 . . . . 0.0 115.751 166.862 . . . . . . . . 1 1 . 1 . 009 ecloud build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.3 m -68.52 146.61 52.96 Favored 'General case' 0 C--O 1.209 -1.056 0 CA-C-N 123.27 3.535 . . . . 0.0 110.603 167.512 . . . . . . . . 1 1 . 1 . 009 ecloud build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 43.9 m -102.84 123.28 46.2 Favored 'General case' 0 CA--C 1.581 2.151 0 N-CA-C 102.296 -3.224 . . . . 0.0 102.296 -178.925 . . . . . . . . 1 1 . 1 . 009 ecloud build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.8 ttp -88.61 -58.4 2.57 Favored 'General case' 0 N--CA 1.403 -2.817 1 C-N-CA 132.66 4.384 . . . . 0.0 113.198 -172.581 . . . . . . . . 2 2 . 1 . 009 ecloud build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.378 2.864 0 O-C-N 118.487 -2.633 . . . . 0.0 107.896 -165.753 . . . . . . . . 0 0 . 1 . 010 ecloud build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.2 m . . . . . 0 CA--C 1.465 -2.319 0 CA-C-O 123.778 1.752 . . . . 0.0 106.918 . . . . . . . . . 0 0 . 1 . 010 ecloud build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -96.77 96.26 1.86 Allowed Glycine 1 C--N 1.406 4.472 0 N-CA-C 109.334 -1.506 . . . . 0.0 109.334 -163.83 . . . . . . . . 2 2 . 1 . 010 ecloud build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.0 mm -71.42 -43.92 72.31 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.642 0 C-N-CA 123.994 0.918 . . . . 0.0 110.087 -174.587 . . . . . . . . 1 1 . 1 . 010 ecloud build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -51.38 -53.04 29.96 Favored Glycine 1 CA--C 1.58 4.126 0 O-C-N 118.417 -2.677 . . . . 0.0 112.244 165.97 . . . . . . . . 2 2 . 1 . 010 ecloud build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.25 -46.96 82.55 Favored 'General case' 0 C--N 1.402 2.89 0 O-C-N 127.723 2.661 . . . . 0.0 115.906 -176.014 . . . . . . . . 1 1 . 1 . 010 ecloud build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 15.7 tp -61.71 -70.0 0.21 Allowed 'General case' 0 C--N 1.415 3.424 0 O-C-N 118.652 -2.53 . . . . 0.0 115.783 167.269 . . . . . . . . 1 1 . 1 . 010 ecloud build core ' A' A ' 8' ' ' PHE . . . . . 0.436 ' HA ' HD12 ' A' ' 12' ' ' LEU . 56.7 m-85 -85.05 -38.95 18.56 Favored 'General case' 0 C--O 1.251 1.165 0 O-C-N 117.71 -3.119 . . . . 0.0 114.19 -155.334 . . . . . . . . 2 2 . 1 . 010 ecloud build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 tt -83.31 -61.68 1.79 Allowed 'General case' 0 N--CA 1.437 -1.109 0 O-C-N 119.869 -1.769 . . . . 0.0 110.444 171.753 . . . . . . . . 1 1 . 1 . 010 ecloud build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.31 -61.66 4.1 Favored Glycine 0 N--CA 1.479 1.54 0 CA-C-N 120.929 1.695 . . . . 0.0 110.012 -170.816 . . . . . . . . 1 1 . 1 . 010 ecloud build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -69.61 -55.01 11.27 Favored 'General case' 0 CA--C 1.594 2.658 0 CA-C-N 121.485 2.642 . . . . 0.0 112.162 -175.284 . . . . . . . . 1 1 . 1 . 010 ecloud build core ' A' A ' 12' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 8' ' ' PHE . 88.9 mt -63.72 -38.93 92.97 Favored 'General case' 0 C--O 1.275 2.433 0 O-C-N 117.527 -3.233 . . . . 0.0 119.318 -177.358 . . . . . . . . 2 2 . 1 . 010 ecloud build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.53 -49.1 0.53 Allowed Glycine 1 C--N 1.413 4.84 0 CA-C-O 115.136 -3.035 . . . . 0.0 112.279 -170.423 . . . . . . . . 2 2 . 1 . 010 ecloud build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.3 -52.19 24.72 Favored 'General case' 0 N--CA 1.42 -1.946 1 CA-C-N 125.025 4.412 . . . . 0.0 112.937 179.321 . . . . . . . . 2 2 . 1 . 010 ecloud build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.33 -57.25 3.8 Favored 'General case' 0 C--O 1.191 -2.001 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -177.984 . . . . . . . . 1 1 . 1 . 010 ecloud build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 131.88 38.42 0.26 Allowed Glycine 1 CA--C 1.449 -4.034 0 O-C-N 126.043 2.089 . . . . 0.0 113.799 148.837 . . . . . . . . 2 2 . 1 . 010 ecloud build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.0 m -79.88 161.77 25.39 Favored 'General case' 0 C--N 1.374 1.674 0 O-C-N 118.647 -2.678 . . . . 0.0 113.642 -178.256 . . . . . . . . 1 1 . 1 . 010 ecloud build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.1 m -96.54 116.73 29.57 Favored 'General case' 0 CA--C 1.492 -1.27 0 CA-C-O 126.357 2.98 . . . . 0.0 109.284 -168.274 . . . . . . . . 1 1 . 1 . 010 ecloud build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 45.7 ttp -78.01 -54.94 5.72 Favored 'General case' 0 CA--C 1.452 -2.812 0 O-C-N 117.454 -3.279 . . . . 0.0 105.061 170.334 . . . . . . . . 1 1 . 1 . 010 ecloud build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.48 -2.136 0 O-C-N 117.853 -3.029 . . . . 0.0 105.627 170.535 . . . . . . . . 0 0 . 1 . 011 ecloud build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.261 1.697 0 CA-C-O 123.582 1.658 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 011 ecloud build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -79.78 85.13 1.28 Allowed Glycine 0 CA--C 1.465 -3.042 0 O-C-N 118.615 -2.553 . . . . 0.0 112.757 174.38 . . . . . . . . 1 1 . 1 . 011 ecloud build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 6.8 mm -84.87 -52.33 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.375 0 C-N-CA 128.787 2.835 . . . . 0.0 112.353 -174.641 . . . . . . . . 1 1 . 1 . 011 ecloud build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -65.34 -39.15 95.71 Favored Glycine 0 C--N 1.382 3.115 1 CA-C-O 127.86 4.033 . . . . 0.0 111.508 175.102 . . . . . . . . 2 2 . 1 . 011 ecloud build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.14 -41.9 93.68 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 131.323 3.849 . . . . 0.0 107.339 176.767 . . . . . . . . 1 1 . 1 . 011 ecloud build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 25.9 tp -63.86 -82.49 0.02 OUTLIER 'General case' 0 C--O 1.2 -1.504 0 O-C-N 118.556 -2.59 . . . . 0.0 114.441 167.682 . . . . . . . . 1 1 . 1 . 011 ecloud build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -56.75 -52.22 65.82 Favored 'General case' 0 CA--C 1.499 -0.99 1 O-C-N 115.409 -4.557 . . . . 0.0 115.147 -173.997 . . . . . . . . 2 2 . 1 . 011 ecloud build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.3 mt -85.26 -34.32 21.98 Favored 'General case' 0 C--O 1.21 -1.026 0 CA-C-O 117.144 -1.408 . . . . 0.0 108.211 -169.468 . . . . . . . . 1 1 . 1 . 011 ecloud build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -83.51 -66.33 1.52 Allowed Glycine 1 N--CA 1.393 -4.191 0 CA-C-O 125.814 2.897 . . . . 0.0 115.132 178.812 . . . . . . . . 2 2 . 1 . 011 ecloud build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -71.84 -51.5 22.13 Favored 'General case' 0 N--CA 1.408 -2.554 0 O-C-N 118.277 -2.896 . . . . 0.0 112.272 -178.296 . . . . . . . . 1 1 . 1 . 011 ecloud build core ' A' A ' 12' ' ' LEU . . . . . 0.416 HD22 ' HB2' ' A' ' 19' ' ' MET . 56.3 mt -88.2 -18.75 28.01 Favored 'General case' 0 C--O 1.201 -1.449 0 O-C-N 117.915 -2.991 . . . . 0.0 118.238 -173.656 . . . . . . . . 2 2 . 1 . 011 ecloud build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -109.92 -54.26 0.56 Allowed Glycine 0 C--N 1.369 2.41 0 O-C-N 119.571 -1.956 . . . . 0.0 110.209 -175.291 . . . . . . . . 1 1 . 1 . 011 ecloud build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.37 -72.21 0.06 Allowed 'General case' 0 C--N 1.366 1.301 0 O-C-N 118.743 -2.622 . . . . 0.0 117.811 172.14 . . . . . . . . 1 1 . 1 . 011 ecloud build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.41 -56.08 11.11 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-N 112.771 -2.013 . . . . 0.0 105.954 -176.564 . . . . . . . . 1 1 . 1 . 011 ecloud build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 103.13 73.17 0.95 Allowed Glycine 0 N--CA 1.405 -3.374 0 O-C-N 118.82 -2.425 . . . . 0.0 112.746 175.609 . . . . . . . . 1 1 . 1 . 011 ecloud build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.56 154.14 20.29 Favored 'General case' 0 CA--C 1.457 -2.61 0 CA-C-O 125.168 2.413 . . . . 0.0 107.511 -177.669 . . . . . . . . 2 2 . 1 . 011 ecloud build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.8 m -70.83 109.53 5.05 Favored 'General case' 0 C--N 1.365 1.245 0 N-CA-C 117.669 2.47 . . . . 0.0 117.669 -165.594 . . . . . . . . 1 1 . 1 . 011 ecloud build core ' A' A ' 19' ' ' MET . . . . . 0.416 ' HB2' HD22 ' A' ' 12' ' ' LEU . 25.0 ttt -86.14 -57.42 3.03 Favored 'General case' 0 N--CA 1.421 -1.918 0 CA-C-O 124.046 1.879 . . . . 0.0 114.358 -179.051 . . . . . . . . 2 2 . 1 . 011 ecloud build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.486 -1.768 0 CA-C-N 113.904 -1.498 . . . . 0.0 109.919 -154.211 . . . . . . . . 0 0 . 1 . 012 ecloud build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.8 m . . . . . 0 C--O 1.254 1.333 0 N-CA-C 116.393 1.997 . . . . 0.0 116.393 . . . . . . . . . 0 0 . 1 . 012 ecloud build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -93.95 72.45 1.2 Allowed Glycine 0 N--CA 1.508 3.483 0 C-N-CA 116.702 -2.666 . . . . 0.0 116.521 -167.935 . . . . . . . . 1 1 . 1 . 012 ecloud build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 25.1 mm -70.81 -64.31 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.425 -1.709 1 C-N-CA 132.373 4.269 . . . . 0.0 114.256 -172.34 . . . . . . . . 2 2 . 1 . 012 ecloud build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -57.21 -38.78 88.09 Favored Glycine 0 C--N 1.398 3.976 0 CA-C-O 126.08 3.045 . . . . 0.0 110.365 179.565 . . . . . . . . 1 1 . 1 . 012 ecloud build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.18 -33.39 73.31 Favored 'General case' 0 N--CA 1.42 -1.944 0 C-N-CA 126.157 1.783 . . . . 0.0 114.848 178.341 . . . . . . . . 1 1 . 1 . 012 ecloud build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.8 tp -71.1 -59.63 2.67 Favored 'General case' 0 N--CA 1.407 -2.597 0 O-C-N 119.289 -2.132 . . . . 0.0 114.442 165.481 . . . . . . . . 1 1 . 1 . 012 ecloud build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -72.17 -60.63 2.14 Favored 'General case' 0 C--O 1.257 1.489 0 O-C-N 119.203 -2.185 . . . . 0.0 110.471 -172.341 . . . . . . . . 1 1 . 1 . 012 ecloud build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.5 mt -70.95 -67.31 0.52 Allowed 'General case' 0 C--O 1.179 -2.623 0 O-C-N 119.001 -2.312 . . . . 0.0 111.464 -177.232 . . . . . . . . 1 1 . 1 . 012 ecloud build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.85 -70.09 0.8 Allowed Glycine 0 C--O 1.277 2.806 0 C-N-CA 127.755 2.597 . . . . 0.0 114.111 -179.692 . . . . . . . . 1 1 . 1 . 012 ecloud build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -75.71 -53.28 8.79 Favored 'General case' 0 C--N 1.382 2.021 1 O-C-N 113.318 -5.813 . . . . 0.0 109.81 -169.949 . . . . . . . . 2 2 . 1 . 012 ecloud build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.3 mt -84.27 -28.07 27.44 Favored 'General case' 0 C--O 1.274 2.35 0 O-C-N 116.868 -3.645 . . . . 0.0 112.617 -166.795 . . . . . . . . 1 1 . 1 . 012 ecloud build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.61 -56.71 1.31 Allowed Glycine 0 C--N 1.349 1.28 0 C-N-CA 127.184 2.326 . . . . 0.0 116.694 -175.924 . . . . . . . . 1 1 . 1 . 012 ecloud build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.38 -54.42 3.81 Favored 'General case' 0 N--CA 1.383 -3.797 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 -165.812 . . . . . . . . 1 1 . 1 . 012 ecloud build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . 0.349 . . -65.27 -71.38 0.19 Allowed 'General case' 0 CA--C 1.559 1.325 0 C-N-CA 118.706 -1.198 . . . . 0.0 110.421 174.273 . . . . . . . . 2 2 . 1 . 012 ecloud build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 137.32 26.7 0.37 Allowed Glycine 1 C--N 1.402 4.203 0 N-CA-C 120.422 2.929 . . . . 0.0 120.422 176.106 . . . . . . . . 2 2 . 1 . 012 ecloud build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.8 m -62.86 162.69 10.68 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-O 117.379 -1.296 . . . . 0.0 114.25 173.594 . . . . . . . . 1 1 . 1 . 012 ecloud build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.9 m -88.78 128.67 35.64 Favored 'General case' 0 C--N 1.4 2.798 0 CA-C-O 117.556 -1.211 . . . . 0.0 112.228 179.482 . . . . . . . . 1 1 . 1 . 012 ecloud build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 24.2 ttt -83.3 -74.98 0.34 Allowed 'General case' 0 C--N 1.274 -2.711 1 O-C-N 129.485 4.241 . . . . 0.0 111.039 171.165 . . . . . . . . 2 2 . 1 . 012 ecloud build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.509 3.549 0 O-C-N 119.177 -2.202 . . . . 0.0 113.002 -174.332 . . . . . . . . 0 0 . 1 . 013 ecloud build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.215 -0.736 0 CA-C-O 115.744 -2.074 . . . . 0.0 110.153 . . . . . . . . . 1 1 . 1 . 013 ecloud build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -85.98 79.5 1.86 Allowed Glycine 0 CA--C 1.547 2.09 2 C-N-CA 112.441 -4.695 . . . . 0.0 115.198 -175.606 . . . . . . . . 2 2 . 1 . 013 ecloud build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.1 mm -73.9 -64.92 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.478 -1.791 0 C-N-CA 126.584 1.954 . . . . 0.0 107.611 179.241 . . . . . . . . 1 1 . 1 . 013 ecloud build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.38 -39.64 73.59 Favored Glycine 0 CA--C 1.471 -2.69 0 C-N-CA 126.808 2.146 . . . . 0.0 114.312 179.485 . . . . . . . . 1 1 . 1 . 013 ecloud build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.6 -37.91 68.73 Favored 'General case' 0 C--O 1.26 1.655 0 CA-C-O 124.51 2.1 . . . . 0.0 116.372 168.045 . . . . . . . . 1 1 . 1 . 013 ecloud build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.9 tp -82.74 -59.15 2.6 Favored 'General case' 0 C--N 1.392 2.435 0 O-C-N 117.089 -3.507 . . . . 0.0 110.318 179.899 . . . . . . . . 1 1 . 1 . 013 ecloud build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.293 11.0 m-85 -76.06 -36.9 58.83 Favored 'General case' 0 CA--C 1.603 3.009 0 O-C-N 117.407 -3.308 . . . . 0.0 112.552 -170.168 . . . . . . . . 2 2 . 1 . 013 ecloud build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.9 mt -96.52 -48.61 5.47 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-O 117.323 -1.322 . . . . 0.0 108.894 -179.425 . . . . . . . . 1 1 . 1 . 013 ecloud build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.11 -60.76 2.21 Favored Glycine 0 N--CA 1.423 -2.221 0 CA-C-N 123.131 2.696 . . . . 0.0 117.873 -170.815 . . . . . . . . 1 1 . 1 . 013 ecloud build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . 0.305 55.4 t80 -56.85 -60.42 3.59 Favored 'General case' 0 N--CA 1.521 3.085 0 CA-C-N 111.754 -2.223 . . . . 0.0 114.678 176.693 . . . . . . . . 2 2 . 1 . 013 ecloud build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 35.8 mt -79.79 -34.57 39.56 Favored 'General case' 0 CA--C 1.575 1.916 0 C-N-CA 124.695 1.198 . . . . 0.0 112.452 -178.344 . . . . . . . . 1 1 . 1 . 013 ecloud build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.08 -73.07 1.28 Allowed Glycine 0 C--O 1.27 2.348 0 CA-C-O 119.289 -0.728 . . . . 0.0 112.733 -177.274 . . . . . . . . 1 1 . 1 . 013 ecloud build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.66 -62.27 1.45 Allowed 'General case' 0 N--CA 1.419 -2.023 0 C-N-CA 128.352 2.661 . . . . 0.0 111.277 -167.937 . . . . . . . . 1 1 . 1 . 013 ecloud build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.43 -20.93 63.78 Favored 'General case' 0 C--O 1.212 -0.9 0 CA-C-O 115.396 -2.24 . . . . 0.0 113.841 -179.572 . . . . . . . . 1 1 . 1 . 013 ecloud build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.82 34.24 13.75 Favored Glycine 0 CA--C 1.461 -3.299 0 CA-C-N 120.513 1.506 . . . . 0.0 115.361 167.777 . . . . . . . . 1 1 . 1 . 013 ecloud build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.8 m -59.54 132.41 53.89 Favored 'General case' 0 CA--C 1.468 -2.192 0 O-C-N 118.993 -2.474 . . . . 0.0 108.883 167.11 . . . . . . . . 1 1 . 1 . 013 ecloud build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 89.1 m -73.88 110.72 8.39 Favored 'General case' 0 CA--C 1.494 -1.209 0 CA-C-N 113.369 -1.742 . . . . 0.0 110.98 -179.02 . . . . . . . . 1 1 . 1 . 013 ecloud build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 10.9 ttt -75.01 -59.24 2.82 Favored 'General case' 0 C--O 1.267 1.977 1 O-C-N 115.744 -4.347 . . . . 0.0 115.583 -175.367 . . . . . . . . 2 2 . 1 . 013 ecloud build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.105 0 C-N-CA 117.966 -2.064 . . . . 0.0 108.054 -174.938 . . . . . . . . 0 0 . 1 . 014 ecloud build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.0 m . . . . . 0 CA--C 1.489 -1.369 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 . . . . . . . . . 0 0 . 1 . 014 ecloud build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -100.0 84.23 0.59 Allowed Glycine 0 N--CA 1.407 -3.254 0 CA-C-O 117.426 -1.763 . . . . 0.0 112.119 -157.939 . . . . . . . . 1 1 . 1 . 014 ecloud build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.8 mm -69.16 -40.94 81.13 Favored 'Isoleucine or valine' 0 C--N 1.38 1.906 0 O-C-N 129.826 3.898 . . . . 0.0 119.75 165.662 . . . . . . . . 1 1 . 1 . 014 ecloud build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.83 -54.26 5.45 Favored Glycine 0 N--CA 1.502 3.09 0 C-N-CA 129.605 3.478 . . . . 0.0 108.744 -173.427 . . . . . . . . 1 1 . 1 . 014 ecloud build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.48 -37.3 72.69 Favored 'General case' 0 CA--C 1.463 -2.396 0 N-CA-C 115.254 1.576 . . . . 0.0 115.254 -175.431 . . . . . . . . 1 1 . 1 . 014 ecloud build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 21.7 tp -78.0 -52.46 8.76 Favored 'General case' 0 C--N 1.399 2.76 0 C-N-CA 126.905 2.082 . . . . 0.0 109.144 -175.894 . . . . . . . . 1 1 . 1 . 014 ecloud build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -86.6 -31.96 20.88 Favored 'General case' 0 N--CA 1.433 -1.297 0 CA-C-O 115.933 -1.984 . . . . 0.0 114.9 -176.448 . . . . . . . . 1 1 . 1 . 014 ecloud build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 67.7 mt -82.89 -49.46 9.63 Favored 'General case' 1 C--N 1.446 4.768 1 CA-C-N 126.954 4.434 . . . . 0.0 105.742 -177.455 . . . . . . . . 3 2 . 1 . 014 ecloud build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -90.37 -55.41 1.95 Allowed Glycine 0 C--N 1.364 2.127 0 C-N-CA 125.237 1.399 . . . . 0.0 112.105 -162.675 . . . . . . . . 1 1 . 1 . 014 ecloud build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -80.4 -59.49 2.68 Favored 'General case' 0 CA--C 1.586 2.36 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.597 -172.553 . . . . . . . . 1 1 . 1 . 014 ecloud build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.0 mt -69.86 -50.35 43.49 Favored 'General case' 0 CA--C 1.575 1.942 0 CA-C-O 122.996 1.379 . . . . 0.0 110.083 172.717 . . . . . . . . 1 1 . 1 . 014 ecloud build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.04 -57.46 4.8 Favored Glycine 0 CA--C 1.576 3.847 1 O-C-N 115.089 -4.757 . . . . 0.0 112.508 -168.032 . . . . . . . . 2 2 . 1 . 014 ecloud build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.32 -51.56 6.49 Favored 'General case' 0 N--CA 1.414 -2.233 0 N-CA-C 116.029 1.862 . . . . 0.0 116.029 -176.164 . . . . . . . . 1 1 . 1 . 014 ecloud build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . 0.384 . . -58.46 -40.01 81.48 Favored 'General case' 0 N--CA 1.428 -1.556 0 N-CA-C 117.352 2.353 . . . . 0.0 117.352 170.238 . . . . . . . . 2 2 . 1 . 014 ecloud build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.14 53.63 2.78 Favored Glycine 1 CA--C 1.45 -4.008 0 O-C-N 118.873 -2.392 . . . . 0.0 116.466 170.052 . . . . . . . . 2 2 . 1 . 014 ecloud build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.1 m -99.27 147.9 24.7 Favored 'General case' 0 CA--C 1.578 2.041 0 CA-C-O 124.881 2.277 . . . . 0.0 108.316 166.389 . . . . . . . . 1 1 . 1 . 014 ecloud build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 88.3 m -63.68 121.08 13.07 Favored 'General case' 0 CA--C 1.583 2.23 0 O-C-N 119.314 -2.116 . . . . 0.0 113.547 -178.447 . . . . . . . . 1 1 . 1 . 014 ecloud build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 7.0 ttp -91.76 -38.17 12.54 Favored 'General case' 0 CA--C 1.496 -1.102 0 CA-C-N 112.382 -2.19 . . . . 0.0 115.338 -176.506 . . . . . . . . 1 1 . 1 . 014 ecloud build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.398 3.987 1 N-CA-C 97.115 -6.394 . . . . 0.0 97.115 170.153 . . . . . . . . 1 1 . 1 . 015 ecloud build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 16.8 m . . . . . 0 CA--C 1.556 1.209 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 . . . . . . . . . 0 0 . 1 . 015 ecloud build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -105.33 67.87 0.26 Allowed Glycine 0 CA--C 1.461 -3.341 0 N-CA-C 118.718 2.247 . . . . 0.0 118.718 -166.778 . . . . . . . . 1 1 . 1 . 015 ecloud build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 38.4 mm -65.17 -50.84 71.84 Favored 'Isoleucine or valine' 0 N--CA 1.387 -3.614 0 CA-C-O 123.585 1.66 . . . . 0.0 114.512 -168.465 . . . . . . . . 1 1 . 1 . 015 ecloud build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -67.94 -42.87 84.63 Favored Glycine 1 N--CA 1.379 -5.107 0 CA-C-N 111.307 -2.679 . . . . 0.0 117.085 170.027 . . . . . . . . 2 2 . 1 . 015 ecloud build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . 0.256 . . -42.26 -45.5 4.19 Favored 'General case' 0 C--N 1.391 2.395 0 N-CA-C 116.688 2.107 . . . . 0.0 116.688 165.122 . . . . . . . . 2 2 . 1 . 015 ecloud build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 45.8 tp -73.01 -61.46 1.8 Allowed 'General case' 0 CA--C 1.476 -1.898 0 C-N-CA 126.993 2.117 . . . . 0.0 110.356 -179.968 . . . . . . . . 1 1 . 1 . 015 ecloud build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -72.19 -41.22 67.22 Favored 'General case' 0 N--CA 1.397 -3.112 0 N-CA-C 119.6 3.185 . . . . 0.0 119.6 -174.915 . . . . . . . . 1 1 . 1 . 015 ecloud build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 55.6 mt -83.91 -43.73 14.98 Favored 'General case' 0 C--N 1.374 1.665 0 O-C-N 117.859 -3.026 . . . . 0.0 112.988 177.42 . . . . . . . . 1 1 . 1 . 015 ecloud build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -80.08 -47.98 6.75 Favored Glycine 0 C--N 1.352 1.428 0 C-N-CA 126.684 2.088 . . . . 0.0 117.349 -173.719 . . . . . . . . 1 1 . 1 . 015 ecloud build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -86.05 -43.14 13.35 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.645 1.722 . . . . 0.0 109.622 -176.188 . . . . . . . . 1 1 . 1 . 015 ecloud build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.4 mt -91.27 -43.45 9.8 Favored 'General case' 0 N--CA 1.428 -1.574 0 CA-C-O 123.771 1.748 . . . . 0.0 110.251 -170.84 . . . . . . . . 1 1 . 1 . 015 ecloud build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.49 -81.18 0.58 Allowed Glycine 0 CA--C 1.563 3.085 0 O-C-N 118.994 -2.316 . . . . 0.0 116.982 176.013 . . . . . . . . 1 1 . 1 . 015 ecloud build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.02 -57.99 6.43 Favored 'General case' 0 C--N 1.399 2.733 0 C-N-CA 129.554 3.142 . . . . 0.0 114.064 173.633 . . . . . . . . 1 1 . 1 . 015 ecloud build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . 0.335 . . -76.75 -41.82 43.39 Favored 'General case' 0 CA--C 1.577 1.991 0 N-CA-C 116.044 1.868 . . . . 0.0 116.044 -177.361 . . . . . . . . 2 2 . 1 . 015 ecloud build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.76 36.06 4.66 Favored Glycine 0 CA--C 1.458 -3.523 0 CA-C-N 120.321 1.419 . . . . 0.0 114.416 164.913 . . . . . . . . 1 1 . 1 . 015 ecloud build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.9 t -83.74 172.53 12.14 Favored 'General case' 0 CA--C 1.481 -1.709 0 CA-C-N 118.781 1.291 . . . . 0.0 114.289 -175.525 . . . . . . . . 1 1 . 1 . 015 ecloud build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.6 m -67.78 129.05 38.71 Favored 'General case' 0 C--O 1.271 2.201 0 O-C-N 119.627 -1.921 . . . . 0.0 111.346 -177.295 . . . . . . . . 1 1 . 1 . 015 ecloud build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 7.2 ttt -98.21 -84.46 0.39 Allowed 'General case' 0 C--N 1.388 2.278 0 CA-C-O 124.311 2.005 . . . . 0.0 108.932 176.438 . . . . . . . . 1 1 . 1 . 015 ecloud build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.421 -2.36 0 O-C-N 119.045 -2.285 . . . . 0.0 108.087 176.523 . . . . . . . . 0 0 . 1 . 016 ecloud build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.4 m . . . . . 0 C--O 1.209 -1.038 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 . . . . . . . . . 0 0 . 1 . 016 ecloud build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -82.47 66.47 3.9 Favored Glycine 0 N--CA 1.492 2.407 0 O-C-N 117.43 -3.294 . . . . 0.0 115.335 -164.484 . . . . . . . . 1 1 . 1 . 016 ecloud build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.7 mm -59.76 -53.47 48.02 Favored 'Isoleucine or valine' 0 C--O 1.269 2.119 0 CA-C-N 113.309 -1.446 . . . . 0.0 112.937 174.616 . . . . . . . . 1 1 . 1 . 016 ecloud build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.72 -53.71 39.87 Favored Glycine 0 CA--C 1.543 1.83 0 O-C-N 118.318 -2.739 . . . . 0.0 114.521 168.64 . . . . . . . . 1 1 . 1 . 016 ecloud build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . 0.259 . . -35.06 -63.45 0.33 Allowed 'General case' 0 N--CA 1.512 2.626 0 C-N-CA 125.605 1.562 . . . . 0.0 115.161 166.053 . . . . . . . . 2 2 . 1 . 016 ecloud build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 17.3 tp -81.16 -51.16 8.75 Favored 'General case' 0 C--N 1.367 1.344 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 -170.214 . . . . . . . . 1 1 . 1 . 016 ecloud build core ' A' A ' 8' ' ' PHE . . . . . 0.406 ' HA ' HD12 ' A' ' 12' ' ' LEU . 97.9 m-85 -83.9 -39.99 19.15 Favored 'General case' 0 C--N 1.385 2.147 0 CA-C-N 122.808 2.549 . . . . 0.0 115.681 -169.201 . . . . . . . . 2 2 . 1 . 016 ecloud build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.5 mt -94.1 -37.69 11.48 Favored 'General case' 0 N--CA 1.519 3.019 0 CA-C-O 124.117 1.913 . . . . 0.0 115.732 177.022 . . . . . . . . 1 1 . 1 . 016 ecloud build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.15 -51.51 4.67 Favored Glycine 0 CA--C 1.495 -1.171 0 O-C-N 117.34 -3.35 . . . . 0.0 112.729 -177.693 . . . . . . . . 1 1 . 1 . 016 ecloud build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -86.55 -62.22 1.56 Allowed 'General case' 0 N--CA 1.437 -1.107 0 O-C-N 116.793 -3.769 . . . . 0.0 111.283 -170.049 . . . . . . . . 1 1 . 1 . 016 ecloud build core ' A' A ' 12' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 8' ' ' PHE . 20.2 mt -64.82 -46.98 79.69 Favored 'General case' 0 N--CA 1.503 2.205 0 C-N-CA 127.577 2.351 . . . . 0.0 116.568 172.828 . . . . . . . . 2 2 . 1 . 016 ecloud build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.83 -79.48 0.32 Allowed Glycine 0 C--O 1.173 -3.67 0 CA-C-O 126.651 3.362 . . . . 0.0 116.848 177.345 . . . . . . . . 1 1 . 1 . 016 ecloud build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.62 -66.11 0.59 Allowed 'General case' 0 CA--C 1.573 1.865 0 O-C-N 117.751 -3.206 . . . . 0.0 114.137 -177.102 . . . . . . . . 1 1 . 1 . 016 ecloud build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.88 -50.77 72.21 Favored 'General case' 0 C--N 1.385 2.127 1 O-C-N 115.967 -4.208 . . . . 0.0 113.237 175.654 . . . . . . . . 2 2 . 1 . 016 ecloud build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 109.04 40.97 1.47 Allowed Glycine 0 CA--C 1.47 -2.738 0 O-C-N 117.794 -3.066 . . . . 0.0 111.352 164.965 . . . . . . . . 1 1 . 1 . 016 ecloud build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.0 t -69.98 158.93 34.71 Favored 'General case' 0 CA--C 1.571 1.777 0 O-C-N 119.635 -2.097 . . . . 0.0 113.352 174.916 . . . . . . . . 1 1 . 1 . 016 ecloud build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.3 m -75.69 116.89 16.87 Favored 'General case' 0 C--O 1.219 -0.529 0 C-N-CA 124.208 1.003 . . . . 0.0 112.547 179.997 . . . . . . . . 1 1 . 1 . 016 ecloud build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 13.7 ttt -84.71 -50.76 7.34 Favored 'General case' 0 C--O 1.26 1.644 0 CA-C-O 123.731 1.729 . . . . 0.0 112.783 165.828 . . . . . . . . 1 1 . 1 . 016 ecloud build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.381 3.03 0 C-N-CA 125.719 1.628 . . . . 0.0 111.194 161.723 . . . . . . . . 0 0 . 1 . 017 ecloud build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.6 m . . . . . 0 C--O 1.221 -0.437 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 . . . . . . . . . 0 0 . 1 . 017 ecloud build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -87.78 89.02 1.58 Allowed Glycine 0 N--CA 1.494 2.513 0 O-C-N 118.08 -2.887 . . . . 0.0 112.282 176.25 . . . . . . . . 1 1 . 1 . 017 ecloud build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 39.5 mm -76.75 -42.35 33.64 Favored 'Isoleucine or valine' 0 C--O 1.275 2.439 0 O-C-N 117.801 -3.176 . . . . 0.0 117.112 170.155 . . . . . . . . 1 1 . 1 . 017 ecloud build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -76.79 -30.63 55.77 Favored Glycine 0 CA--C 1.475 -2.442 0 CA-C-O 115.305 -2.942 . . . . 0.0 114.712 173.095 . . . . . . . . 1 1 . 1 . 017 ecloud build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.03 -39.43 92.28 Favored 'General case' 0 C--O 1.208 -1.124 0 CA-C-N 123.006 3.403 . . . . 0.0 112.07 174.022 . . . . . . . . 1 1 . 1 . 017 ecloud build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.4 tp -70.35 -70.7 0.28 Allowed 'General case' 0 C--O 1.188 -2.145 0 O-C-N 125.015 1.447 . . . . 0.0 112.236 175.614 . . . . . . . . 1 1 . 1 . 017 ecloud build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -64.9 -42.24 94.93 Favored 'General case' 0 C--N 1.377 1.785 0 O-C-N 119.433 -2.042 . . . . 0.0 112.247 -166.786 . . . . . . . . 1 1 . 1 . 017 ecloud build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 24.8 mt -98.24 -43.72 6.86 Favored 'General case' 0 N--CA 1.445 -0.694 0 O-C-N 120.66 -1.275 . . . . 0.0 108.814 -164.512 . . . . . . . . 1 1 . 1 . 017 ecloud build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.68 -80.94 0.19 Allowed Glycine 1 N--CA 1.522 4.408 0 C-N-CA 125.418 1.485 . . . . 0.0 112.665 178.611 . . . . . . . . 2 2 . 1 . 017 ecloud build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -73.6 -53.24 10.96 Favored 'General case' 0 CA--C 1.616 3.489 0 C-N-CA 126.387 1.875 . . . . 0.0 109.535 -168.298 . . . . . . . . 1 1 . 1 . 017 ecloud build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 70.6 mt -77.29 -13.17 59.99 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 121.152 1.796 . . . . 0.0 115.759 173.585 . . . . . . . . 1 1 . 1 . 017 ecloud build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -98.89 -82.03 1.64 Allowed Glycine 0 CA--C 1.483 -1.923 0 CA-C-N 120.531 1.514 . . . . 0.0 113.404 176.38 . . . . . . . . 1 1 . 1 . 017 ecloud build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.76 -47.17 61.01 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-O 124.213 1.958 . . . . 0.0 111.913 -161.431 . . . . . . . . 1 1 . 1 . 017 ecloud build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.79 98.87 Favored 'General case' 0 CA--C 1.456 -2.67 0 C-N-CA 128.725 2.81 . . . . 0.0 113.45 168.753 . . . . . . . . 1 1 . 1 . 017 ecloud build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.24 44.62 4.33 Favored Glycine 0 C--N 1.362 1.977 0 CA-C-O 123.866 1.815 . . . . 0.0 111.026 165.225 . . . . . . . . 1 1 . 1 . 017 ecloud build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.4 t -85.51 -179.01 6.83 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 119.377 -2.249 . . . . 0.0 110.105 179.498 . . . . . . . . 1 1 . 1 . 017 ecloud build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.6 m -95.68 120.89 36.73 Favored 'General case' 0 CA--C 1.439 -3.326 0 O-C-N 120.277 -1.514 . . . . 0.0 111.454 -177.723 . . . . . . . . 1 1 . 1 . 017 ecloud build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 17.6 ttt -88.42 -55.78 3.58 Favored 'General case' 0 C--O 1.267 2.012 0 C-N-CA 127.827 2.451 . . . . 0.0 113.948 176.595 . . . . . . . . 1 1 . 1 . 017 ecloud build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.474 -2.49 0 C-N-CA 116.92 -2.562 . . . . 0.0 109.707 -171.149 . . . . . . . . 0 0 . 1 . 018 ecloud build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.1 m . . . . . 0 C--O 1.208 -1.091 0 N-CA-C 105.333 -2.099 . . . . 0.0 105.333 . . . . . . . . . 0 0 . 1 . 018 ecloud build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -86.97 70.9 2.83 Favored Glycine 0 C--N 1.368 2.317 0 CA-C-O 113.986 -3.674 . . . . 0.0 112.901 -171.679 . . . . . . . . 1 1 . 1 . 018 ecloud build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.4 mm -70.79 -54.53 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.193 0 O-C-N 127.663 2.625 . . . . 0.0 107.302 -175.419 . . . . . . . . 1 1 . 1 . 018 ecloud build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -84.19 -24.13 49.1 Favored Glycine 1 C--O 1.165 -4.203 0 O-C-N 120.237 -1.539 . . . . 0.0 110.938 -171.064 . . . . . . . . 2 2 . 1 . 018 ecloud build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.51 -31.54 72.33 Favored 'General case' 1 N--CA 1.366 -4.647 0 O-C-N 119.56 -2.141 . . . . 0.0 114.539 168.1 . . . . . . . . 2 2 . 1 . 018 ecloud build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 19.1 tp -77.53 -74.68 0.24 Allowed 'General case' 0 N--CA 1.487 1.392 0 CA-C-O 125.432 2.539 . . . . 0.0 110.331 169.299 . . . . . . . . 1 1 . 1 . 018 ecloud build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.262 12.0 m-85 -58.06 -39.15 77.76 Favored 'General case' 0 CA--C 1.476 -1.893 0 N-CA-C 119.03 2.974 . . . . 0.0 119.03 -167.064 . . . . . . . . 2 2 . 1 . 018 ecloud build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 43.4 mt -84.72 -65.13 1.04 Allowed 'General case' 0 C--N 1.295 -1.793 0 CA-C-O 124.307 2.003 . . . . 0.0 111.727 172.032 . . . . . . . . 1 1 . 1 . 018 ecloud build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.47 -50.52 49.05 Favored Glycine 0 CA--C 1.464 -3.156 0 CA-C-O 124.929 2.405 . . . . 0.0 114.554 -162.309 . . . . . . . . 1 1 . 1 . 018 ecloud build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -89.23 -60.65 1.89 Allowed 'General case' 0 CA--C 1.503 -0.855 1 O-C-N 116.187 -4.126 . . . . 0.0 111.398 -175.81 . . . . . . . . 2 2 . 1 . 018 ecloud build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . 0.296 55.7 mt -56.61 -54.68 43.23 Favored 'General case' 0 C--O 1.193 -1.909 0 C-N-CA 128.035 2.534 . . . . 0.0 110.018 176.697 . . . . . . . . 2 2 . 1 . 018 ecloud build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.66 -71.7 1.16 Allowed Glycine 1 C--N 1.437 6.17 0 O-C-N 119.702 -1.874 . . . . 0.0 116.595 179.851 . . . . . . . . 2 2 . 1 . 018 ecloud build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . 0.312 . . -77.32 -48.03 18.45 Favored 'General case' 0 N--CA 1.429 -1.507 0 CA-C-N 120.854 2.327 . . . . 0.0 111.92 -160.135 . . . . . . . . 2 2 . 1 . 018 ecloud build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.12 -32.69 72.25 Favored 'General case' 0 N--CA 1.511 2.622 0 C-N-CA 117.785 -1.566 . . . . 0.0 111.876 171.358 . . . . . . . . 1 1 . 1 . 018 ecloud build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.2 32.91 5.9 Favored Glycine 0 CA--C 1.469 -2.796 0 O-C-N 119.573 -1.955 . . . . 0.0 111.539 168.926 . . . . . . . . 1 1 . 1 . 018 ecloud build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.2 t -73.94 138.65 44.37 Favored 'General case' 0 C--N 1.373 1.588 1 O-C-N 116.012 -4.228 . . . . 0.0 111.15 178.837 . . . . . . . . 2 2 . 1 . 018 ecloud build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 55.7 m -85.96 134.43 33.87 Favored 'General case' 0 C--O 1.257 1.449 0 O-C-N 118.846 -2.408 . . . . 0.0 109.719 -177.948 . . . . . . . . 1 1 . 1 . 018 ecloud build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 13.2 ttt -80.12 -61.08 2.09 Favored 'General case' 0 CA--C 1.473 -2.01 1 C-N-CA 132.995 4.518 . . . . 0.0 115.461 177.728 . . . . . . . . 2 2 . 1 . 018 ecloud build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 1.863 0 C-N-CA 117.045 -2.503 . . . . 0.0 112.336 156.048 . . . . . . . . 0 0 . 1 . 019 ecloud build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.5 m . . . . . 0 CA--C 1.577 2.015 0 N-CA-C 110.486 -0.19 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 019 ecloud build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.68 67.44 3.16 Favored Glycine 0 C--O 1.294 3.844 0 C-N-CA 125.59 1.566 . . . . 0.0 113.114 -171.462 . . . . . . . . 1 1 . 1 . 019 ecloud build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.8 mm -67.8 -59.25 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 N-CA-C 118.35 2.722 . . . . 0.0 118.35 179.778 . . . . . . . . 1 1 . 1 . 019 ecloud build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -67.15 -33.01 81.82 Favored Glycine 0 N--CA 1.413 -2.862 0 CA-C-N 109.967 -3.288 . . . . 0.0 112.046 175.556 . . . . . . . . 1 1 . 1 . 019 ecloud build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.01 -38.36 75.93 Favored 'General case' 0 N--CA 1.41 -2.433 0 C-N-CA 127.124 2.17 . . . . 0.0 106.031 -175.613 . . . . . . . . 1 1 . 1 . 019 ecloud build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.276 6.9 tp -67.67 -63.32 1.08 Allowed 'General case' 0 C--O 1.198 -1.638 0 O-C-N 117.385 -3.322 . . . . 0.0 111.358 173.201 . . . . . . . . 2 2 . 1 . 019 ecloud build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -66.78 -64.38 0.87 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.38 1.872 . . . . 0.0 113.528 -170.188 . . . . . . . . 1 1 . 1 . 019 ecloud build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 24.4 mt -75.8 -33.77 60.15 Favored 'General case' 0 C--O 1.243 0.731 0 C-N-CA 123.869 0.868 . . . . 0.0 110.665 -172.637 . . . . . . . . 1 1 . 1 . 019 ecloud build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.03 -58.64 1.09 Allowed Glycine 0 C--O 1.191 -2.561 0 N-CA-C 116.808 1.483 . . . . 0.0 116.808 -165.967 . . . . . . . . 1 1 . 1 . 019 ecloud build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -75.97 -51.77 11.69 Favored 'General case' 0 CA--C 1.491 -1.292 0 C-N-CA 125.024 1.33 . . . . 0.0 113.327 179.681 . . . . . . . . 1 1 . 1 . 019 ecloud build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 50.0 mt -77.18 -59.65 2.69 Favored 'General case' 0 C--N 1.385 2.138 0 C-N-CA 126.859 2.063 . . . . 0.0 108.577 -179.116 . . . . . . . . 1 1 . 1 . 019 ecloud build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.38 -83.52 0.05 OUTLIER Glycine 0 N--CA 1.51 3.582 0 CA-C-O 115.68 -2.733 . . . . 0.0 117.955 173.621 . . . . . . . . 1 1 . 1 . 019 ecloud build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.54 -54.41 28.44 Favored 'General case' 0 C--N 1.293 -1.886 0 CA-C-O 112.119 -3.8 . . . . 0.0 113.092 -173.55 . . . . . . . . 1 1 . 1 . 019 ecloud build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.57 -83.69 0.01 OUTLIER 'General case' 0 C--O 1.21 -1.021 0 CA-C-N 122.896 2.589 . . . . 0.0 111.296 178.118 . . . . . . . . 1 1 . 1 . 019 ecloud build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 138.77 39.93 0.1 Allowed Glycine 0 N--CA 1.417 -2.606 0 C-N-CA 117.576 -2.25 . . . . 0.0 110.255 159.683 . . . . . . . . 1 1 . 1 . 019 ecloud build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.3 t -57.47 179.36 0.06 Allowed 'General case' 0 CA--C 1.491 -1.3 0 C-N-CA 131.612 3.965 . . . . 0.0 113.491 169.098 . . . . . . . . 1 1 . 1 . 019 ecloud build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 92.9 m -116.87 123.53 47.26 Favored 'General case' 0 N--CA 1.401 -2.912 0 C-N-CA 129.466 3.106 . . . . 0.0 107.745 -164.38 . . . . . . . . 1 1 . 1 . 019 ecloud build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 29.7 ttp -93.93 -52.82 4.25 Favored 'General case' 0 C--O 1.257 1.476 0 CA-C-O 124.181 1.943 . . . . 0.0 113.459 166.507 . . . . . . . . 1 1 . 1 . 019 ecloud build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.058 0 N-CA-C 103.381 -3.887 . . . . 0.0 103.381 172.111 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 0.268 . . . . . . . 0 N--CA 1.493 1.723 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 17.8 t -112.73 142.37 25.33 Favored 'Isoleucine or valine' 0 CA--C 1.466 -2.287 0 C-N-CA 127.453 2.301 . . . . 0.0 111.961 -164.087 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.38 82.21 0.01 OUTLIER Glycine 0 C--O 1.259 1.718 0 N-CA-C 122.78 3.872 . . . . 0.0 122.78 -162.737 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.3 mm -71.85 -56.77 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 C-N-CA 130.796 3.638 . . . . 0.0 113.211 173.052 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -62.86 -29.15 73.21 Favored Glycine 1 N--CA 1.532 5.045 0 C-N-CA 125.389 1.471 . . . . 0.0 115.011 167.676 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.89 -44.23 27.74 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 120.754 3.613 . . . . 0.0 120.754 174.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 24.1 tp -66.86 -60.61 2.51 Favored 'General case' 0 C--O 1.197 -1.705 0 CA-C-N 122.641 2.473 . . . . 0.0 117.357 174.879 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -72.34 -64.74 0.89 Allowed 'General case' 0 N--CA 1.506 2.332 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 -178.202 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.9 mt -70.99 -47.08 60.85 Favored 'General case' 0 C--O 1.262 1.74 0 CA-C-O 116.175 -1.869 . . . . 0.0 109.62 -174.995 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -74.29 -70.22 1.28 Allowed Glycine 0 CA--C 1.56 2.877 0 CA-C-O 117.98 -1.456 . . . . 0.0 112.849 -176.871 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -68.62 -45.97 70.51 Favored 'General case' 0 CA--C 1.495 -1.165 0 N-CA-C 117.957 2.577 . . . . 0.0 117.957 -172.531 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LEU . . . . . 0.46 HD23 ' HB3' ' A' ' 17' ' ' SER . 23.8 mt -84.29 -53.7 5.3 Favored 'General case' 0 C--N 1.313 -1.001 0 O-C-N 120.131 -1.605 . . . . 0.0 109.351 176.404 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -54.46 -79.16 0.09 OUTLIER Glycine 0 N--CA 1.472 1.066 1 C-N-CA 133.045 5.117 . . . . 0.0 112.794 179.428 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . 0.267 . . -71.02 -40.25 71.88 Favored 'General case' 0 C--O 1.202 -1.433 1 O-C-N 116.322 -4.046 . . . . 0.0 114.208 -171.832 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.29 -89.98 0.17 Allowed 'General case' 0 N--CA 1.401 -2.895 0 O-C-N 119.666 -1.896 . . . . 0.0 113.317 -178.847 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 150.02 128.19 1.57 Allowed Glycine 0 CA--C 1.56 2.888 0 CA-C-O 125.141 2.523 . . . . 0.0 109.469 -172.832 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' SER . . . . . 0.46 ' HB3' HD23 ' A' ' 12' ' ' LEU . 47.5 t -150.02 164.28 35.94 Favored 'General case' 0 C--O 1.204 -1.337 0 CA-C-N 112.367 -1.917 . . . . 0.0 108.09 160.744 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 86.7 m -89.37 106.38 18.41 Favored 'General case' 0 C--N 1.391 2.389 0 CA-C-O 123.188 1.471 . . . . 0.0 113.031 165.851 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 26.2 ttt -70.96 -50.82 30.31 Favored 'General case' 0 N--CA 1.412 -2.374 0 C-N-CA 127.512 2.325 . . . . 0.0 112.422 168.285 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -172.51 -134.4 1.8 Allowed Glycine 0 C--O 1.272 2.527 0 CA-C-O 124.814 2.341 . . . . 0.0 111.167 177.965 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -172.25 178.95 2.71 Favored 'General case' 0 CA--C 1.482 -1.663 1 C-N-CA 132.423 4.289 . . . . 0.0 106.162 -175.614 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 51.9 mtp180 -103.48 -40.83 6.19 Favored 'General case' 0 N--CA 1.412 -2.352 0 C-N-CA 127.535 2.334 . . . . 0.0 111.704 171.867 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . 0.328 93.9 p -85.81 -108.56 0.05 Allowed 'General case' 0 CA--C 1.509 -0.634 0 C-N-CA 128.376 2.67 . . . . 0.0 113.871 -177.212 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.888 0 O-C-N 120.113 -1.617 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 ecloud build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.578 5.94 0 CA-C-O 117.371 -1.3 . . . . 0.0 107.967 . . . . . . . . . 1 1 . 1 . 002 ecloud build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 19.2 m -68.5 167.34 1.69 Allowed 'Isoleucine or valine' 0 N--CA 1.508 2.453 0 N-CA-C 121.28 3.808 . . . . 0.0 121.28 178.291 . . . . . . . . 1 1 . 1 . 002 ecloud build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -90.32 69.92 2.26 Favored Glycine 0 C--O 1.188 -2.719 0 C-N-CA 116.408 -2.806 . . . . 0.0 116.474 -171.964 . . . . . . . . 1 1 . 1 . 002 ecloud build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.9 mm -59.15 -58.37 7.24 Favored 'Isoleucine or valine' 0 N--CA 1.401 -2.877 0 C-N-CA 130.856 3.663 . . . . 0.0 112.927 -174.362 . . . . . . . . 1 1 . 1 . 002 ecloud build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -76.13 -17.01 80.28 Favored Glycine 0 C--N 1.363 2.081 0 O-C-N 120.014 -1.679 . . . . 0.0 113.462 179.446 . . . . . . . . 1 1 . 1 . 002 ecloud build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.47 -43.53 98.59 Favored 'General case' 0 C--N 1.36 1.031 0 O-C-N 118.595 -2.709 . . . . 0.0 114.115 169.007 . . . . . . . . 1 1 . 1 . 002 ecloud build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.288 41.5 tp -75.85 -61.99 1.74 Allowed 'General case' 1 N--CA 1.373 -4.29 0 O-C-N 119.386 -2.071 . . . . 0.0 106.984 178.139 . . . . . . . . 3 2 . 1 . 002 ecloud build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.287 27.8 m-85 -68.46 -56.16 9.36 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 116.926 2.195 . . . . 0.0 116.926 -167.136 . . . . . . . . 2 2 . 1 . 002 ecloud build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.8 mt -78.77 -34.69 45.41 Favored 'General case' 0 C--O 1.188 -2.176 0 CA-C-N 120.455 1.48 . . . . 0.0 113.873 169.064 . . . . . . . . 1 1 . 1 . 002 ecloud build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -79.56 -64.04 1.94 Allowed Glycine 0 N--CA 1.51 3.581 0 N-CA-C 111.411 -0.676 . . . . 0.0 111.411 -169.926 . . . . . . . . 1 1 . 1 . 002 ecloud build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -79.78 -46.69 16.51 Favored 'General case' 0 C--N 1.373 1.602 0 CA-C-O 121.887 0.851 . . . . 0.0 111.744 -172.022 . . . . . . . . 1 1 . 1 . 002 ecloud build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.1 mt -87.7 -44.63 11.03 Favored 'General case' 0 C--N 1.386 2.162 0 C-N-CA 125.52 1.528 . . . . 0.0 112.518 -174.138 . . . . . . . . 1 1 . 1 . 002 ecloud build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.23 -69.67 1.36 Allowed Glycine 0 N--CA 1.47 0.933 0 C-N-CA 119.524 -1.322 . . . . 0.0 114.738 -175.516 . . . . . . . . 1 1 . 1 . 002 ecloud build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.6 -70.77 0.35 Allowed 'General case' 0 CA--C 1.486 -1.487 0 N-CA-C 116.169 1.914 . . . . 0.0 116.169 175.448 . . . . . . . . 1 1 . 1 . 002 ecloud build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.89 -43.93 94.51 Favored 'General case' 0 CA--C 1.568 1.667 1 O-C-N 116.008 -4.183 . . . . 0.0 109.823 -170.998 . . . . . . . . 2 2 . 1 . 002 ecloud build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.14 120.45 4.51 Favored Glycine 0 C--N 1.396 3.895 0 O-C-N 117.867 -3.021 . . . . 0.0 106.613 165.084 . . . . . . . . 1 1 . 1 . 002 ecloud build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.5 t -145.37 -141.56 0.12 Allowed 'General case' 0 C--O 1.243 0.759 0 CA-C-O 114.108 -2.853 . . . . 0.0 109.352 -179.563 . . . . . . . . 1 1 . 1 . 002 ecloud build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 92.9 m -127.66 111.93 14.28 Favored 'General case' 0 C--N 1.285 -2.198 0 CA-C-N 123.132 2.696 . . . . 0.0 109.198 -166.795 . . . . . . . . 1 1 . 1 . 002 ecloud build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 11.4 ttt -91.25 -100.74 0.11 Allowed 'General case' 0 CA--C 1.559 1.305 0 O-C-N 119.113 -2.242 . . . . 0.0 109.556 179.541 . . . . . . . . 1 1 . 1 . 002 ecloud build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -155.38 -135.08 1.96 Allowed Glycine 0 C--N 1.296 -1.66 0 CA-C-O 115.714 -2.714 . . . . 0.0 113.467 -174.944 . . . . . . . . 1 1 . 1 . 002 ecloud build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -174.76 174.79 2.54 Favored 'General case' 0 C--O 1.185 -2.316 0 CA-C-O 124.787 2.232 . . . . 0.0 106.332 -173.758 . . . . . . . . 1 1 . 1 . 002 ecloud build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -102.08 -47.19 4.63 Favored 'General case' 0 C--N 1.384 2.08 0 O-C-N 118.18 -2.825 . . . . 0.0 107.583 -170.956 . . . . . . . . 1 1 . 1 . 002 ecloud build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.0 p -57.92 -59.75 4.78 Favored 'General case' 0 N--CA 1.401 -2.91 0 N-CA-C 118.119 2.637 . . . . 0.0 118.119 176.659 . . . . . . . . 1 1 . 1 . 002 ecloud build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.385 2.145 0 O-C-N 121.95 -0.469 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 ecloud build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.522 3.169 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 . . . . . . . . . 0 0 . 1 . 003 ecloud build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.8 m -82.61 156.59 3.92 Favored 'Isoleucine or valine' 0 C--N 1.383 2.023 0 CA-C-N 125.025 3.557 . . . . 0.0 113.471 160.766 . . . . . . . . 1 1 . 1 . 003 ecloud build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -84.61 77.17 2.14 Favored Glycine 0 C--O 1.203 -1.821 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 -171.34 . . . . . . . . 1 1 . 1 . 003 ecloud build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 47.4 mm -62.55 -50.11 81.14 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.983 0 C-N-CA 130.071 3.348 . . . . 0.0 108.332 -178.32 . . . . . . . . 1 1 . 1 . 003 ecloud build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -79.84 -35.2 28.75 Favored Glycine 0 C--O 1.173 -3.666 0 O-C-N 119.876 -1.765 . . . . 0.0 109.502 -177.236 . . . . . . . . 1 1 . 1 . 003 ecloud build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.83 -52.25 21.55 Favored 'General case' 0 C--N 1.309 -1.195 0 C-N-CA 128.649 2.78 . . . . 0.0 113.231 -171.751 . . . . . . . . 1 1 . 1 . 003 ecloud build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.4 tp -68.37 -59.05 3.47 Favored 'General case' 0 N--CA 1.499 2.017 0 CA-C-O 125.651 2.643 . . . . 0.0 114.23 173.548 . . . . . . . . 1 1 . 1 . 003 ecloud build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -76.23 -47.16 24.95 Favored 'General case' 0 C--N 1.373 1.625 1 O-C-N 114.49 -5.131 . . . . 0.0 113.898 -171.381 . . . . . . . . 2 2 . 1 . 003 ecloud build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 27.2 mt -92.23 -36.47 13.23 Favored 'General case' 0 C--O 1.211 -0.955 0 O-C-N 118.79 -2.444 . . . . 0.0 110.265 -173.364 . . . . . . . . 1 1 . 1 . 003 ecloud build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.03 -69.5 1.39 Allowed Glycine 0 C--N 1.373 2.599 0 O-C-N 117.509 -3.245 . . . . 0.0 107.805 -176.622 . . . . . . . . 1 1 . 1 . 003 ecloud build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -80.68 -65.06 1.06 Allowed 'General case' 0 C--O 1.18 -2.56 0 N-CA-C 114.625 1.343 . . . . 0.0 114.625 -175.304 . . . . . . . . 1 1 . 1 . 003 ecloud build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.6 mt -62.27 -34.02 75.75 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 118.914 -2.366 . . . . 0.0 113.699 -175.235 . . . . . . . . 1 1 . 1 . 003 ecloud build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.71 -75.05 1.2 Allowed Glycine 0 C--O 1.187 -2.84 0 CA-C-O 126.596 3.331 . . . . 0.0 120.213 176.136 . . . . . . . . 1 1 . 1 . 003 ecloud build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.33 -46.48 66.97 Favored 'General case' 0 C--O 1.255 1.364 0 O-C-N 118.17 -2.959 . . . . 0.0 112.504 -171.367 . . . . . . . . 1 1 . 1 . 003 ecloud build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.43 -42.98 11.19 Favored 'General case' 0 C--O 1.189 -2.115 0 N-CA-C 105.873 -1.899 . . . . 0.0 105.873 -173.445 . . . . . . . . 1 1 . 1 . 003 ecloud build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 105.8 140.16 9.96 Favored Glycine 0 C--N 1.368 2.333 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.684 160.848 . . . . . . . . 1 1 . 1 . 003 ecloud build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.9 t -161.38 161.36 30.32 Favored 'General case' 0 N--CA 1.506 2.374 0 CA-C-O 124.208 1.956 . . . . 0.0 109.482 171.881 . . . . . . . . 1 1 . 1 . 003 ecloud build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 88.9 m -66.63 120.55 13.64 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 118.462 -2.649 . . . . 0.0 108.126 167.986 . . . . . . . . 1 1 . 1 . 003 ecloud build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 24.8 ttt -95.03 -41.98 8.86 Favored 'General case' 0 N--CA 1.401 -2.918 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 -179.939 . . . . . . . . 1 1 . 1 . 003 ecloud build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 153.99 -154.51 25.56 Favored Glycine 0 N--CA 1.398 -3.856 0 C-N-CA 125.693 1.616 . . . . 0.0 111.848 179.884 . . . . . . . . 1 1 . 1 . 003 ecloud build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . 0.251 . . -151.7 160.32 43.66 Favored 'General case' 0 CA--C 1.497 -1.074 0 O-C-N 117.602 -3.293 . . . . 0.0 112.269 -178.886 . . . . . . . . 2 2 . 1 . 003 ecloud build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 29.3 mtp180 -65.84 -90.46 0.01 OUTLIER 'General case' 0 C--O 1.273 2.306 0 O-C-N 127.434 2.959 . . . . 0.0 113.379 -178.431 . . . . . . . . 1 1 . 1 . 003 ecloud build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 91.2 p -80.41 -21.1 42.55 Favored 'General case' 0 C--N 1.379 1.868 0 O-C-N 118.614 -2.553 . . . . 0.0 115.921 163.462 . . . . . . . . 1 1 . 1 . 003 ecloud build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.448 0 CA-C-N 112.655 -2.066 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 ecloud build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.106 0 CA-C-O 116.569 -1.681 . . . . 0.0 108.983 . . . . . . . . . 0 0 . 1 . 004 ecloud build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.5 m -100.74 160.13 3.73 Favored 'Isoleucine or valine' 0 C--O 1.285 2.969 0 CA-C-N 120.662 1.574 . . . . 0.0 114.686 -174.445 . . . . . . . . 1 1 . 1 . 004 ecloud build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -81.33 92.44 1.49 Allowed Glycine 0 N--CA 1.441 -0.978 0 O-C-N 127.353 2.908 . . . . 0.0 108.514 174.946 . . . . . . . . 1 1 . 1 . 004 ecloud build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.0 mm -69.44 -32.88 54.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 CA-C-O 122.675 1.226 . . . . 0.0 108.743 -176.145 . . . . . . . . 1 1 . 1 . 004 ecloud build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.2 -55.4 7.04 Favored Glycine 0 CA--C 1.47 -2.734 0 CA-C-N 114.133 -1.394 . . . . 0.0 115.445 177.315 . . . . . . . . 1 1 . 1 . 004 ecloud build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.92 -49.93 75.47 Favored 'General case' 0 C--O 1.196 -1.744 0 O-C-N 118.383 -2.833 . . . . 0.0 114.043 -171.091 . . . . . . . . 1 1 . 1 . 004 ecloud build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 23.0 tp -66.62 -61.88 1.75 Allowed 'General case' 0 C--O 1.258 1.525 0 CA-C-O 118.084 -0.96 . . . . 0.0 110.158 -176.239 . . . . . . . . 1 1 . 1 . 004 ecloud build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -74.83 -60.49 2.26 Favored 'General case' 0 CA--C 1.478 -1.819 0 CA-C-O 115.886 -2.007 . . . . 0.0 111.75 -173.399 . . . . . . . . 1 1 . 1 . 004 ecloud build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 24.4 mt -73.62 -34.63 65.1 Favored 'General case' 0 C--N 1.28 -2.436 0 N-CA-C 118.434 2.753 . . . . 0.0 118.434 178.241 . . . . . . . . 1 1 . 1 . 004 ecloud build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -79.83 -57.88 2.96 Favored Glycine 0 C--N 1.31 -0.889 0 CA-C-N 114.517 -1.219 . . . . 0.0 114.189 -176.843 . . . . . . . . 1 1 . 1 . 004 ecloud build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -85.1 -52.37 6.0 Favored 'General case' 0 C--O 1.285 2.95 0 O-C-N 119.845 -1.973 . . . . 0.0 109.882 -169.523 . . . . . . . . 1 1 . 1 . 004 ecloud build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.7 mt -83.97 -26.45 29.23 Favored 'General case' 0 CA--C 1.475 -1.942 0 CA-C-O 122.869 1.319 . . . . 0.0 112.618 -172.455 . . . . . . . . 1 1 . 1 . 004 ecloud build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -90.69 -60.55 1.35 Allowed Glycine 0 N--CA 1.413 -2.872 1 N-CA-C 123.749 4.26 . . . . 0.0 123.749 175.046 . . . . . . . . 2 2 . 1 . 004 ecloud build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.82 -52.98 11.3 Favored 'General case' 0 C--O 1.275 2.423 0 O-C-N 119.67 -2.077 . . . . 0.0 111.723 179.703 . . . . . . . . 1 1 . 1 . 004 ecloud build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.32 -58.56 5.61 Favored 'General case' 0 C--N 1.357 0.919 0 O-C-N 118.168 -2.832 . . . . 0.0 112.233 -177.361 . . . . . . . . 1 1 . 1 . 004 ecloud build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 117.97 45.34 0.5 Allowed Glycine 0 N--CA 1.404 -3.444 0 CA-C-O 115.838 -2.645 . . . . 0.0 118.619 175.162 . . . . . . . . 1 1 . 1 . 004 ecloud build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.5 t -77.43 -172.17 2.4 Favored 'General case' 0 C--O 1.268 2.034 0 C-N-CA 112.814 -3.554 . . . . 0.0 116.819 175.925 . . . . . . . . 1 1 . 1 . 004 ecloud build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.2 m -111.0 90.26 3.28 Favored 'General case' 0 C--N 1.377 1.778 0 C-N-CA 125.556 1.542 . . . . 0.0 108.938 -168.084 . . . . . . . . 1 1 . 1 . 004 ecloud build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.7 ttp -78.03 -48.55 15.89 Favored 'General case' 0 C--N 1.364 1.206 0 O-C-N 119.19 -2.194 . . . . 0.0 106.786 173.254 . . . . . . . . 1 1 . 1 . 004 ecloud build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 142.99 -149.69 21.58 Favored Glycine 0 N--CA 1.494 2.532 0 CA-C-O 125.177 2.543 . . . . 0.0 112.003 155.958 . . . . . . . . 1 1 . 1 . 004 ecloud build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.65 167.67 14.21 Favored 'General case' 0 C--O 1.259 1.584 0 O-C-N 118.008 -3.054 . . . . 0.0 116.641 -173.464 . . . . . . . . 1 1 . 1 . 004 ecloud build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.1 mtp180 -65.07 -57.19 9.26 Favored 'General case' 0 C--N 1.38 1.92 0 CA-C-N 110.155 -3.202 . . . . 0.0 117.186 -179.777 . . . . . . . . 1 1 . 1 . 004 ecloud build full ' A' A ' 23' ' ' SER . . . . . 0.414 ' HG ' ' N ' ' A' ' 24' ' ' NH2 . 77.5 p -87.78 -75.94 0.4 Allowed 'General case' 0 C--N 1.392 2.438 1 CA-C-N 107.629 -4.35 . . . . 0.0 108.692 -177.963 . . . . . . . . 3 3 . 1 . 004 ecloud build full ' A' A ' 24' ' ' NH2 . . . . . 0.414 ' N ' ' HG ' ' A' ' 23' ' ' SER . . . . . . . . 0 C--N 1.332 -0.185 1 O-C-N 115.374 -4.579 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 ecloud build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.776 0 CA-C-O 122.318 1.056 . . . . 0.0 112.19 . . . . . . . . . 0 0 . 1 . 005 ecloud build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.7 m -125.96 158.18 35.4 Favored 'Isoleucine or valine' 0 C--O 1.269 2.124 0 CA-C-O 123.979 1.847 . . . . 0.0 106.268 178.223 . . . . . . . . 1 1 . 1 . 005 ecloud build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -77.96 100.11 1.58 Allowed Glycine 0 CA--C 1.542 1.77 0 N-CA-C 119.468 2.547 . . . . 0.0 119.468 159.303 . . . . . . . . 1 1 . 1 . 005 ecloud build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 50.5 mm -79.73 -50.69 17.53 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.379 0 O-C-N 118.996 -2.473 . . . . 0.0 113.72 177.782 . . . . . . . . 1 1 . 1 . 005 ecloud build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -76.58 -33.58 47.11 Favored Glycine 0 N--CA 1.477 1.384 0 O-C-N 117.055 -3.528 . . . . 0.0 109.222 177.594 . . . . . . . . 1 1 . 1 . 005 ecloud build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.98 -33.27 62.32 Favored 'General case' 0 N--CA 1.409 -2.489 0 C-N-CA 131.058 3.743 . . . . 0.0 117.138 166.656 . . . . . . . . 1 1 . 1 . 005 ecloud build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.5 tp -71.17 -66.71 0.58 Allowed 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 126.708 2.003 . . . . 0.0 110.612 166.668 . . . . . . . . 1 1 . 1 . 005 ecloud build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.286 40.9 m-85 -61.27 -56.79 16.5 Favored 'General case' 0 N--CA 1.427 -1.588 0 N-CA-C 117.954 2.576 . . . . 0.0 117.954 -167.951 . . . . . . . . 2 2 . 1 . 005 ecloud build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.8 mt -94.25 -36.01 12.19 Favored 'General case' 0 N--CA 1.412 -2.331 0 CA-C-N 110.507 -3.042 . . . . 0.0 107.68 -169.381 . . . . . . . . 1 1 . 1 . 005 ecloud build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.15 -59.3 2.44 Favored Glycine 0 C--N 1.385 3.27 0 O-C-N 127.546 3.029 . . . . 0.0 111.859 -177.828 . . . . . . . . 1 1 . 1 . 005 ecloud build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -83.34 -43.06 16.37 Favored 'General case' 0 CA--C 1.498 -1.04 0 O-C-N 119.409 -2.23 . . . . 0.0 113.268 -172.917 . . . . . . . . 1 1 . 1 . 005 ecloud build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.5 mt -81.74 -39.26 24.46 Favored 'General case' 0 C--N 1.363 1.19 0 N-CA-C 116.791 2.145 . . . . 0.0 116.791 -179.585 . . . . . . . . 1 1 . 1 . 005 ecloud build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.66 -82.78 0.46 Allowed Glycine 0 N--CA 1.425 -2.06 0 C-N-CA 129.159 3.266 . . . . 0.0 113.833 175.821 . . . . . . . . 1 1 . 1 . 005 ecloud build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . 0.304 . . -50.13 -60.08 3.3 Favored 'General case' 1 N--CA 1.377 -4.084 1 C-N-CA 132.818 4.447 . . . . 0.0 111.25 -172.483 . . . . . . . . 4 2 . 1 . 005 ecloud build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.83 -68.75 0.51 Allowed 'General case' 0 C--N 1.376 1.722 0 CA-C-N 111.796 -2.457 . . . . 0.0 114.983 -177.528 . . . . . . . . 1 1 . 1 . 005 ecloud build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 132.07 53.6 0.09 OUTLIER Glycine 0 C--N 1.387 3.391 1 O-C-N 114.717 -4.989 . . . . 0.0 113.807 159.596 . . . . . . . . 2 2 . 1 . 005 ecloud build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.8 t -91.45 144.9 25.09 Favored 'General case' 0 C--N 1.38 1.914 0 C-N-CA 118.276 -1.369 . . . . 0.0 110.631 162.682 . . . . . . . . 1 1 . 1 . 005 ecloud build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 63.5 m -73.08 126.58 30.34 Favored 'General case' 0 N--CA 1.509 2.492 0 N-CA-C 106.599 -1.63 . . . . 0.0 106.599 -179.445 . . . . . . . . 1 1 . 1 . 005 ecloud build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 25.7 ttt -84.72 -52.48 6.04 Favored 'General case' 0 CA--C 1.486 -1.506 0 C-N-CA 126.061 1.744 . . . . 0.0 114.165 159.827 . . . . . . . . 1 1 . 1 . 005 ecloud build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -177.08 -174.76 43.79 Favored Glycine 0 C--N 1.373 2.617 0 O-C-N 119.696 -1.878 . . . . 0.0 111.406 176.985 . . . . . . . . 1 1 . 1 . 005 ecloud build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.1 -173.57 4.54 Favored 'General case' 0 CA--C 1.48 -1.745 0 CA-C-O 115.378 -2.249 . . . . 0.0 112.899 176.576 . . . . . . . . 1 1 . 1 . 005 ecloud build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.5 mtp180 -97.21 -82.71 0.4 Allowed 'General case' 0 C--N 1.364 1.227 0 N-CA-C 121.187 3.773 . . . . 0.0 121.187 167.093 . . . . . . . . 1 1 . 1 . 005 ecloud build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.7 p -87.89 -75.66 0.41 Allowed 'General case' 0 N--CA 1.501 2.102 0 CA-C-O 123.467 1.603 . . . . 0.0 109.897 -178.555 . . . . . . . . 1 1 . 1 . 005 ecloud build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.369 1.451 0 O-C-N 120.615 -1.303 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 ecloud build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.452 -2.82 0 CA-C-O 124.536 2.112 . . . . 0.0 107.497 . . . . . . . . . 0 0 . 1 . 006 ecloud build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.0 m -93.68 135.23 28.79 Favored 'Isoleucine or valine' 0 CA--C 1.476 -1.902 0 C-N-CA 127.751 2.42 . . . . 0.0 107.208 173.071 . . . . . . . . 1 1 . 1 . 006 ecloud build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.04 93.04 0.85 Allowed Glycine 0 C--N 1.35 1.346 0 O-C-N 119.267 -2.146 . . . . 0.0 117.902 172.522 . . . . . . . . 1 1 . 1 . 006 ecloud build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 16.3 mm -53.92 -63.24 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.285 -2.196 0 CA-C-O 115.076 -2.392 . . . . 0.0 116.655 172.089 . . . . . . . . 1 1 . 1 . 006 ecloud build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -62.34 -40.07 98.57 Favored Glycine 0 C--N 1.358 1.784 0 CA-C-O 127.452 3.807 . . . . 0.0 116.089 171.856 . . . . . . . . 1 1 . 1 . 006 ecloud build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -41.39 -48.45 3.74 Favored 'General case' 0 C--N 1.375 1.702 0 O-C-N 116.828 -3.748 . . . . 0.0 116.818 169.014 . . . . . . . . 1 1 . 1 . 006 ecloud build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.331 25.9 tp -84.86 -53.11 5.55 Favored 'General case' 0 CA--C 1.593 2.613 0 CA-C-O 121.7 0.762 . . . . 0.0 110.716 177.151 . . . . . . . . 2 2 . 1 . 006 ecloud build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -70.12 -46.48 64.71 Favored 'General case' 0 N--CA 1.422 -1.874 0 O-C-N 119.628 -1.92 . . . . 0.0 113.293 -168.363 . . . . . . . . 1 1 . 1 . 006 ecloud build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.7 mt -82.89 -50.14 8.92 Favored 'General case' 0 C--N 1.39 2.331 0 C-N-CA 128.802 2.841 . . . . 0.0 114.932 178.175 . . . . . . . . 1 1 . 1 . 006 ecloud build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.66 -70.55 0.93 Allowed Glycine 1 C--N 1.404 4.345 0 C-N-CA 127.856 2.646 . . . . 0.0 114.676 171.372 . . . . . . . . 2 2 . 1 . 006 ecloud build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -84.65 -53.49 5.35 Favored 'General case' 0 CA--C 1.5 -0.947 0 N-CA-C 120.099 3.37 . . . . 0.0 120.099 -165.65 . . . . . . . . 1 1 . 1 . 006 ecloud build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.8 mt -70.79 -56.08 7.14 Favored 'General case' 0 N--CA 1.408 -2.529 0 CA-C-O 124.32 2.01 . . . . 0.0 110.261 172.293 . . . . . . . . 1 1 . 1 . 006 ecloud build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.0 -88.76 0.02 OUTLIER Glycine 0 CA--C 1.558 2.746 1 O-C-N 115.328 -4.607 . . . . 0.0 116.192 171.288 . . . . . . . . 2 2 . 1 . 006 ecloud build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.74 -59.05 5.06 Favored 'General case' 0 CA--C 1.582 2.185 0 CA-C-N 119.03 1.415 . . . . 0.0 113.949 -166.203 . . . . . . . . 1 1 . 1 . 006 ecloud build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.28 -60.66 2.95 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 116.712 2.115 . . . . 0.0 116.712 170.617 . . . . . . . . 1 1 . 1 . 006 ecloud build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.5 46.45 1.67 Allowed Glycine 0 C--N 1.391 3.629 0 N-CA-C 117.536 1.774 . . . . 0.0 117.536 171.955 . . . . . . . . 1 1 . 1 . 006 ecloud build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.8 t -77.61 170.22 16.94 Favored 'General case' 0 CA--C 1.571 1.776 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 159.641 . . . . . . . . 1 1 . 1 . 006 ecloud build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.2 m -99.44 138.31 36.71 Favored 'General case' 0 C--O 1.249 1.063 0 CA-C-O 125.615 2.626 . . . . 0.0 111.121 -167.624 . . . . . . . . 1 1 . 1 . 006 ecloud build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 7.7 ttt -95.59 -64.87 1.02 Allowed 'General case' 0 C--O 1.212 -0.882 0 CA-C-N 113.005 -1.907 . . . . 0.0 109.633 176.349 . . . . . . . . 1 1 . 1 . 006 ecloud build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 178.94 -176.33 47.9 Favored Glycine 0 C--N 1.284 -2.31 1 C-N-CA 131.373 4.32 . . . . 0.0 112.39 -168.912 . . . . . . . . 2 2 . 1 . 006 ecloud build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -161.35 160.41 29.56 Favored 'General case' 0 C--N 1.369 1.441 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 -179.794 . . . . . . . . 1 1 . 1 . 006 ecloud build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 -78.04 -79.87 0.12 Allowed 'General case' 0 N--CA 1.502 2.15 0 C-N-CA 128.863 2.865 . . . . 0.0 111.133 178.267 . . . . . . . . 1 1 . 1 . 006 ecloud build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . 0.322 76.6 p -83.11 -56.2 3.92 Favored 'General case' 0 CA--C 1.605 3.088 0 CA-C-O 115.02 -2.419 . . . . 0.0 108.672 178.277 . . . . . . . . 2 2 . 1 . 006 ecloud build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 0.474 1 O-C-N 129.343 4.152 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 ecloud build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 0.35 . . . . . . . 0 N--CA 1.488 1.461 0 N-CA-C 117.305 2.335 . . . . 0.0 117.305 . . . . . . . . . 1 1 . 1 . 007 ecloud build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -121.43 176.77 3.89 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.225 0 CA-C-O 124.448 2.07 . . . . 0.0 113.627 173.03 . . . . . . . . 2 2 . 1 . 007 ecloud build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -95.56 82.94 0.86 Allowed Glycine 0 CA--C 1.462 -3.244 0 C-N-CA 127.584 2.516 . . . . 0.0 117.45 165.665 . . . . . . . . 1 1 . 1 . 007 ecloud build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.0 mm -59.98 -62.18 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 129.411 3.084 . . . . 0.0 110.451 174.333 . . . . . . . . 1 1 . 1 . 007 ecloud build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.0 -30.26 68.03 Favored Glycine 0 CA--C 1.463 -3.179 0 C-N-CA 116.492 -2.766 . . . . 0.0 112.126 -173.306 . . . . . . . . 1 1 . 1 . 007 ecloud build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.43 -37.05 82.11 Favored 'General case' 0 C--N 1.367 1.358 1 CA-C-O 129.145 4.307 . . . . 0.0 110.701 -175.529 . . . . . . . . 2 2 . 1 . 007 ecloud build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 52.2 tp -81.09 -71.32 0.48 Allowed 'General case' 0 C--N 1.368 1.409 0 O-C-N 118.225 -2.797 . . . . 0.0 108.495 178.297 . . . . . . . . 1 1 . 1 . 007 ecloud build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -67.71 -48.46 66.46 Favored 'General case' 0 N--CA 1.534 3.734 0 O-C-N 118.255 -2.778 . . . . 0.0 110.486 -168.826 . . . . . . . . 1 1 . 1 . 007 ecloud build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.7 mt -90.58 -31.73 16.58 Favored 'General case' 0 N--CA 1.398 -3.044 1 O-C-N 113.114 -5.991 . . . . 0.0 109.511 -173.072 . . . . . . . . 2 2 . 1 . 007 ecloud build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.81 -74.15 1.28 Allowed Glycine 0 C--N 1.38 3.005 0 CA-C-N 118.676 0.671 . . . . 0.0 113.844 173.965 . . . . . . . . 1 1 . 1 . 007 ecloud build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -74.64 -39.18 62.24 Favored 'General case' 0 CA--C 1.577 1.986 0 O-C-N 117.577 -3.307 . . . . 0.0 107.106 -157.162 . . . . . . . . 1 1 . 1 . 007 ecloud build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.3 mt -83.76 -47.18 11.43 Favored 'General case' 0 N--CA 1.408 -2.534 0 CA-C-N 114.109 -1.405 . . . . 0.0 112.064 -178.413 . . . . . . . . 1 1 . 1 . 007 ecloud build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.37 -84.91 0.1 OUTLIER Glycine 1 CA--C 1.437 -4.842 0 CA-C-O 126.917 3.509 . . . . 0.0 115.247 -176.67 . . . . . . . . 2 2 . 1 . 007 ecloud build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.06 -32.78 44.94 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 117.407 -3.408 . . . . 0.0 112.338 -169.161 . . . . . . . . 1 1 . 1 . 007 ecloud build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.37 -66.68 0.59 Allowed 'General case' 0 C--O 1.195 -1.795 0 CA-C-O 123.561 1.648 . . . . 0.0 113.18 175.477 . . . . . . . . 1 1 . 1 . 007 ecloud build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.76 47.85 0.24 Allowed Glycine 0 C--N 1.38 3.007 0 O-C-N 117.17 -3.457 . . . . 0.0 112.162 161.382 . . . . . . . . 1 1 . 1 . 007 ecloud build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.8 m -84.96 153.7 22.63 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 113.803 -3.159 . . . . 0.0 106.569 174.634 . . . . . . . . 1 1 . 1 . 007 ecloud build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . 0.264 62.6 m -60.04 122.28 13.95 Favored 'General case' 0 N--CA 1.416 -2.16 0 O-C-N 117.46 -3.275 . . . . 0.0 114.344 -178.11 . . . . . . . . 2 2 . 1 . 007 ecloud build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 6.0 ttt -103.44 -95.36 0.31 Allowed 'General case' 0 CA--C 1.459 -2.525 0 C-N-CA 126.435 1.894 . . . . 0.0 108.477 -174.164 . . . . . . . . 1 1 . 1 . 007 ecloud build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -144.57 117.27 1.02 Allowed Glycine 0 C--O 1.187 -2.819 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 173.155 . . . . . . . . 1 1 . 1 . 007 ecloud build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.07 158.05 15.77 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-N 121.352 2.576 . . . . 0.0 106.702 179.381 . . . . . . . . 1 1 . 1 . 007 ecloud build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -83.95 -96.63 0.06 Allowed 'General case' 0 N--CA 1.497 1.909 0 O-C-N 126.333 2.27 . . . . 0.0 112.359 178.341 . . . . . . . . 1 1 . 1 . 007 ecloud build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . 0.251 29.5 p -65.28 -22.81 66.89 Favored 'General case' 0 C--N 1.39 2.339 0 N-CA-C 118.902 2.927 . . . . 0.0 118.902 -179.387 . . . . . . . . 2 2 . 1 . 007 ecloud build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 113.617 -1.628 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 ecloud build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.411 -2.392 0 N-CA-C 115.677 1.732 . . . . 0.0 115.677 . . . . . . . . . 0 0 . 1 . 008 ecloud build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.9 m -135.86 164.42 32.28 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.974 0 O-C-N 118.44 -2.663 . . . . 0.0 110.409 178.729 . . . . . . . . 1 1 . 1 . 008 ecloud build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.88 77.66 1.77 Allowed Glycine 0 N--CA 1.486 1.989 0 C-N-CA 127.028 2.251 . . . . 0.0 112.462 -169.177 . . . . . . . . 1 1 . 1 . 008 ecloud build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 36.8 mm -63.55 -54.2 35.43 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.339 0 O-C-N 118.037 -3.037 . . . . 0.0 107.495 179.963 . . . . . . . . 1 1 . 1 . 008 ecloud build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.11 -34.88 50.93 Favored Glycine 0 C--N 1.394 3.782 0 CA-C-O 117.758 -1.579 . . . . 0.0 112.035 -178.652 . . . . . . . . 1 1 . 1 . 008 ecloud build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -46.78 -39.23 11.4 Favored 'General case' 0 CA--C 1.594 2.669 0 CA-C-N 119.778 1.789 . . . . 0.0 115.6 162.83 . . . . . . . . 1 1 . 1 . 008 ecloud build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 19.7 tp -78.12 -58.32 3.32 Favored 'General case' 0 N--CA 1.404 -2.762 0 CA-C-O 124.312 2.006 . . . . 0.0 109.846 177.908 . . . . . . . . 1 1 . 1 . 008 ecloud build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.288 15.2 m-85 -65.29 -59.22 4.29 Favored 'General case' 0 CA--C 1.552 1.056 0 O-C-N 117.39 -3.319 . . . . 0.0 111.439 -168.557 . . . . . . . . 2 2 . 1 . 008 ecloud build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 84.5 mt -79.46 -39.99 30.91 Favored 'General case' 0 N--CA 1.439 -1.022 1 O-C-N 115.477 -4.514 . . . . 0.0 114.141 -179.165 . . . . . . . . 2 2 . 1 . 008 ecloud build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.68 -72.94 1.02 Allowed Glycine 1 C--N 1.418 5.121 0 N-CA-C 117.389 1.716 . . . . 0.0 117.389 179.855 . . . . . . . . 2 2 . 1 . 008 ecloud build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -71.9 -51.48 22.03 Favored 'General case' 0 C--N 1.362 1.143 0 C-N-CA 127.153 2.181 . . . . 0.0 109.001 -165.495 . . . . . . . . 1 1 . 1 . 008 ecloud build full ' A' A ' 12' ' ' LEU . . . . . 0.536 HD22 ' HB2' ' A' ' 19' ' ' MET . 78.2 mt -57.9 -81.92 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.745 0 O-C-N 119.632 -1.917 . . . . 0.0 114.871 166.006 . . . . . . . . 2 2 . 1 . 008 ecloud build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -43.38 -65.27 1.54 Allowed Glycine 0 C--N 1.387 3.368 1 N-CA-C 123.748 4.259 . . . . 0.0 123.748 178.354 . . . . . . . . 2 2 . 1 . 008 ecloud build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.78 -57.06 4.68 Favored 'General case' 0 C--N 1.364 1.203 0 O-C-N 116.809 -3.759 . . . . 0.0 115.181 178.501 . . . . . . . . 1 1 . 1 . 008 ecloud build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . 0.267 . . -62.66 -88.43 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.513 0 O-C-N 120.444 -1.41 . . . . 0.0 113.693 -178.624 . . . . . . . . 2 2 . 1 . 008 ecloud build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 165.78 -2.03 0.05 OUTLIER Glycine 0 C--O 1.203 -1.831 1 C-N-CA 112.796 -4.526 . . . . 0.0 113.302 -162.523 . . . . . . . . 2 2 . 1 . 008 ecloud build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.9 m -81.03 126.19 31.11 Favored 'General case' 0 C--O 1.167 -3.289 0 CA-C-N 118.431 1.116 . . . . 0.0 113.501 -171.551 . . . . . . . . 1 1 . 1 . 008 ecloud build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 85.2 m -60.17 117.61 5.35 Favored 'General case' 0 C--O 1.268 2.057 0 N-CA-C 115.871 1.804 . . . . 0.0 115.871 -178.704 . . . . . . . . 1 1 . 1 . 008 ecloud build full ' A' A ' 19' ' ' MET . . . . . 0.536 ' HB2' HD22 ' A' ' 12' ' ' LEU . 40.5 ttp -84.62 -47.34 10.62 Favored 'General case' 0 C--O 1.244 0.764 0 O-C-N 119.104 -2.248 . . . . 0.0 108.754 163.367 . . . . . . . . 2 2 . 1 . 008 ecloud build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -160.71 168.64 36.2 Favored Glycine 0 C--O 1.265 2.053 0 CA-C-O 114.573 -3.349 . . . . 0.0 113.634 170.743 . . . . . . . . 1 1 . 1 . 008 ecloud build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.67 161.45 29.64 Favored 'General case' 0 CA--C 1.493 -1.222 0 CA-C-O 125.109 2.385 . . . . 0.0 106.265 173.176 . . . . . . . . 1 1 . 1 . 008 ecloud build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.291 35.8 mtp180 -94.7 -137.81 0.22 Allowed 'General case' 0 CA--C 1.582 2.183 0 CA-C-N 111.894 -2.412 . . . . 0.0 113.838 173.31 . . . . . . . . 2 2 . 1 . 008 ecloud build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 88.3 p -68.27 -41.0 81.71 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 -170.669 . . . . . . . . 1 1 . 1 . 008 ecloud build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.366 1.309 0 O-C-N 121.457 -0.777 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 ecloud build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.518 2.974 0 CA-C-O 118.621 -0.705 . . . . 0.0 112.722 . . . . . . . . . 0 0 . 1 . 009 ecloud build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.2 m -94.28 -177.82 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.391 2.398 0 C-N-CA 127.198 2.199 . . . . 0.0 115.393 176.414 . . . . . . . . 1 1 . 1 . 009 ecloud build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -97.99 86.57 0.8 Allowed Glycine 0 C--N 1.365 2.192 0 CA-C-O 125.457 2.698 . . . . 0.0 116.245 -175.021 . . . . . . . . 1 1 . 1 . 009 ecloud build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . 0.348 6.7 mm -62.83 -36.59 76.17 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.075 0 O-C-N 120.258 -1.73 . . . . 0.0 115.395 -176.155 . . . . . . . . 2 2 . 1 . 009 ecloud build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -82.36 -31.41 30.94 Favored Glycine 0 CA--C 1.454 -3.778 0 CA-C-N 112.414 -2.175 . . . . 0.0 116.054 177.036 . . . . . . . . 1 1 . 1 . 009 ecloud build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . 0.257 . . -60.41 -31.99 70.91 Favored 'General case' 0 C--O 1.197 -1.674 0 N-CA-C 117.958 2.577 . . . . 0.0 117.958 161.547 . . . . . . . . 2 2 . 1 . 009 ecloud build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 27.8 tp -73.33 -73.5 0.21 Allowed 'General case' 0 C--N 1.361 1.096 0 CA-C-O 124.423 2.059 . . . . 0.0 107.801 173.295 . . . . . . . . 1 1 . 1 . 009 ecloud build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -64.42 -62.11 1.8 Allowed 'General case' 0 C--N 1.408 3.132 0 N-CA-C 117.731 2.493 . . . . 0.0 117.731 -169.024 . . . . . . . . 1 1 . 1 . 009 ecloud build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 43.2 mt -77.17 -33.13 56.57 Favored 'General case' 0 C--N 1.364 1.206 0 N-CA-C 117.356 2.354 . . . . 0.0 117.356 -176.607 . . . . . . . . 1 1 . 1 . 009 ecloud build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.27 -74.97 1.24 Allowed Glycine 1 N--CA 1.378 -5.229 0 O-C-N 126.287 2.242 . . . . 0.0 117.017 175.446 . . . . . . . . 2 2 . 1 . 009 ecloud build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -58.22 -48.98 78.67 Favored 'General case' 0 N--CA 1.498 1.942 0 CA-C-N 122.59 3.195 . . . . 0.0 113.88 -178.5 . . . . . . . . 1 1 . 1 . 009 ecloud build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.4 mt -84.57 -65.66 0.98 Allowed 'General case' 0 C--N 1.398 2.687 0 N-CA-C 104.972 -2.232 . . . . 0.0 104.972 -174.141 . . . . . . . . 1 1 . 1 . 009 ecloud build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.8 -66.81 2.57 Favored Glycine 0 CA--C 1.556 2.645 1 N-CA-C 126.607 5.403 . . . . 0.0 126.607 -176.042 . . . . . . . . 2 2 . 1 . 009 ecloud build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.26 -44.66 16.03 Favored 'General case' 0 CA--C 1.576 1.97 0 O-C-N 119.556 -2.143 . . . . 0.0 111.077 -175.379 . . . . . . . . 1 1 . 1 . 009 ecloud build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.33 -50.34 22.59 Favored 'General case' 0 N--CA 1.393 -3.3 0 CA-C-O 122.861 1.315 . . . . 0.0 111.215 -174.787 . . . . . . . . 1 1 . 1 . 009 ecloud build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 111.04 50.13 0.64 Allowed Glycine 0 CA--C 1.464 -3.105 0 O-C-N 118.307 -2.746 . . . . 0.0 115.751 166.862 . . . . . . . . 1 1 . 1 . 009 ecloud build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.3 m -68.52 146.61 52.96 Favored 'General case' 0 C--O 1.209 -1.056 0 CA-C-N 123.27 3.535 . . . . 0.0 110.603 167.512 . . . . . . . . 1 1 . 1 . 009 ecloud build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 43.9 m -102.84 123.28 46.2 Favored 'General case' 0 CA--C 1.581 2.151 0 N-CA-C 102.296 -3.224 . . . . 0.0 102.296 -178.925 . . . . . . . . 1 1 . 1 . 009 ecloud build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.8 ttp -88.61 -58.4 2.57 Favored 'General case' 0 N--CA 1.403 -2.817 1 C-N-CA 132.66 4.384 . . . . 0.0 113.198 -172.581 . . . . . . . . 2 2 . 1 . 009 ecloud build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -177.15 146.38 7.74 Favored Glycine 0 C--N 1.378 2.864 0 O-C-N 118.487 -2.633 . . . . 0.0 107.896 -165.753 . . . . . . . . 1 1 . 1 . 009 ecloud build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.78 152.76 33.7 Favored 'General case' 0 C--O 1.199 -1.565 0 CA-C-O 124.775 2.226 . . . . 0.0 111.428 174.928 . . . . . . . . 1 1 . 1 . 009 ecloud build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 64.3 mtp180 -81.08 -106.06 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 128.724 2.81 . . . . 0.0 107.222 176.819 . . . . . . . . 1 1 . 1 . 009 ecloud build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 95.2 p -77.45 18.67 0.4 Allowed 'General case' 0 C--O 1.277 2.524 0 CA-C-O 124.542 2.115 . . . . 0.0 113.549 173.388 . . . . . . . . 1 1 . 1 . 009 ecloud build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.367 1.351 1 O-C-N 114.64 -5.037 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 ecloud build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.491 -1.323 0 CA-C-O 120.935 0.397 . . . . 0.0 110.074 . . . . . . . . . 0 0 . 1 . 010 ecloud build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.2 m -119.25 165.24 14.77 Favored 'Isoleucine or valine' 0 CA--C 1.465 -2.319 0 O-C-N 118.508 -2.62 . . . . 0.0 106.918 178.916 . . . . . . . . 1 1 . 1 . 010 ecloud build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -96.77 96.26 1.86 Allowed Glycine 1 C--N 1.406 4.472 0 N-CA-C 109.334 -1.506 . . . . 0.0 109.334 -163.83 . . . . . . . . 2 2 . 1 . 010 ecloud build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.0 mm -71.42 -43.92 72.31 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.642 0 C-N-CA 123.994 0.918 . . . . 0.0 110.087 -174.587 . . . . . . . . 1 1 . 1 . 010 ecloud build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -51.38 -53.04 29.96 Favored Glycine 1 CA--C 1.58 4.126 0 O-C-N 118.417 -2.677 . . . . 0.0 112.244 165.97 . . . . . . . . 2 2 . 1 . 010 ecloud build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.25 -46.96 82.55 Favored 'General case' 0 C--N 1.402 2.89 0 O-C-N 127.723 2.661 . . . . 0.0 115.906 -176.014 . . . . . . . . 1 1 . 1 . 010 ecloud build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 15.7 tp -61.71 -70.0 0.21 Allowed 'General case' 0 C--N 1.415 3.424 0 O-C-N 118.652 -2.53 . . . . 0.0 115.783 167.269 . . . . . . . . 1 1 . 1 . 010 ecloud build full ' A' A ' 8' ' ' PHE . . . . . 0.436 ' HA ' HD12 ' A' ' 12' ' ' LEU . 56.7 m-85 -85.05 -38.95 18.56 Favored 'General case' 0 C--O 1.251 1.165 0 O-C-N 117.71 -3.119 . . . . 0.0 114.19 -155.334 . . . . . . . . 2 2 . 1 . 010 ecloud build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 tt -83.31 -61.68 1.79 Allowed 'General case' 0 N--CA 1.437 -1.109 0 O-C-N 119.869 -1.769 . . . . 0.0 110.444 171.753 . . . . . . . . 1 1 . 1 . 010 ecloud build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.31 -61.66 4.1 Favored Glycine 0 N--CA 1.479 1.54 0 CA-C-N 120.929 1.695 . . . . 0.0 110.012 -170.816 . . . . . . . . 1 1 . 1 . 010 ecloud build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -69.61 -55.01 11.27 Favored 'General case' 0 CA--C 1.594 2.658 0 CA-C-N 121.485 2.642 . . . . 0.0 112.162 -175.284 . . . . . . . . 1 1 . 1 . 010 ecloud build full ' A' A ' 12' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 8' ' ' PHE . 88.9 mt -63.72 -38.93 92.97 Favored 'General case' 0 C--O 1.275 2.433 0 O-C-N 117.527 -3.233 . . . . 0.0 119.318 -177.358 . . . . . . . . 2 2 . 1 . 010 ecloud build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.53 -49.1 0.53 Allowed Glycine 1 C--N 1.413 4.84 0 CA-C-O 115.136 -3.035 . . . . 0.0 112.279 -170.423 . . . . . . . . 2 2 . 1 . 010 ecloud build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.3 -52.19 24.72 Favored 'General case' 0 N--CA 1.42 -1.946 1 CA-C-N 125.025 4.412 . . . . 0.0 112.937 179.321 . . . . . . . . 2 2 . 1 . 010 ecloud build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.33 -57.25 3.8 Favored 'General case' 0 C--O 1.191 -2.001 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -177.984 . . . . . . . . 1 1 . 1 . 010 ecloud build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 131.88 38.42 0.26 Allowed Glycine 1 CA--C 1.449 -4.034 0 O-C-N 126.043 2.089 . . . . 0.0 113.799 148.837 . . . . . . . . 2 2 . 1 . 010 ecloud build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.0 m -79.88 161.77 25.39 Favored 'General case' 0 C--N 1.374 1.674 0 O-C-N 118.647 -2.678 . . . . 0.0 113.642 -178.256 . . . . . . . . 1 1 . 1 . 010 ecloud build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.1 m -96.54 116.73 29.57 Favored 'General case' 0 CA--C 1.492 -1.27 0 CA-C-O 126.357 2.98 . . . . 0.0 109.284 -168.274 . . . . . . . . 1 1 . 1 . 010 ecloud build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 45.7 ttp -78.01 -54.94 5.72 Favored 'General case' 0 CA--C 1.452 -2.812 0 O-C-N 117.454 -3.279 . . . . 0.0 105.061 170.334 . . . . . . . . 1 1 . 1 . 010 ecloud build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -179.42 173.36 45.3 Favored Glycine 0 CA--C 1.48 -2.136 0 O-C-N 117.853 -3.029 . . . . 0.0 105.627 170.535 . . . . . . . . 1 1 . 1 . 010 ecloud build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.57 172.14 6.95 Favored 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 162.973 . . . . . . . . 1 1 . 1 . 010 ecloud build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -93.28 -70.37 0.7 Allowed 'General case' 0 N--CA 1.435 -1.184 0 C-N-CA 126.615 1.966 . . . . 0.0 106.57 -178.089 . . . . . . . . 1 1 . 1 . 010 ecloud build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.2 p -83.48 -47.65 11.13 Favored 'General case' 0 CA--C 1.599 2.847 0 N-CA-C 116.493 2.034 . . . . 0.0 116.493 171.786 . . . . . . . . 1 1 . 1 . 010 ecloud build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.366 1.289 0 O-C-N 121.351 -0.843 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 ecloud build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.0 0 N-CA-C 117.78 2.511 . . . . 0.0 117.78 . . . . . . . . . 0 0 . 1 . 011 ecloud build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.1 m -85.84 169.31 1.48 Allowed 'Isoleucine or valine' 0 C--O 1.261 1.697 0 CA-C-N 124.407 3.276 . . . . 0.0 110.999 162.331 . . . . . . . . 1 1 . 1 . 011 ecloud build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -79.78 85.13 1.28 Allowed Glycine 0 CA--C 1.465 -3.042 0 O-C-N 118.615 -2.553 . . . . 0.0 112.757 174.38 . . . . . . . . 1 1 . 1 . 011 ecloud build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 6.8 mm -84.87 -52.33 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.375 0 C-N-CA 128.787 2.835 . . . . 0.0 112.353 -174.641 . . . . . . . . 1 1 . 1 . 011 ecloud build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -65.34 -39.15 95.71 Favored Glycine 0 C--N 1.382 3.115 1 CA-C-O 127.86 4.033 . . . . 0.0 111.508 175.102 . . . . . . . . 2 2 . 1 . 011 ecloud build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.14 -41.9 93.68 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 131.323 3.849 . . . . 0.0 107.339 176.767 . . . . . . . . 1 1 . 1 . 011 ecloud build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 25.9 tp -63.86 -82.49 0.02 OUTLIER 'General case' 0 C--O 1.2 -1.504 0 O-C-N 118.556 -2.59 . . . . 0.0 114.441 167.682 . . . . . . . . 1 1 . 1 . 011 ecloud build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -56.75 -52.22 65.82 Favored 'General case' 0 CA--C 1.499 -0.99 1 O-C-N 115.409 -4.557 . . . . 0.0 115.147 -173.997 . . . . . . . . 2 2 . 1 . 011 ecloud build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.3 mt -85.26 -34.32 21.98 Favored 'General case' 0 C--O 1.21 -1.026 0 CA-C-O 117.144 -1.408 . . . . 0.0 108.211 -169.468 . . . . . . . . 1 1 . 1 . 011 ecloud build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -83.51 -66.33 1.52 Allowed Glycine 1 N--CA 1.393 -4.191 0 CA-C-O 125.814 2.897 . . . . 0.0 115.132 178.812 . . . . . . . . 2 2 . 1 . 011 ecloud build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -71.84 -51.5 22.13 Favored 'General case' 0 N--CA 1.408 -2.554 0 O-C-N 118.277 -2.896 . . . . 0.0 112.272 -178.296 . . . . . . . . 1 1 . 1 . 011 ecloud build full ' A' A ' 12' ' ' LEU . . . . . 0.416 HD22 ' HB2' ' A' ' 19' ' ' MET . 56.3 mt -88.2 -18.75 28.01 Favored 'General case' 0 C--O 1.201 -1.449 0 O-C-N 117.915 -2.991 . . . . 0.0 118.238 -173.656 . . . . . . . . 2 2 . 1 . 011 ecloud build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -109.92 -54.26 0.56 Allowed Glycine 0 C--N 1.369 2.41 0 O-C-N 119.571 -1.956 . . . . 0.0 110.209 -175.291 . . . . . . . . 1 1 . 1 . 011 ecloud build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.37 -72.21 0.06 Allowed 'General case' 0 C--N 1.366 1.301 0 O-C-N 118.743 -2.622 . . . . 0.0 117.811 172.14 . . . . . . . . 1 1 . 1 . 011 ecloud build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.41 -56.08 11.11 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-N 112.771 -2.013 . . . . 0.0 105.954 -176.564 . . . . . . . . 1 1 . 1 . 011 ecloud build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 103.13 73.17 0.95 Allowed Glycine 0 N--CA 1.405 -3.374 0 O-C-N 118.82 -2.425 . . . . 0.0 112.746 175.609 . . . . . . . . 1 1 . 1 . 011 ecloud build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.56 154.14 20.29 Favored 'General case' 0 CA--C 1.457 -2.61 0 CA-C-O 125.168 2.413 . . . . 0.0 107.511 -177.669 . . . . . . . . 2 2 . 1 . 011 ecloud build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.8 m -70.83 109.53 5.05 Favored 'General case' 0 C--N 1.365 1.245 0 N-CA-C 117.669 2.47 . . . . 0.0 117.669 -165.594 . . . . . . . . 1 1 . 1 . 011 ecloud build full ' A' A ' 19' ' ' MET . . . . . 0.416 ' HB2' HD22 ' A' ' 12' ' ' LEU . 25.0 ttt -86.14 -57.42 3.03 Favored 'General case' 0 N--CA 1.421 -1.918 0 CA-C-O 124.046 1.879 . . . . 0.0 114.358 -179.051 . . . . . . . . 2 2 . 1 . 011 ecloud build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 167.03 170.07 31.43 Favored Glycine 0 CA--C 1.486 -1.768 0 CA-C-N 113.904 -1.498 . . . . 0.0 109.919 -154.211 . . . . . . . . 1 1 . 1 . 011 ecloud build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.06 174.08 9.16 Favored 'General case' 0 N--CA 1.403 -2.782 0 CA-C-O 124.68 2.181 . . . . 0.0 110.704 179.818 . . . . . . . . 1 1 . 1 . 011 ecloud build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 38.1 mtp180 -100.09 -69.05 0.78 Allowed 'General case' 0 C--O 1.265 1.878 1 O-C-N 114.478 -5.139 . . . . 0.0 105.64 179.828 . . . . . . . . 2 2 . 1 . 011 ecloud build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 83.8 p -71.51 -34.69 70.33 Favored 'General case' 0 C--N 1.365 1.265 0 O-C-N 117.983 -2.948 . . . . 0.0 117.798 -178.889 . . . . . . . . 1 1 . 1 . 011 ecloud build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.687 0 CA-C-N 112.346 -2.206 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 ecloud build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.521 3.08 0 CA-C-O 124.188 1.947 . . . . 0.0 109.841 . . . . . . . . . 0 0 . 1 . 012 ecloud build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.8 m -89.43 -176.64 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.893 0 C-N-CA 130.305 3.442 . . . . 0.0 116.393 -177.231 . . . . . . . . 1 1 . 1 . 012 ecloud build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -93.95 72.45 1.2 Allowed Glycine 0 N--CA 1.508 3.483 0 C-N-CA 116.702 -2.666 . . . . 0.0 116.521 -167.935 . . . . . . . . 1 1 . 1 . 012 ecloud build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 25.1 mm -70.81 -64.31 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.425 -1.709 1 C-N-CA 132.373 4.269 . . . . 0.0 114.256 -172.34 . . . . . . . . 2 2 . 1 . 012 ecloud build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -57.21 -38.78 88.09 Favored Glycine 0 C--N 1.398 3.976 0 CA-C-O 126.08 3.045 . . . . 0.0 110.365 179.565 . . . . . . . . 1 1 . 1 . 012 ecloud build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.18 -33.39 73.31 Favored 'General case' 0 N--CA 1.42 -1.944 0 C-N-CA 126.157 1.783 . . . . 0.0 114.848 178.341 . . . . . . . . 1 1 . 1 . 012 ecloud build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.8 tp -71.1 -59.63 2.67 Favored 'General case' 0 N--CA 1.407 -2.597 0 O-C-N 119.289 -2.132 . . . . 0.0 114.442 165.481 . . . . . . . . 1 1 . 1 . 012 ecloud build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -72.17 -60.63 2.14 Favored 'General case' 0 C--O 1.257 1.489 0 O-C-N 119.203 -2.185 . . . . 0.0 110.471 -172.341 . . . . . . . . 1 1 . 1 . 012 ecloud build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.5 mt -70.95 -67.31 0.52 Allowed 'General case' 0 C--O 1.179 -2.623 0 O-C-N 119.001 -2.312 . . . . 0.0 111.464 -177.232 . . . . . . . . 1 1 . 1 . 012 ecloud build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.85 -70.09 0.8 Allowed Glycine 0 C--O 1.277 2.806 0 C-N-CA 127.755 2.597 . . . . 0.0 114.111 -179.692 . . . . . . . . 1 1 . 1 . 012 ecloud build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -75.71 -53.28 8.79 Favored 'General case' 0 C--N 1.382 2.021 1 O-C-N 113.318 -5.813 . . . . 0.0 109.81 -169.949 . . . . . . . . 2 2 . 1 . 012 ecloud build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.3 mt -84.27 -28.07 27.44 Favored 'General case' 0 C--O 1.274 2.35 0 O-C-N 116.868 -3.645 . . . . 0.0 112.617 -166.795 . . . . . . . . 1 1 . 1 . 012 ecloud build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.61 -56.71 1.31 Allowed Glycine 0 C--N 1.349 1.28 0 C-N-CA 127.184 2.326 . . . . 0.0 116.694 -175.924 . . . . . . . . 1 1 . 1 . 012 ecloud build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.38 -54.42 3.81 Favored 'General case' 0 N--CA 1.383 -3.797 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 -165.812 . . . . . . . . 1 1 . 1 . 012 ecloud build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . 0.349 . . -65.27 -71.38 0.19 Allowed 'General case' 0 CA--C 1.559 1.325 0 C-N-CA 118.706 -1.198 . . . . 0.0 110.421 174.273 . . . . . . . . 2 2 . 1 . 012 ecloud build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 137.32 26.7 0.37 Allowed Glycine 1 C--N 1.402 4.203 0 N-CA-C 120.422 2.929 . . . . 0.0 120.422 176.106 . . . . . . . . 2 2 . 1 . 012 ecloud build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.8 m -62.86 162.69 10.68 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-O 117.379 -1.296 . . . . 0.0 114.25 173.594 . . . . . . . . 1 1 . 1 . 012 ecloud build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.9 m -88.78 128.67 35.64 Favored 'General case' 0 C--N 1.4 2.798 0 CA-C-O 117.556 -1.211 . . . . 0.0 112.228 179.482 . . . . . . . . 1 1 . 1 . 012 ecloud build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 24.2 ttt -83.3 -74.98 0.34 Allowed 'General case' 0 C--N 1.274 -2.711 1 O-C-N 129.485 4.241 . . . . 0.0 111.039 171.165 . . . . . . . . 2 2 . 1 . 012 ecloud build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 170.84 161.85 22.18 Favored Glycine 0 N--CA 1.509 3.549 0 O-C-N 119.177 -2.202 . . . . 0.0 113.002 -174.332 . . . . . . . . 1 1 . 1 . 012 ecloud build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.64 145.86 30.37 Favored 'General case' 0 N--CA 1.427 -1.601 0 O-C-N 125.121 1.13 . . . . 0.0 112.743 -166.717 . . . . . . . . 1 1 . 1 . 012 ecloud build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 43.4 mtp180 -87.89 -51.85 5.61 Favored 'General case' 0 C--N 1.381 1.938 0 CA-C-O 123.738 1.732 . . . . 0.0 107.545 167.116 . . . . . . . . 1 1 . 1 . 012 ecloud build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . 0.368 17.5 p -114.21 -43.18 3.24 Favored 'General case' 0 N--CA 1.518 2.935 0 O-C-N 117.504 -3.248 . . . . 0.0 114.497 161.102 . . . . . . . . 2 2 . 1 . 012 ecloud build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.656 0 O-C-N 121.128 -0.983 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 ecloud build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.569 1.689 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 . . . . . . . . . 0 0 . 1 . 013 ecloud build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -112.78 174.88 2.23 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.736 0 CA-C-O 115.744 -2.074 . . . . 0.0 110.153 -178.77 . . . . . . . . 2 2 . 1 . 013 ecloud build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -85.98 79.5 1.86 Allowed Glycine 0 CA--C 1.547 2.09 2 C-N-CA 112.441 -4.695 . . . . 0.0 115.198 -175.606 . . . . . . . . 2 2 . 1 . 013 ecloud build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.1 mm -73.9 -64.92 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.478 -1.791 0 C-N-CA 126.584 1.954 . . . . 0.0 107.611 179.241 . . . . . . . . 1 1 . 1 . 013 ecloud build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.38 -39.64 73.59 Favored Glycine 0 CA--C 1.471 -2.69 0 C-N-CA 126.808 2.146 . . . . 0.0 114.312 179.485 . . . . . . . . 1 1 . 1 . 013 ecloud build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.6 -37.91 68.73 Favored 'General case' 0 C--O 1.26 1.655 0 CA-C-O 124.51 2.1 . . . . 0.0 116.372 168.045 . . . . . . . . 1 1 . 1 . 013 ecloud build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.9 tp -82.74 -59.15 2.6 Favored 'General case' 0 C--N 1.392 2.435 0 O-C-N 117.089 -3.507 . . . . 0.0 110.318 179.899 . . . . . . . . 1 1 . 1 . 013 ecloud build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.293 11.0 m-85 -76.06 -36.9 58.83 Favored 'General case' 0 CA--C 1.603 3.009 0 O-C-N 117.407 -3.308 . . . . 0.0 112.552 -170.168 . . . . . . . . 2 2 . 1 . 013 ecloud build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.9 mt -96.52 -48.61 5.47 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-O 117.323 -1.322 . . . . 0.0 108.894 -179.425 . . . . . . . . 1 1 . 1 . 013 ecloud build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.11 -60.76 2.21 Favored Glycine 0 N--CA 1.423 -2.221 0 CA-C-N 123.131 2.696 . . . . 0.0 117.873 -170.815 . . . . . . . . 1 1 . 1 . 013 ecloud build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . 0.305 55.4 t80 -56.85 -60.42 3.59 Favored 'General case' 0 N--CA 1.521 3.085 0 CA-C-N 111.754 -2.223 . . . . 0.0 114.678 176.693 . . . . . . . . 2 2 . 1 . 013 ecloud build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 35.8 mt -79.79 -34.57 39.56 Favored 'General case' 0 CA--C 1.575 1.916 0 C-N-CA 124.695 1.198 . . . . 0.0 112.452 -178.344 . . . . . . . . 1 1 . 1 . 013 ecloud build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.08 -73.07 1.28 Allowed Glycine 0 C--O 1.27 2.348 0 CA-C-O 119.289 -0.728 . . . . 0.0 112.733 -177.274 . . . . . . . . 1 1 . 1 . 013 ecloud build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.66 -62.27 1.45 Allowed 'General case' 0 N--CA 1.419 -2.023 0 C-N-CA 128.352 2.661 . . . . 0.0 111.277 -167.937 . . . . . . . . 1 1 . 1 . 013 ecloud build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.43 -20.93 63.78 Favored 'General case' 0 C--O 1.212 -0.9 0 CA-C-O 115.396 -2.24 . . . . 0.0 113.841 -179.572 . . . . . . . . 1 1 . 1 . 013 ecloud build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.82 34.24 13.75 Favored Glycine 0 CA--C 1.461 -3.299 0 CA-C-N 120.513 1.506 . . . . 0.0 115.361 167.777 . . . . . . . . 1 1 . 1 . 013 ecloud build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.8 m -59.54 132.41 53.89 Favored 'General case' 0 CA--C 1.468 -2.192 0 O-C-N 118.993 -2.474 . . . . 0.0 108.883 167.11 . . . . . . . . 1 1 . 1 . 013 ecloud build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 89.1 m -73.88 110.72 8.39 Favored 'General case' 0 CA--C 1.494 -1.209 0 CA-C-N 113.369 -1.742 . . . . 0.0 110.98 -179.02 . . . . . . . . 1 1 . 1 . 013 ecloud build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 10.9 ttt -75.01 -59.24 2.82 Favored 'General case' 0 C--O 1.267 1.977 1 O-C-N 115.744 -4.347 . . . . 0.0 115.583 -175.367 . . . . . . . . 2 2 . 1 . 013 ecloud build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -170.48 -179.56 41.96 Favored Glycine 0 N--CA 1.488 2.105 0 C-N-CA 117.966 -2.064 . . . . 0.0 108.054 -174.938 . . . . . . . . 1 1 . 1 . 013 ecloud build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.19 133.28 55.71 Favored 'General case' 0 N--CA 1.439 -1.016 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 167.211 . . . . . . . . 1 1 . 1 . 013 ecloud build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 -66.75 -62.04 1.65 Allowed 'General case' 0 CA--C 1.444 -3.127 0 C-N-CA 127.882 2.473 . . . . 0.0 110.724 166.405 . . . . . . . . 1 1 . 1 . 013 ecloud build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . 0.386 25.1 p -80.79 -52.65 7.26 Favored 'General case' 0 C--N 1.268 -2.966 0 CA-C-O 122.456 1.122 . . . . 0.0 111.806 179.751 . . . . . . . . 2 2 . 1 . 013 ecloud build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.38 1.907 0 O-C-N 117.683 -3.136 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 ecloud build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.53 3.55 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 . . . . . . . . . 0 0 . 1 . 014 ecloud build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.0 m -102.38 169.2 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.378 1.816 0 CA-C-N 122.723 2.511 . . . . 0.0 112.916 171.177 . . . . . . . . 1 1 . 1 . 014 ecloud build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -100.0 84.23 0.59 Allowed Glycine 0 N--CA 1.407 -3.254 0 CA-C-O 117.426 -1.763 . . . . 0.0 112.119 -157.939 . . . . . . . . 1 1 . 1 . 014 ecloud build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.8 mm -69.16 -40.94 81.13 Favored 'Isoleucine or valine' 0 C--N 1.38 1.906 0 O-C-N 129.826 3.898 . . . . 0.0 119.75 165.662 . . . . . . . . 1 1 . 1 . 014 ecloud build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.83 -54.26 5.45 Favored Glycine 0 N--CA 1.502 3.09 0 C-N-CA 129.605 3.478 . . . . 0.0 108.744 -173.427 . . . . . . . . 1 1 . 1 . 014 ecloud build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.48 -37.3 72.69 Favored 'General case' 0 CA--C 1.463 -2.396 0 N-CA-C 115.254 1.576 . . . . 0.0 115.254 -175.431 . . . . . . . . 1 1 . 1 . 014 ecloud build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 21.7 tp -78.0 -52.46 8.76 Favored 'General case' 0 C--N 1.399 2.76 0 C-N-CA 126.905 2.082 . . . . 0.0 109.144 -175.894 . . . . . . . . 1 1 . 1 . 014 ecloud build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -86.6 -31.96 20.88 Favored 'General case' 0 N--CA 1.433 -1.297 0 CA-C-O 115.933 -1.984 . . . . 0.0 114.9 -176.448 . . . . . . . . 1 1 . 1 . 014 ecloud build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 67.7 mt -82.89 -49.46 9.63 Favored 'General case' 1 C--N 1.446 4.768 1 CA-C-N 126.954 4.434 . . . . 0.0 105.742 -177.455 . . . . . . . . 3 2 . 1 . 014 ecloud build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -90.37 -55.41 1.95 Allowed Glycine 0 C--N 1.364 2.127 0 C-N-CA 125.237 1.399 . . . . 0.0 112.105 -162.675 . . . . . . . . 1 1 . 1 . 014 ecloud build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -80.4 -59.49 2.68 Favored 'General case' 0 CA--C 1.586 2.36 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.597 -172.553 . . . . . . . . 1 1 . 1 . 014 ecloud build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.0 mt -69.86 -50.35 43.49 Favored 'General case' 0 CA--C 1.575 1.942 0 CA-C-O 122.996 1.379 . . . . 0.0 110.083 172.717 . . . . . . . . 1 1 . 1 . 014 ecloud build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.04 -57.46 4.8 Favored Glycine 0 CA--C 1.576 3.847 1 O-C-N 115.089 -4.757 . . . . 0.0 112.508 -168.032 . . . . . . . . 2 2 . 1 . 014 ecloud build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.32 -51.56 6.49 Favored 'General case' 0 N--CA 1.414 -2.233 0 N-CA-C 116.029 1.862 . . . . 0.0 116.029 -176.164 . . . . . . . . 1 1 . 1 . 014 ecloud build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . 0.384 . . -58.46 -40.01 81.48 Favored 'General case' 0 N--CA 1.428 -1.556 0 N-CA-C 117.352 2.353 . . . . 0.0 117.352 170.238 . . . . . . . . 2 2 . 1 . 014 ecloud build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.14 53.63 2.78 Favored Glycine 1 CA--C 1.45 -4.008 0 O-C-N 118.873 -2.392 . . . . 0.0 116.466 170.052 . . . . . . . . 2 2 . 1 . 014 ecloud build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.1 m -99.27 147.9 24.7 Favored 'General case' 0 CA--C 1.578 2.041 0 CA-C-O 124.881 2.277 . . . . 0.0 108.316 166.389 . . . . . . . . 1 1 . 1 . 014 ecloud build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 88.3 m -63.68 121.08 13.07 Favored 'General case' 0 CA--C 1.583 2.23 0 O-C-N 119.314 -2.116 . . . . 0.0 113.547 -178.447 . . . . . . . . 1 1 . 1 . 014 ecloud build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 7.0 ttp -91.76 -38.17 12.54 Favored 'General case' 0 CA--C 1.496 -1.102 0 CA-C-N 112.382 -2.19 . . . . 0.0 115.338 -176.506 . . . . . . . . 1 1 . 1 . 014 ecloud build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 172.59 -178.58 44.6 Favored Glycine 0 C--N 1.398 3.987 1 N-CA-C 97.115 -6.394 . . . . 0.0 97.115 170.153 . . . . . . . . 2 2 . 1 . 014 ecloud build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -145.92 137.81 25.16 Favored 'General case' 0 CA--C 1.501 -0.909 0 C-N-CA 126.131 1.773 . . . . 0.0 109.771 -177.844 . . . . . . . . 1 1 . 1 . 014 ecloud build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 22.0 mtp180 -73.56 -34.12 65.0 Favored 'General case' 0 N--CA 1.401 -2.896 0 O-C-N 126.582 2.427 . . . . 0.0 114.765 -169.239 . . . . . . . . 1 1 . 1 . 014 ecloud build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . 0.299 25.9 p -112.27 -47.96 3.06 Favored 'General case' 0 CA--C 1.583 2.216 0 N-CA-C 116.627 2.084 . . . . 0.0 116.627 178.85 . . . . . . . . 2 2 . 1 . 014 ecloud build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 0.889 0 O-C-N 118.319 -2.738 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 ecloud build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.532 3.671 0 CA-C-O 117.935 -1.031 . . . . 0.0 109.94 . . . . . . . . . 0 0 . 1 . 015 ecloud build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 16.8 m -74.54 -178.7 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.371 1.506 0 CA-C-N 120.327 1.421 . . . . 0.0 112.28 161.849 . . . . . . . . 1 1 . 1 . 015 ecloud build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -105.33 67.87 0.26 Allowed Glycine 0 CA--C 1.461 -3.341 0 N-CA-C 118.718 2.247 . . . . 0.0 118.718 -166.778 . . . . . . . . 1 1 . 1 . 015 ecloud build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 38.4 mm -65.17 -50.84 71.84 Favored 'Isoleucine or valine' 0 N--CA 1.387 -3.614 0 CA-C-O 123.585 1.66 . . . . 0.0 114.512 -168.465 . . . . . . . . 1 1 . 1 . 015 ecloud build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -67.94 -42.87 84.63 Favored Glycine 1 N--CA 1.379 -5.107 0 CA-C-N 111.307 -2.679 . . . . 0.0 117.085 170.027 . . . . . . . . 2 2 . 1 . 015 ecloud build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . 0.256 . . -42.26 -45.5 4.19 Favored 'General case' 0 C--N 1.391 2.395 0 N-CA-C 116.688 2.107 . . . . 0.0 116.688 165.122 . . . . . . . . 2 2 . 1 . 015 ecloud build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 45.8 tp -73.01 -61.46 1.8 Allowed 'General case' 0 CA--C 1.476 -1.898 0 C-N-CA 126.993 2.117 . . . . 0.0 110.356 -179.968 . . . . . . . . 1 1 . 1 . 015 ecloud build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -72.19 -41.22 67.22 Favored 'General case' 0 N--CA 1.397 -3.112 0 N-CA-C 119.6 3.185 . . . . 0.0 119.6 -174.915 . . . . . . . . 1 1 . 1 . 015 ecloud build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 55.6 mt -83.91 -43.73 14.98 Favored 'General case' 0 C--N 1.374 1.665 0 O-C-N 117.859 -3.026 . . . . 0.0 112.988 177.42 . . . . . . . . 1 1 . 1 . 015 ecloud build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -80.08 -47.98 6.75 Favored Glycine 0 C--N 1.352 1.428 0 C-N-CA 126.684 2.088 . . . . 0.0 117.349 -173.719 . . . . . . . . 1 1 . 1 . 015 ecloud build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -86.05 -43.14 13.35 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.645 1.722 . . . . 0.0 109.622 -176.188 . . . . . . . . 1 1 . 1 . 015 ecloud build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.4 mt -91.27 -43.45 9.8 Favored 'General case' 0 N--CA 1.428 -1.574 0 CA-C-O 123.771 1.748 . . . . 0.0 110.251 -170.84 . . . . . . . . 1 1 . 1 . 015 ecloud build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.49 -81.18 0.58 Allowed Glycine 0 CA--C 1.563 3.085 0 O-C-N 118.994 -2.316 . . . . 0.0 116.982 176.013 . . . . . . . . 1 1 . 1 . 015 ecloud build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.02 -57.99 6.43 Favored 'General case' 0 C--N 1.399 2.733 0 C-N-CA 129.554 3.142 . . . . 0.0 114.064 173.633 . . . . . . . . 1 1 . 1 . 015 ecloud build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . 0.335 . . -76.75 -41.82 43.39 Favored 'General case' 0 CA--C 1.577 1.991 0 N-CA-C 116.044 1.868 . . . . 0.0 116.044 -177.361 . . . . . . . . 2 2 . 1 . 015 ecloud build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.76 36.06 4.66 Favored Glycine 0 CA--C 1.458 -3.523 0 CA-C-N 120.321 1.419 . . . . 0.0 114.416 164.913 . . . . . . . . 1 1 . 1 . 015 ecloud build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.9 t -83.74 172.53 12.14 Favored 'General case' 0 CA--C 1.481 -1.709 0 CA-C-N 118.781 1.291 . . . . 0.0 114.289 -175.525 . . . . . . . . 1 1 . 1 . 015 ecloud build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.6 m -67.78 129.05 38.71 Favored 'General case' 0 C--O 1.271 2.201 0 O-C-N 119.627 -1.921 . . . . 0.0 111.346 -177.295 . . . . . . . . 1 1 . 1 . 015 ecloud build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 7.2 ttt -98.21 -84.46 0.39 Allowed 'General case' 0 C--N 1.388 2.278 0 CA-C-O 124.311 2.005 . . . . 0.0 108.932 176.438 . . . . . . . . 1 1 . 1 . 015 ecloud build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -160.1 172.12 36.52 Favored Glycine 0 N--CA 1.421 -2.36 0 O-C-N 119.045 -2.285 . . . . 0.0 108.087 176.523 . . . . . . . . 1 1 . 1 . 015 ecloud build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.9 110.6 21.96 Favored 'General case' 0 C--O 1.26 1.625 0 CA-C-O 123.966 1.841 . . . . 0.0 112.8 -178.66 . . . . . . . . 1 1 . 1 . 015 ecloud build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 67.9 mtp180 -86.49 -49.16 7.79 Favored 'General case' 0 C--N 1.386 2.158 0 CA-C-O 115.061 -2.399 . . . . 0.0 112.995 163.115 . . . . . . . . 1 1 . 1 . 015 ecloud build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.6 p -81.48 -35.46 30.47 Favored 'General case' 0 N--CA 1.52 3.056 0 CA-C-O 113.402 -3.19 . . . . 0.0 111.095 -175.12 . . . . . . . . 1 1 . 1 . 015 ecloud build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.052 0 CA-C-N 124.931 3.514 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 ecloud build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.179 -2.619 1 N-CA-C 122.628 4.307 . . . . 0.0 122.628 . . . . . . . . . 1 1 . 1 . 016 ecloud build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.4 m -82.2 165.41 2.59 Favored 'Isoleucine or valine' 0 C--N 1.399 2.728 0 O-C-N 117.441 -3.287 . . . . 0.0 112.408 179.641 . . . . . . . . 1 1 . 1 . 016 ecloud build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -82.47 66.47 3.9 Favored Glycine 0 N--CA 1.492 2.407 0 O-C-N 117.43 -3.294 . . . . 0.0 115.335 -164.484 . . . . . . . . 1 1 . 1 . 016 ecloud build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.7 mm -59.76 -53.47 48.02 Favored 'Isoleucine or valine' 0 C--O 1.269 2.119 0 CA-C-N 113.309 -1.446 . . . . 0.0 112.937 174.616 . . . . . . . . 1 1 . 1 . 016 ecloud build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.72 -53.71 39.87 Favored Glycine 0 CA--C 1.543 1.83 0 O-C-N 118.318 -2.739 . . . . 0.0 114.521 168.64 . . . . . . . . 1 1 . 1 . 016 ecloud build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . 0.259 . . -35.06 -63.45 0.33 Allowed 'General case' 0 N--CA 1.512 2.626 0 C-N-CA 125.605 1.562 . . . . 0.0 115.161 166.053 . . . . . . . . 2 2 . 1 . 016 ecloud build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 17.3 tp -81.16 -51.16 8.75 Favored 'General case' 0 C--N 1.367 1.344 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 -170.214 . . . . . . . . 1 1 . 1 . 016 ecloud build full ' A' A ' 8' ' ' PHE . . . . . 0.406 ' HA ' HD12 ' A' ' 12' ' ' LEU . 97.9 m-85 -83.9 -39.99 19.15 Favored 'General case' 0 C--N 1.385 2.147 0 CA-C-N 122.808 2.549 . . . . 0.0 115.681 -169.201 . . . . . . . . 2 2 . 1 . 016 ecloud build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.5 mt -94.1 -37.69 11.48 Favored 'General case' 0 N--CA 1.519 3.019 0 CA-C-O 124.117 1.913 . . . . 0.0 115.732 177.022 . . . . . . . . 1 1 . 1 . 016 ecloud build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.15 -51.51 4.67 Favored Glycine 0 CA--C 1.495 -1.171 0 O-C-N 117.34 -3.35 . . . . 0.0 112.729 -177.693 . . . . . . . . 1 1 . 1 . 016 ecloud build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -86.55 -62.22 1.56 Allowed 'General case' 0 N--CA 1.437 -1.107 0 O-C-N 116.793 -3.769 . . . . 0.0 111.283 -170.049 . . . . . . . . 1 1 . 1 . 016 ecloud build full ' A' A ' 12' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 8' ' ' PHE . 20.2 mt -64.82 -46.98 79.69 Favored 'General case' 0 N--CA 1.503 2.205 0 C-N-CA 127.577 2.351 . . . . 0.0 116.568 172.828 . . . . . . . . 2 2 . 1 . 016 ecloud build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.83 -79.48 0.32 Allowed Glycine 0 C--O 1.173 -3.67 0 CA-C-O 126.651 3.362 . . . . 0.0 116.848 177.345 . . . . . . . . 1 1 . 1 . 016 ecloud build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.62 -66.11 0.59 Allowed 'General case' 0 CA--C 1.573 1.865 0 O-C-N 117.751 -3.206 . . . . 0.0 114.137 -177.102 . . . . . . . . 1 1 . 1 . 016 ecloud build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.88 -50.77 72.21 Favored 'General case' 0 C--N 1.385 2.127 1 O-C-N 115.967 -4.208 . . . . 0.0 113.237 175.654 . . . . . . . . 2 2 . 1 . 016 ecloud build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 109.04 40.97 1.47 Allowed Glycine 0 CA--C 1.47 -2.738 0 O-C-N 117.794 -3.066 . . . . 0.0 111.352 164.965 . . . . . . . . 1 1 . 1 . 016 ecloud build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.0 t -69.98 158.93 34.71 Favored 'General case' 0 CA--C 1.571 1.777 0 O-C-N 119.635 -2.097 . . . . 0.0 113.352 174.916 . . . . . . . . 1 1 . 1 . 016 ecloud build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.3 m -75.69 116.89 16.87 Favored 'General case' 0 C--O 1.219 -0.529 0 C-N-CA 124.208 1.003 . . . . 0.0 112.547 179.997 . . . . . . . . 1 1 . 1 . 016 ecloud build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 13.7 ttt -84.71 -50.76 7.34 Favored 'General case' 0 C--O 1.26 1.644 0 CA-C-O 123.731 1.729 . . . . 0.0 112.783 165.828 . . . . . . . . 1 1 . 1 . 016 ecloud build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 171.42 -162.67 35.31 Favored Glycine 0 C--N 1.381 3.03 0 C-N-CA 125.719 1.628 . . . . 0.0 111.194 161.723 . . . . . . . . 1 1 . 1 . 016 ecloud build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.82 155.88 28.22 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-O 125.262 2.458 . . . . 0.0 110.779 -173.7 . . . . . . . . 1 1 . 1 . 016 ecloud build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 49.1 mtp180 -84.12 -73.65 0.41 Allowed 'General case' 0 CA--C 1.568 1.648 1 O-C-N 115.765 -4.334 . . . . 0.0 107.317 170.485 . . . . . . . . 2 2 . 1 . 016 ecloud build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . 0.412 74.3 p -104.42 -65.88 1.0 Allowed 'General case' 0 CA--C 1.568 1.646 0 CA-C-O 126.259 2.933 . . . . 0.0 114.739 177.937 . . . . . . . . 2 2 . 1 . 016 ecloud build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.571 0 O-C-N 117.838 -3.039 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 ecloud build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.921 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 017 ecloud build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.6 m -80.31 175.92 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.398 2.687 0 O-C-N 118.996 -2.315 . . . . 0.0 108.159 167.47 . . . . . . . . 1 1 . 1 . 017 ecloud build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -87.78 89.02 1.58 Allowed Glycine 0 N--CA 1.494 2.513 0 O-C-N 118.08 -2.887 . . . . 0.0 112.282 176.25 . . . . . . . . 1 1 . 1 . 017 ecloud build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 39.5 mm -76.75 -42.35 33.64 Favored 'Isoleucine or valine' 0 C--O 1.275 2.439 0 O-C-N 117.801 -3.176 . . . . 0.0 117.112 170.155 . . . . . . . . 1 1 . 1 . 017 ecloud build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -76.79 -30.63 55.77 Favored Glycine 0 CA--C 1.475 -2.442 0 CA-C-O 115.305 -2.942 . . . . 0.0 114.712 173.095 . . . . . . . . 1 1 . 1 . 017 ecloud build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.03 -39.43 92.28 Favored 'General case' 0 C--O 1.208 -1.124 0 CA-C-N 123.006 3.403 . . . . 0.0 112.07 174.022 . . . . . . . . 1 1 . 1 . 017 ecloud build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.4 tp -70.35 -70.7 0.28 Allowed 'General case' 0 C--O 1.188 -2.145 0 O-C-N 125.015 1.447 . . . . 0.0 112.236 175.614 . . . . . . . . 1 1 . 1 . 017 ecloud build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -64.9 -42.24 94.93 Favored 'General case' 0 C--N 1.377 1.785 0 O-C-N 119.433 -2.042 . . . . 0.0 112.247 -166.786 . . . . . . . . 1 1 . 1 . 017 ecloud build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 24.8 mt -98.24 -43.72 6.86 Favored 'General case' 0 N--CA 1.445 -0.694 0 O-C-N 120.66 -1.275 . . . . 0.0 108.814 -164.512 . . . . . . . . 1 1 . 1 . 017 ecloud build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.68 -80.94 0.19 Allowed Glycine 1 N--CA 1.522 4.408 0 C-N-CA 125.418 1.485 . . . . 0.0 112.665 178.611 . . . . . . . . 2 2 . 1 . 017 ecloud build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -73.6 -53.24 10.96 Favored 'General case' 0 CA--C 1.616 3.489 0 C-N-CA 126.387 1.875 . . . . 0.0 109.535 -168.298 . . . . . . . . 1 1 . 1 . 017 ecloud build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 70.6 mt -77.29 -13.17 59.99 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 121.152 1.796 . . . . 0.0 115.759 173.585 . . . . . . . . 1 1 . 1 . 017 ecloud build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -98.89 -82.03 1.64 Allowed Glycine 0 CA--C 1.483 -1.923 0 CA-C-N 120.531 1.514 . . . . 0.0 113.404 176.38 . . . . . . . . 1 1 . 1 . 017 ecloud build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.76 -47.17 61.01 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-O 124.213 1.958 . . . . 0.0 111.913 -161.431 . . . . . . . . 1 1 . 1 . 017 ecloud build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.79 98.87 Favored 'General case' 0 CA--C 1.456 -2.67 0 C-N-CA 128.725 2.81 . . . . 0.0 113.45 168.753 . . . . . . . . 1 1 . 1 . 017 ecloud build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.24 44.62 4.33 Favored Glycine 0 C--N 1.362 1.977 0 CA-C-O 123.866 1.815 . . . . 0.0 111.026 165.225 . . . . . . . . 1 1 . 1 . 017 ecloud build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.4 t -85.51 -179.01 6.83 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 119.377 -2.249 . . . . 0.0 110.105 179.498 . . . . . . . . 1 1 . 1 . 017 ecloud build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.6 m -95.68 120.89 36.73 Favored 'General case' 0 CA--C 1.439 -3.326 0 O-C-N 120.277 -1.514 . . . . 0.0 111.454 -177.723 . . . . . . . . 1 1 . 1 . 017 ecloud build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 17.6 ttt -88.42 -55.78 3.58 Favored 'General case' 0 C--O 1.267 2.012 0 C-N-CA 127.827 2.451 . . . . 0.0 113.948 176.595 . . . . . . . . 1 1 . 1 . 017 ecloud build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 160.18 -164.8 34.55 Favored Glycine 0 CA--C 1.474 -2.49 0 C-N-CA 116.92 -2.562 . . . . 0.0 109.707 -171.149 . . . . . . . . 1 1 . 1 . 017 ecloud build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.11 142.19 51.58 Favored 'General case' 0 C--O 1.191 -2.015 0 O-C-N 124.431 0.724 . . . . 0.0 111.55 -174.104 . . . . . . . . 1 1 . 1 . 017 ecloud build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -81.09 -67.43 0.78 Allowed 'General case' 0 CA--C 1.585 2.29 0 O-C-N 120.013 -1.679 . . . . 0.0 109.948 -173.063 . . . . . . . . 1 1 . 1 . 017 ecloud build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 82.3 p -74.7 -31.26 61.83 Favored 'General case' 0 C--N 1.384 2.094 0 CA-C-O 126.802 3.191 . . . . 0.0 111.709 -173.372 . . . . . . . . 1 1 . 1 . 017 ecloud build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.587 0 O-C-N 119.034 -2.291 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 ecloud build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.371 0 CA-C-O 114.272 -2.775 . . . . 0.0 113.63 . . . . . . . . . 0 0 . 1 . 018 ecloud build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.1 m -104.46 -167.74 0.22 Allowed 'Isoleucine or valine' 0 C--O 1.208 -1.091 0 N-CA-C 105.333 -2.099 . . . . 0.0 105.333 166.949 . . . . . . . . 1 1 . 1 . 018 ecloud build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -86.97 70.9 2.83 Favored Glycine 0 C--N 1.368 2.317 0 CA-C-O 113.986 -3.674 . . . . 0.0 112.901 -171.679 . . . . . . . . 1 1 . 1 . 018 ecloud build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.4 mm -70.79 -54.53 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.193 0 O-C-N 127.663 2.625 . . . . 0.0 107.302 -175.419 . . . . . . . . 1 1 . 1 . 018 ecloud build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -84.19 -24.13 49.1 Favored Glycine 1 C--O 1.165 -4.203 0 O-C-N 120.237 -1.539 . . . . 0.0 110.938 -171.064 . . . . . . . . 2 2 . 1 . 018 ecloud build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.51 -31.54 72.33 Favored 'General case' 1 N--CA 1.366 -4.647 0 O-C-N 119.56 -2.141 . . . . 0.0 114.539 168.1 . . . . . . . . 2 2 . 1 . 018 ecloud build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 19.1 tp -77.53 -74.68 0.24 Allowed 'General case' 0 N--CA 1.487 1.392 0 CA-C-O 125.432 2.539 . . . . 0.0 110.331 169.299 . . . . . . . . 1 1 . 1 . 018 ecloud build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.262 12.0 m-85 -58.06 -39.15 77.76 Favored 'General case' 0 CA--C 1.476 -1.893 0 N-CA-C 119.03 2.974 . . . . 0.0 119.03 -167.064 . . . . . . . . 2 2 . 1 . 018 ecloud build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 43.4 mt -84.72 -65.13 1.04 Allowed 'General case' 0 C--N 1.295 -1.793 0 CA-C-O 124.307 2.003 . . . . 0.0 111.727 172.032 . . . . . . . . 1 1 . 1 . 018 ecloud build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.47 -50.52 49.05 Favored Glycine 0 CA--C 1.464 -3.156 0 CA-C-O 124.929 2.405 . . . . 0.0 114.554 -162.309 . . . . . . . . 1 1 . 1 . 018 ecloud build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -89.23 -60.65 1.89 Allowed 'General case' 0 CA--C 1.503 -0.855 1 O-C-N 116.187 -4.126 . . . . 0.0 111.398 -175.81 . . . . . . . . 2 2 . 1 . 018 ecloud build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . 0.296 55.7 mt -56.61 -54.68 43.23 Favored 'General case' 0 C--O 1.193 -1.909 0 C-N-CA 128.035 2.534 . . . . 0.0 110.018 176.697 . . . . . . . . 2 2 . 1 . 018 ecloud build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.66 -71.7 1.16 Allowed Glycine 1 C--N 1.437 6.17 0 O-C-N 119.702 -1.874 . . . . 0.0 116.595 179.851 . . . . . . . . 2 2 . 1 . 018 ecloud build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . 0.312 . . -77.32 -48.03 18.45 Favored 'General case' 0 N--CA 1.429 -1.507 0 CA-C-N 120.854 2.327 . . . . 0.0 111.92 -160.135 . . . . . . . . 2 2 . 1 . 018 ecloud build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.12 -32.69 72.25 Favored 'General case' 0 N--CA 1.511 2.622 0 C-N-CA 117.785 -1.566 . . . . 0.0 111.876 171.358 . . . . . . . . 1 1 . 1 . 018 ecloud build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.2 32.91 5.9 Favored Glycine 0 CA--C 1.469 -2.796 0 O-C-N 119.573 -1.955 . . . . 0.0 111.539 168.926 . . . . . . . . 1 1 . 1 . 018 ecloud build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.2 t -73.94 138.65 44.37 Favored 'General case' 0 C--N 1.373 1.588 1 O-C-N 116.012 -4.228 . . . . 0.0 111.15 178.837 . . . . . . . . 2 2 . 1 . 018 ecloud build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 55.7 m -85.96 134.43 33.87 Favored 'General case' 0 C--O 1.257 1.449 0 O-C-N 118.846 -2.408 . . . . 0.0 109.719 -177.948 . . . . . . . . 1 1 . 1 . 018 ecloud build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 13.2 ttt -80.12 -61.08 2.09 Favored 'General case' 0 CA--C 1.473 -2.01 1 C-N-CA 132.995 4.518 . . . . 0.0 115.461 177.728 . . . . . . . . 2 2 . 1 . 018 ecloud build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -167.63 -94.38 0.1 OUTLIER Glycine 0 CA--C 1.544 1.863 0 C-N-CA 117.045 -2.503 . . . . 0.0 112.336 156.048 . . . . . . . . 1 1 . 1 . 018 ecloud build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -161.88 139.45 8.72 Favored 'General case' 0 N--CA 1.419 -2.02 0 O-C-N 119.597 -2.12 . . . . 0.0 111.023 175.213 . . . . . . . . 1 1 . 1 . 018 ecloud build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 43.9 mtp180 -79.58 -85.01 0.09 Allowed 'General case' 0 C--O 1.186 -2.267 0 N-CA-C 116.081 1.882 . . . . 0.0 116.081 168.493 . . . . . . . . 1 1 . 1 . 018 ecloud build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.9 p -86.34 -46.38 10.34 Favored 'General case' 0 CA--C 1.579 2.081 0 O-C-N 119.599 -1.938 . . . . 0.0 107.043 176.512 . . . . . . . . 1 1 . 1 . 018 ecloud build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.572 0 O-C-N 119.446 -2.034 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 ecloud build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.528 3.427 0 N-CA-C 117.822 2.527 . . . . 0.0 117.822 . . . . . . . . . 0 0 . 1 . 019 ecloud build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.5 m -76.01 176.54 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.577 2.015 0 O-C-N 116.867 -3.646 . . . . 0.0 110.486 167.471 . . . . . . . . 1 1 . 1 . 019 ecloud build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.68 67.44 3.16 Favored Glycine 0 C--O 1.294 3.844 0 C-N-CA 125.59 1.566 . . . . 0.0 113.114 -171.462 . . . . . . . . 1 1 . 1 . 019 ecloud build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.8 mm -67.8 -59.25 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 N-CA-C 118.35 2.722 . . . . 0.0 118.35 179.778 . . . . . . . . 1 1 . 1 . 019 ecloud build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -67.15 -33.01 81.82 Favored Glycine 0 N--CA 1.413 -2.862 0 CA-C-N 109.967 -3.288 . . . . 0.0 112.046 175.556 . . . . . . . . 1 1 . 1 . 019 ecloud build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.01 -38.36 75.93 Favored 'General case' 0 N--CA 1.41 -2.433 0 C-N-CA 127.124 2.17 . . . . 0.0 106.031 -175.613 . . . . . . . . 1 1 . 1 . 019 ecloud build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.276 6.9 tp -67.67 -63.32 1.08 Allowed 'General case' 0 C--O 1.198 -1.638 0 O-C-N 117.385 -3.322 . . . . 0.0 111.358 173.201 . . . . . . . . 2 2 . 1 . 019 ecloud build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -66.78 -64.38 0.87 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.38 1.872 . . . . 0.0 113.528 -170.188 . . . . . . . . 1 1 . 1 . 019 ecloud build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 24.4 mt -75.8 -33.77 60.15 Favored 'General case' 0 C--O 1.243 0.731 0 C-N-CA 123.869 0.868 . . . . 0.0 110.665 -172.637 . . . . . . . . 1 1 . 1 . 019 ecloud build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.03 -58.64 1.09 Allowed Glycine 0 C--O 1.191 -2.561 0 N-CA-C 116.808 1.483 . . . . 0.0 116.808 -165.967 . . . . . . . . 1 1 . 1 . 019 ecloud build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -75.97 -51.77 11.69 Favored 'General case' 0 CA--C 1.491 -1.292 0 C-N-CA 125.024 1.33 . . . . 0.0 113.327 179.681 . . . . . . . . 1 1 . 1 . 019 ecloud build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 50.0 mt -77.18 -59.65 2.69 Favored 'General case' 0 C--N 1.385 2.138 0 C-N-CA 126.859 2.063 . . . . 0.0 108.577 -179.116 . . . . . . . . 1 1 . 1 . 019 ecloud build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.38 -83.52 0.05 OUTLIER Glycine 0 N--CA 1.51 3.582 0 CA-C-O 115.68 -2.733 . . . . 0.0 117.955 173.621 . . . . . . . . 1 1 . 1 . 019 ecloud build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.54 -54.41 28.44 Favored 'General case' 0 C--N 1.293 -1.886 0 CA-C-O 112.119 -3.8 . . . . 0.0 113.092 -173.55 . . . . . . . . 1 1 . 1 . 019 ecloud build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.57 -83.69 0.01 OUTLIER 'General case' 0 C--O 1.21 -1.021 0 CA-C-N 122.896 2.589 . . . . 0.0 111.296 178.118 . . . . . . . . 1 1 . 1 . 019 ecloud build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 138.77 39.93 0.1 Allowed Glycine 0 N--CA 1.417 -2.606 0 C-N-CA 117.576 -2.25 . . . . 0.0 110.255 159.683 . . . . . . . . 1 1 . 1 . 019 ecloud build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.3 t -57.47 179.36 0.06 Allowed 'General case' 0 CA--C 1.491 -1.3 0 C-N-CA 131.612 3.965 . . . . 0.0 113.491 169.098 . . . . . . . . 1 1 . 1 . 019 ecloud build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 92.9 m -116.87 123.53 47.26 Favored 'General case' 0 N--CA 1.401 -2.912 0 C-N-CA 129.466 3.106 . . . . 0.0 107.745 -164.38 . . . . . . . . 1 1 . 1 . 019 ecloud build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 29.7 ttp -93.93 -52.82 4.25 Favored 'General case' 0 C--O 1.257 1.476 0 CA-C-O 124.181 1.943 . . . . 0.0 113.459 166.507 . . . . . . . . 1 1 . 1 . 019 ecloud build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -160.25 -124.76 0.75 Allowed Glycine 0 CA--C 1.497 -1.058 0 N-CA-C 103.381 -3.887 . . . . 0.0 103.381 172.111 . . . . . . . . 1 1 . 1 . 019 ecloud build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -155.82 165.45 36.47 Favored 'General case' 1 N--CA 1.376 -4.127 0 O-C-N 119.31 -2.288 . . . . 0.0 110.45 166.199 . . . . . . . . 2 2 . 1 . 019 ecloud build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -100.92 -103.97 0.25 Allowed 'General case' 0 N--CA 1.41 -2.432 0 N-CA-C 105.977 -1.86 . . . . 0.0 105.977 -168.929 . . . . . . . . 1 1 . 1 . 019 ecloud build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.5 p -54.82 -86.2 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 117.823 2.527 . . . . 0.0 117.823 -160.162 . . . . . . . . 1 1 . 1 . 019 ecloud build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.825 0 CA-C-N 122.667 2.485 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 17.8 t . . . . . 0 CA--C 1.466 -2.287 0 CA-C-O 118.218 -0.896 . . . . 0.0 111.961 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.38 82.21 0.01 OUTLIER Glycine 0 C--O 1.259 1.718 0 N-CA-C 122.78 3.872 . . . . 0.0 122.78 -162.737 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.3 mm -71.85 -56.77 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 C-N-CA 130.796 3.638 . . . . 0.0 113.211 173.052 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -62.86 -29.15 73.21 Favored Glycine 1 N--CA 1.532 5.045 0 C-N-CA 125.389 1.471 . . . . 0.0 115.011 167.676 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.89 -44.23 27.74 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 120.754 3.613 . . . . 0.0 120.754 174.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 24.1 tp -66.86 -60.61 2.51 Favored 'General case' 0 C--O 1.197 -1.705 0 CA-C-N 122.641 2.473 . . . . 0.0 117.357 174.879 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -72.34 -64.74 0.89 Allowed 'General case' 0 N--CA 1.506 2.332 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 -178.202 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.9 mt -70.99 -47.08 60.85 Favored 'General case' 0 C--O 1.262 1.74 0 CA-C-O 116.175 -1.869 . . . . 0.0 109.62 -174.995 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -74.29 -70.22 1.28 Allowed Glycine 0 CA--C 1.56 2.877 0 CA-C-O 117.98 -1.456 . . . . 0.0 112.849 -176.871 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -68.62 -45.97 70.51 Favored 'General case' 0 CA--C 1.495 -1.165 0 N-CA-C 117.957 2.577 . . . . 0.0 117.957 -172.531 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.46 HD23 ' HB3' ' A' ' 17' ' ' SER . 23.8 mt -84.29 -53.7 5.3 Favored 'General case' 0 C--N 1.313 -1.001 0 O-C-N 120.131 -1.605 . . . . 0.0 109.351 176.404 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -54.46 -79.16 0.09 OUTLIER Glycine 0 N--CA 1.472 1.066 1 C-N-CA 133.045 5.117 . . . . 0.0 112.794 179.428 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . 0.267 . . -71.02 -40.25 71.88 Favored 'General case' 0 C--O 1.202 -1.433 1 O-C-N 116.322 -4.046 . . . . 0.0 114.208 -171.832 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.29 -89.98 0.17 Allowed 'General case' 0 N--CA 1.401 -2.895 0 O-C-N 119.666 -1.896 . . . . 0.0 113.317 -178.847 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 150.02 128.19 1.57 Allowed Glycine 0 CA--C 1.56 2.888 0 CA-C-O 125.141 2.523 . . . . 0.0 109.469 -172.832 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild core ' A' A ' 17' ' ' SER . . . . . 0.46 ' HB3' HD23 ' A' ' 12' ' ' LEU . 47.5 t -150.02 164.28 35.94 Favored 'General case' 0 C--O 1.204 -1.337 0 CA-C-N 112.367 -1.917 . . . . 0.0 108.09 160.744 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 86.7 m -89.37 106.38 18.41 Favored 'General case' 0 C--N 1.391 2.389 0 CA-C-O 123.188 1.471 . . . . 0.0 113.031 165.851 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 26.2 ttt -70.96 -50.82 30.31 Favored 'General case' 0 N--CA 1.412 -2.374 0 C-N-CA 127.512 2.325 . . . . 0.0 112.422 168.285 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.272 2.527 0 CA-C-O 124.814 2.341 . . . . 0.0 111.167 177.965 . . . . . . . . 0 0 . 1 . 002 ecloud nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 19.2 m . . . . . 0 N--CA 1.508 2.453 0 N-CA-C 121.28 3.808 . . . . 0.0 121.28 . . . . . . . . . 0 0 . 1 . 002 ecloud nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -90.32 69.92 2.26 Favored Glycine 0 C--O 1.188 -2.719 0 C-N-CA 116.408 -2.806 . . . . 0.0 116.474 -171.964 . . . . . . . . 1 1 . 1 . 002 ecloud nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.9 mm -59.15 -58.37 7.24 Favored 'Isoleucine or valine' 0 N--CA 1.401 -2.877 0 C-N-CA 130.856 3.663 . . . . 0.0 112.927 -174.362 . . . . . . . . 1 1 . 1 . 002 ecloud nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -76.13 -17.01 80.28 Favored Glycine 0 C--N 1.363 2.081 0 O-C-N 120.014 -1.679 . . . . 0.0 113.462 179.446 . . . . . . . . 1 1 . 1 . 002 ecloud nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.47 -43.53 98.59 Favored 'General case' 0 C--N 1.36 1.031 0 O-C-N 118.595 -2.709 . . . . 0.0 114.115 169.007 . . . . . . . . 1 1 . 1 . 002 ecloud nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.288 41.5 tp -75.85 -61.99 1.74 Allowed 'General case' 1 N--CA 1.373 -4.29 0 O-C-N 119.386 -2.071 . . . . 0.0 106.984 178.139 . . . . . . . . 3 2 . 1 . 002 ecloud nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.287 27.8 m-85 -68.46 -56.16 9.36 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 116.926 2.195 . . . . 0.0 116.926 -167.136 . . . . . . . . 2 2 . 1 . 002 ecloud nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.8 mt -78.77 -34.69 45.41 Favored 'General case' 0 C--O 1.188 -2.176 0 CA-C-N 120.455 1.48 . . . . 0.0 113.873 169.064 . . . . . . . . 1 1 . 1 . 002 ecloud nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -79.56 -64.04 1.94 Allowed Glycine 0 N--CA 1.51 3.581 0 N-CA-C 111.411 -0.676 . . . . 0.0 111.411 -169.926 . . . . . . . . 1 1 . 1 . 002 ecloud nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -79.78 -46.69 16.51 Favored 'General case' 0 C--N 1.373 1.602 0 CA-C-O 121.887 0.851 . . . . 0.0 111.744 -172.022 . . . . . . . . 1 1 . 1 . 002 ecloud nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.1 mt -87.7 -44.63 11.03 Favored 'General case' 0 C--N 1.386 2.162 0 C-N-CA 125.52 1.528 . . . . 0.0 112.518 -174.138 . . . . . . . . 1 1 . 1 . 002 ecloud nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.23 -69.67 1.36 Allowed Glycine 0 N--CA 1.47 0.933 0 C-N-CA 119.524 -1.322 . . . . 0.0 114.738 -175.516 . . . . . . . . 1 1 . 1 . 002 ecloud nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.6 -70.77 0.35 Allowed 'General case' 0 CA--C 1.486 -1.487 0 N-CA-C 116.169 1.914 . . . . 0.0 116.169 175.448 . . . . . . . . 1 1 . 1 . 002 ecloud nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.89 -43.93 94.51 Favored 'General case' 0 CA--C 1.568 1.667 1 O-C-N 116.008 -4.183 . . . . 0.0 109.823 -170.998 . . . . . . . . 2 2 . 1 . 002 ecloud nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.14 120.45 4.51 Favored Glycine 0 C--N 1.396 3.895 0 O-C-N 117.867 -3.021 . . . . 0.0 106.613 165.084 . . . . . . . . 1 1 . 1 . 002 ecloud nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.5 t -145.37 -141.56 0.12 Allowed 'General case' 0 C--O 1.243 0.759 0 CA-C-O 114.108 -2.853 . . . . 0.0 109.352 -179.563 . . . . . . . . 1 1 . 1 . 002 ecloud nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 92.9 m -127.66 111.93 14.28 Favored 'General case' 0 C--N 1.285 -2.198 0 CA-C-N 123.132 2.696 . . . . 0.0 109.198 -166.795 . . . . . . . . 1 1 . 1 . 002 ecloud nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 11.4 ttt -91.25 -100.74 0.11 Allowed 'General case' 0 CA--C 1.559 1.305 0 O-C-N 119.113 -2.242 . . . . 0.0 109.556 179.541 . . . . . . . . 1 1 . 1 . 002 ecloud nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.66 0 CA-C-O 115.714 -2.714 . . . . 0.0 113.467 -174.944 . . . . . . . . 0 0 . 1 . 003 ecloud nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.8 m . . . . . 0 CA--C 1.562 1.412 0 CA-C-O 123.017 1.389 . . . . 0.0 113.471 . . . . . . . . . 0 0 . 1 . 003 ecloud nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -84.61 77.17 2.14 Favored Glycine 0 C--O 1.203 -1.821 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 -171.34 . . . . . . . . 1 1 . 1 . 003 ecloud nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 47.4 mm -62.55 -50.11 81.14 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.983 0 C-N-CA 130.071 3.348 . . . . 0.0 108.332 -178.32 . . . . . . . . 1 1 . 1 . 003 ecloud nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -79.84 -35.2 28.75 Favored Glycine 0 C--O 1.173 -3.666 0 O-C-N 119.876 -1.765 . . . . 0.0 109.502 -177.236 . . . . . . . . 1 1 . 1 . 003 ecloud nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.83 -52.25 21.55 Favored 'General case' 0 C--N 1.309 -1.195 0 C-N-CA 128.649 2.78 . . . . 0.0 113.231 -171.751 . . . . . . . . 1 1 . 1 . 003 ecloud nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.4 tp -68.37 -59.05 3.47 Favored 'General case' 0 N--CA 1.499 2.017 0 CA-C-O 125.651 2.643 . . . . 0.0 114.23 173.548 . . . . . . . . 1 1 . 1 . 003 ecloud nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -76.23 -47.16 24.95 Favored 'General case' 0 C--N 1.373 1.625 1 O-C-N 114.49 -5.131 . . . . 0.0 113.898 -171.381 . . . . . . . . 2 2 . 1 . 003 ecloud nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 27.2 mt -92.23 -36.47 13.23 Favored 'General case' 0 C--O 1.211 -0.955 0 O-C-N 118.79 -2.444 . . . . 0.0 110.265 -173.364 . . . . . . . . 1 1 . 1 . 003 ecloud nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.03 -69.5 1.39 Allowed Glycine 0 C--N 1.373 2.599 0 O-C-N 117.509 -3.245 . . . . 0.0 107.805 -176.622 . . . . . . . . 1 1 . 1 . 003 ecloud nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -80.68 -65.06 1.06 Allowed 'General case' 0 C--O 1.18 -2.56 0 N-CA-C 114.625 1.343 . . . . 0.0 114.625 -175.304 . . . . . . . . 1 1 . 1 . 003 ecloud nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.6 mt -62.27 -34.02 75.75 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 118.914 -2.366 . . . . 0.0 113.699 -175.235 . . . . . . . . 1 1 . 1 . 003 ecloud nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.71 -75.05 1.2 Allowed Glycine 0 C--O 1.187 -2.84 0 CA-C-O 126.596 3.331 . . . . 0.0 120.213 176.136 . . . . . . . . 1 1 . 1 . 003 ecloud nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.33 -46.48 66.97 Favored 'General case' 0 C--O 1.255 1.364 0 O-C-N 118.17 -2.959 . . . . 0.0 112.504 -171.367 . . . . . . . . 1 1 . 1 . 003 ecloud nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.43 -42.98 11.19 Favored 'General case' 0 C--O 1.189 -2.115 0 N-CA-C 105.873 -1.899 . . . . 0.0 105.873 -173.445 . . . . . . . . 1 1 . 1 . 003 ecloud nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 105.8 140.16 9.96 Favored Glycine 0 C--N 1.368 2.333 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.684 160.848 . . . . . . . . 1 1 . 1 . 003 ecloud nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.9 t -161.38 161.36 30.32 Favored 'General case' 0 N--CA 1.506 2.374 0 CA-C-O 124.208 1.956 . . . . 0.0 109.482 171.881 . . . . . . . . 1 1 . 1 . 003 ecloud nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 88.9 m -66.63 120.55 13.64 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 118.462 -2.649 . . . . 0.0 108.126 167.986 . . . . . . . . 1 1 . 1 . 003 ecloud nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 24.8 ttt -95.03 -41.98 8.86 Favored 'General case' 0 N--CA 1.401 -2.918 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 -179.939 . . . . . . . . 1 1 . 1 . 003 ecloud nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.398 -3.856 0 C-N-CA 125.693 1.616 . . . . 0.0 111.848 179.884 . . . . . . . . 0 0 . 1 . 004 ecloud nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.5 m . . . . . 0 C--O 1.285 2.969 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 . . . . . . . . . 0 0 . 1 . 004 ecloud nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -81.33 92.44 1.49 Allowed Glycine 0 N--CA 1.441 -0.978 0 O-C-N 127.353 2.908 . . . . 0.0 108.514 174.946 . . . . . . . . 1 1 . 1 . 004 ecloud nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.0 mm -69.44 -32.88 54.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 CA-C-O 122.675 1.226 . . . . 0.0 108.743 -176.145 . . . . . . . . 1 1 . 1 . 004 ecloud nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.2 -55.4 7.04 Favored Glycine 0 CA--C 1.47 -2.734 0 CA-C-N 114.133 -1.394 . . . . 0.0 115.445 177.315 . . . . . . . . 1 1 . 1 . 004 ecloud nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.92 -49.93 75.47 Favored 'General case' 0 C--O 1.196 -1.744 0 O-C-N 118.383 -2.833 . . . . 0.0 114.043 -171.091 . . . . . . . . 1 1 . 1 . 004 ecloud nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 23.0 tp -66.62 -61.88 1.75 Allowed 'General case' 0 C--O 1.258 1.525 0 CA-C-O 118.084 -0.96 . . . . 0.0 110.158 -176.239 . . . . . . . . 1 1 . 1 . 004 ecloud nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -74.83 -60.49 2.26 Favored 'General case' 0 CA--C 1.478 -1.819 0 CA-C-O 115.886 -2.007 . . . . 0.0 111.75 -173.399 . . . . . . . . 1 1 . 1 . 004 ecloud nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 24.4 mt -73.62 -34.63 65.1 Favored 'General case' 0 C--N 1.28 -2.436 0 N-CA-C 118.434 2.753 . . . . 0.0 118.434 178.241 . . . . . . . . 1 1 . 1 . 004 ecloud nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -79.83 -57.88 2.96 Favored Glycine 0 C--N 1.31 -0.889 0 CA-C-N 114.517 -1.219 . . . . 0.0 114.189 -176.843 . . . . . . . . 1 1 . 1 . 004 ecloud nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -85.1 -52.37 6.0 Favored 'General case' 0 C--O 1.285 2.95 0 O-C-N 119.845 -1.973 . . . . 0.0 109.882 -169.523 . . . . . . . . 1 1 . 1 . 004 ecloud nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.7 mt -83.97 -26.45 29.23 Favored 'General case' 0 CA--C 1.475 -1.942 0 CA-C-O 122.869 1.319 . . . . 0.0 112.618 -172.455 . . . . . . . . 1 1 . 1 . 004 ecloud nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -90.69 -60.55 1.35 Allowed Glycine 0 N--CA 1.413 -2.872 1 N-CA-C 123.749 4.26 . . . . 0.0 123.749 175.046 . . . . . . . . 2 2 . 1 . 004 ecloud nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.82 -52.98 11.3 Favored 'General case' 0 C--O 1.275 2.423 0 O-C-N 119.67 -2.077 . . . . 0.0 111.723 179.703 . . . . . . . . 1 1 . 1 . 004 ecloud nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.32 -58.56 5.61 Favored 'General case' 0 C--N 1.357 0.919 0 O-C-N 118.168 -2.832 . . . . 0.0 112.233 -177.361 . . . . . . . . 1 1 . 1 . 004 ecloud nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 117.97 45.34 0.5 Allowed Glycine 0 N--CA 1.404 -3.444 0 CA-C-O 115.838 -2.645 . . . . 0.0 118.619 175.162 . . . . . . . . 1 1 . 1 . 004 ecloud nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.5 t -77.43 -172.17 2.4 Favored 'General case' 0 C--O 1.268 2.034 0 C-N-CA 112.814 -3.554 . . . . 0.0 116.819 175.925 . . . . . . . . 1 1 . 1 . 004 ecloud nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.2 m -111.0 90.26 3.28 Favored 'General case' 0 C--N 1.377 1.778 0 C-N-CA 125.556 1.542 . . . . 0.0 108.938 -168.084 . . . . . . . . 1 1 . 1 . 004 ecloud nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.7 ttp -78.03 -48.55 15.89 Favored 'General case' 0 C--N 1.364 1.206 0 O-C-N 119.19 -2.194 . . . . 0.0 106.786 173.254 . . . . . . . . 1 1 . 1 . 004 ecloud nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.532 0 CA-C-O 125.177 2.543 . . . . 0.0 112.003 155.958 . . . . . . . . 0 0 . 1 . 005 ecloud nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.269 2.124 0 CA-C-O 123.979 1.847 . . . . 0.0 106.268 . . . . . . . . . 0 0 . 1 . 005 ecloud nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -77.96 100.11 1.58 Allowed Glycine 0 CA--C 1.542 1.77 0 N-CA-C 119.468 2.547 . . . . 0.0 119.468 159.303 . . . . . . . . 1 1 . 1 . 005 ecloud nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 50.5 mm -79.73 -50.69 17.53 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.379 0 O-C-N 118.996 -2.473 . . . . 0.0 113.72 177.782 . . . . . . . . 1 1 . 1 . 005 ecloud nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -76.58 -33.58 47.11 Favored Glycine 0 N--CA 1.477 1.384 0 O-C-N 117.055 -3.528 . . . . 0.0 109.222 177.594 . . . . . . . . 1 1 . 1 . 005 ecloud nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.98 -33.27 62.32 Favored 'General case' 0 N--CA 1.409 -2.489 0 C-N-CA 131.058 3.743 . . . . 0.0 117.138 166.656 . . . . . . . . 1 1 . 1 . 005 ecloud nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.5 tp -71.17 -66.71 0.58 Allowed 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 126.708 2.003 . . . . 0.0 110.612 166.668 . . . . . . . . 1 1 . 1 . 005 ecloud nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.286 40.9 m-85 -61.27 -56.79 16.5 Favored 'General case' 0 N--CA 1.427 -1.588 0 N-CA-C 117.954 2.576 . . . . 0.0 117.954 -167.951 . . . . . . . . 2 2 . 1 . 005 ecloud nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.8 mt -94.25 -36.01 12.19 Favored 'General case' 0 N--CA 1.412 -2.331 0 CA-C-N 110.507 -3.042 . . . . 0.0 107.68 -169.381 . . . . . . . . 1 1 . 1 . 005 ecloud nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.15 -59.3 2.44 Favored Glycine 0 C--N 1.385 3.27 0 O-C-N 127.546 3.029 . . . . 0.0 111.859 -177.828 . . . . . . . . 1 1 . 1 . 005 ecloud nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -83.34 -43.06 16.37 Favored 'General case' 0 CA--C 1.498 -1.04 0 O-C-N 119.409 -2.23 . . . . 0.0 113.268 -172.917 . . . . . . . . 1 1 . 1 . 005 ecloud nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.5 mt -81.74 -39.26 24.46 Favored 'General case' 0 C--N 1.363 1.19 0 N-CA-C 116.791 2.145 . . . . 0.0 116.791 -179.585 . . . . . . . . 1 1 . 1 . 005 ecloud nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.66 -82.78 0.46 Allowed Glycine 0 N--CA 1.425 -2.06 0 C-N-CA 129.159 3.266 . . . . 0.0 113.833 175.821 . . . . . . . . 1 1 . 1 . 005 ecloud nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . 0.304 . . -50.13 -60.08 3.3 Favored 'General case' 1 N--CA 1.377 -4.084 1 C-N-CA 132.818 4.447 . . . . 0.0 111.25 -172.483 . . . . . . . . 4 2 . 1 . 005 ecloud nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.83 -68.75 0.51 Allowed 'General case' 0 C--N 1.376 1.722 0 CA-C-N 111.796 -2.457 . . . . 0.0 114.983 -177.528 . . . . . . . . 1 1 . 1 . 005 ecloud nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 132.07 53.6 0.09 OUTLIER Glycine 0 C--N 1.387 3.391 1 O-C-N 114.717 -4.989 . . . . 0.0 113.807 159.596 . . . . . . . . 2 2 . 1 . 005 ecloud nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.8 t -91.45 144.9 25.09 Favored 'General case' 0 C--N 1.38 1.914 0 C-N-CA 118.276 -1.369 . . . . 0.0 110.631 162.682 . . . . . . . . 1 1 . 1 . 005 ecloud nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 63.5 m -73.08 126.58 30.34 Favored 'General case' 0 N--CA 1.509 2.492 0 N-CA-C 106.599 -1.63 . . . . 0.0 106.599 -179.445 . . . . . . . . 1 1 . 1 . 005 ecloud nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 25.7 ttt -84.72 -52.48 6.04 Favored 'General case' 0 CA--C 1.486 -1.506 0 C-N-CA 126.061 1.744 . . . . 0.0 114.165 159.827 . . . . . . . . 1 1 . 1 . 005 ecloud nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.373 2.617 0 O-C-N 119.696 -1.878 . . . . 0.0 111.406 176.985 . . . . . . . . 0 0 . 1 . 006 ecloud nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.0 m . . . . . 0 CA--C 1.476 -1.902 0 CA-C-O 124.777 2.227 . . . . 0.0 107.208 . . . . . . . . . 0 0 . 1 . 006 ecloud nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.04 93.04 0.85 Allowed Glycine 0 C--N 1.35 1.346 0 O-C-N 119.267 -2.146 . . . . 0.0 117.902 172.522 . . . . . . . . 1 1 . 1 . 006 ecloud nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 16.3 mm -53.92 -63.24 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.285 -2.196 0 CA-C-O 115.076 -2.392 . . . . 0.0 116.655 172.089 . . . . . . . . 1 1 . 1 . 006 ecloud nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -62.34 -40.07 98.57 Favored Glycine 0 C--N 1.358 1.784 0 CA-C-O 127.452 3.807 . . . . 0.0 116.089 171.856 . . . . . . . . 1 1 . 1 . 006 ecloud nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -41.39 -48.45 3.74 Favored 'General case' 0 C--N 1.375 1.702 0 O-C-N 116.828 -3.748 . . . . 0.0 116.818 169.014 . . . . . . . . 1 1 . 1 . 006 ecloud nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.331 25.9 tp -84.86 -53.11 5.55 Favored 'General case' 0 CA--C 1.593 2.613 0 CA-C-O 121.7 0.762 . . . . 0.0 110.716 177.151 . . . . . . . . 2 2 . 1 . 006 ecloud nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -70.12 -46.48 64.71 Favored 'General case' 0 N--CA 1.422 -1.874 0 O-C-N 119.628 -1.92 . . . . 0.0 113.293 -168.363 . . . . . . . . 1 1 . 1 . 006 ecloud nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.7 mt -82.89 -50.14 8.92 Favored 'General case' 0 C--N 1.39 2.331 0 C-N-CA 128.802 2.841 . . . . 0.0 114.932 178.175 . . . . . . . . 1 1 . 1 . 006 ecloud nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.66 -70.55 0.93 Allowed Glycine 1 C--N 1.404 4.345 0 C-N-CA 127.856 2.646 . . . . 0.0 114.676 171.372 . . . . . . . . 2 2 . 1 . 006 ecloud nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -84.65 -53.49 5.35 Favored 'General case' 0 CA--C 1.5 -0.947 0 N-CA-C 120.099 3.37 . . . . 0.0 120.099 -165.65 . . . . . . . . 1 1 . 1 . 006 ecloud nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.8 mt -70.79 -56.08 7.14 Favored 'General case' 0 N--CA 1.408 -2.529 0 CA-C-O 124.32 2.01 . . . . 0.0 110.261 172.293 . . . . . . . . 1 1 . 1 . 006 ecloud nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.0 -88.76 0.02 OUTLIER Glycine 0 CA--C 1.558 2.746 1 O-C-N 115.328 -4.607 . . . . 0.0 116.192 171.288 . . . . . . . . 2 2 . 1 . 006 ecloud nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.74 -59.05 5.06 Favored 'General case' 0 CA--C 1.582 2.185 0 CA-C-N 119.03 1.415 . . . . 0.0 113.949 -166.203 . . . . . . . . 1 1 . 1 . 006 ecloud nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.28 -60.66 2.95 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 116.712 2.115 . . . . 0.0 116.712 170.617 . . . . . . . . 1 1 . 1 . 006 ecloud nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.5 46.45 1.67 Allowed Glycine 0 C--N 1.391 3.629 0 N-CA-C 117.536 1.774 . . . . 0.0 117.536 171.955 . . . . . . . . 1 1 . 1 . 006 ecloud nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.8 t -77.61 170.22 16.94 Favored 'General case' 0 CA--C 1.571 1.776 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 159.641 . . . . . . . . 1 1 . 1 . 006 ecloud nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.2 m -99.44 138.31 36.71 Favored 'General case' 0 C--O 1.249 1.063 0 CA-C-O 125.615 2.626 . . . . 0.0 111.121 -167.624 . . . . . . . . 1 1 . 1 . 006 ecloud nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 7.7 ttt -95.59 -64.87 1.02 Allowed 'General case' 0 C--O 1.212 -0.882 0 CA-C-N 113.005 -1.907 . . . . 0.0 109.633 176.349 . . . . . . . . 1 1 . 1 . 006 ecloud nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.284 -2.31 1 C-N-CA 131.373 4.32 . . . . 0.0 112.39 -168.912 . . . . . . . . 1 1 . 1 . 007 ecloud nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.238 0.467 0 CA-C-O 124.448 2.07 . . . . 0.0 113.627 . . . . . . . . . 1 1 . 1 . 007 ecloud nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -95.56 82.94 0.86 Allowed Glycine 0 CA--C 1.462 -3.244 0 C-N-CA 127.584 2.516 . . . . 0.0 117.45 165.665 . . . . . . . . 1 1 . 1 . 007 ecloud nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.0 mm -59.98 -62.18 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 129.411 3.084 . . . . 0.0 110.451 174.333 . . . . . . . . 1 1 . 1 . 007 ecloud nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.0 -30.26 68.03 Favored Glycine 0 CA--C 1.463 -3.179 0 C-N-CA 116.492 -2.766 . . . . 0.0 112.126 -173.306 . . . . . . . . 1 1 . 1 . 007 ecloud nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.43 -37.05 82.11 Favored 'General case' 0 C--N 1.367 1.358 1 CA-C-O 129.145 4.307 . . . . 0.0 110.701 -175.529 . . . . . . . . 2 2 . 1 . 007 ecloud nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 52.2 tp -81.09 -71.32 0.48 Allowed 'General case' 0 C--N 1.368 1.409 0 O-C-N 118.225 -2.797 . . . . 0.0 108.495 178.297 . . . . . . . . 1 1 . 1 . 007 ecloud nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -67.71 -48.46 66.46 Favored 'General case' 0 N--CA 1.534 3.734 0 O-C-N 118.255 -2.778 . . . . 0.0 110.486 -168.826 . . . . . . . . 1 1 . 1 . 007 ecloud nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.7 mt -90.58 -31.73 16.58 Favored 'General case' 0 N--CA 1.398 -3.044 1 O-C-N 113.114 -5.991 . . . . 0.0 109.511 -173.072 . . . . . . . . 2 2 . 1 . 007 ecloud nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.81 -74.15 1.28 Allowed Glycine 0 C--N 1.38 3.005 0 CA-C-N 118.676 0.671 . . . . 0.0 113.844 173.965 . . . . . . . . 1 1 . 1 . 007 ecloud nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -74.64 -39.18 62.24 Favored 'General case' 0 CA--C 1.577 1.986 0 O-C-N 117.577 -3.307 . . . . 0.0 107.106 -157.162 . . . . . . . . 1 1 . 1 . 007 ecloud nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.3 mt -83.76 -47.18 11.43 Favored 'General case' 0 N--CA 1.408 -2.534 0 CA-C-N 114.109 -1.405 . . . . 0.0 112.064 -178.413 . . . . . . . . 1 1 . 1 . 007 ecloud nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.37 -84.91 0.1 OUTLIER Glycine 1 CA--C 1.437 -4.842 0 CA-C-O 126.917 3.509 . . . . 0.0 115.247 -176.67 . . . . . . . . 2 2 . 1 . 007 ecloud nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.06 -32.78 44.94 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 117.407 -3.408 . . . . 0.0 112.338 -169.161 . . . . . . . . 1 1 . 1 . 007 ecloud nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.37 -66.68 0.59 Allowed 'General case' 0 C--O 1.195 -1.795 0 CA-C-O 123.561 1.648 . . . . 0.0 113.18 175.477 . . . . . . . . 1 1 . 1 . 007 ecloud nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.76 47.85 0.24 Allowed Glycine 0 C--N 1.38 3.007 0 O-C-N 117.17 -3.457 . . . . 0.0 112.162 161.382 . . . . . . . . 1 1 . 1 . 007 ecloud nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.8 m -84.96 153.7 22.63 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 113.803 -3.159 . . . . 0.0 106.569 174.634 . . . . . . . . 1 1 . 1 . 007 ecloud nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . 0.264 62.6 m -60.04 122.28 13.95 Favored 'General case' 0 N--CA 1.416 -2.16 0 O-C-N 117.46 -3.275 . . . . 0.0 114.344 -178.11 . . . . . . . . 2 2 . 1 . 007 ecloud nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 6.0 ttt -103.44 -95.36 0.31 Allowed 'General case' 0 CA--C 1.459 -2.525 0 C-N-CA 126.435 1.894 . . . . 0.0 108.477 -174.164 . . . . . . . . 1 1 . 1 . 007 ecloud nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.187 -2.819 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 173.155 . . . . . . . . 0 0 . 1 . 008 ecloud nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.476 0.835 0 CA-C-O 120.881 0.372 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 008 ecloud nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.88 77.66 1.77 Allowed Glycine 0 N--CA 1.486 1.989 0 C-N-CA 127.028 2.251 . . . . 0.0 112.462 -169.177 . . . . . . . . 1 1 . 1 . 008 ecloud nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 36.8 mm -63.55 -54.2 35.43 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.339 0 O-C-N 118.037 -3.037 . . . . 0.0 107.495 179.963 . . . . . . . . 1 1 . 1 . 008 ecloud nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.11 -34.88 50.93 Favored Glycine 0 C--N 1.394 3.782 0 CA-C-O 117.758 -1.579 . . . . 0.0 112.035 -178.652 . . . . . . . . 1 1 . 1 . 008 ecloud nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -46.78 -39.23 11.4 Favored 'General case' 0 CA--C 1.594 2.669 0 CA-C-N 119.778 1.789 . . . . 0.0 115.6 162.83 . . . . . . . . 1 1 . 1 . 008 ecloud nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 19.7 tp -78.12 -58.32 3.32 Favored 'General case' 0 N--CA 1.404 -2.762 0 CA-C-O 124.312 2.006 . . . . 0.0 109.846 177.908 . . . . . . . . 1 1 . 1 . 008 ecloud nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.288 15.2 m-85 -65.29 -59.22 4.29 Favored 'General case' 0 CA--C 1.552 1.056 0 O-C-N 117.39 -3.319 . . . . 0.0 111.439 -168.557 . . . . . . . . 2 2 . 1 . 008 ecloud nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 84.5 mt -79.46 -39.99 30.91 Favored 'General case' 0 N--CA 1.439 -1.022 1 O-C-N 115.477 -4.514 . . . . 0.0 114.141 -179.165 . . . . . . . . 2 2 . 1 . 008 ecloud nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.68 -72.94 1.02 Allowed Glycine 1 C--N 1.418 5.121 0 N-CA-C 117.389 1.716 . . . . 0.0 117.389 179.855 . . . . . . . . 2 2 . 1 . 008 ecloud nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -71.9 -51.48 22.03 Favored 'General case' 0 C--N 1.362 1.143 0 C-N-CA 127.153 2.181 . . . . 0.0 109.001 -165.495 . . . . . . . . 1 1 . 1 . 008 ecloud nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.536 HD22 ' HB2' ' A' ' 19' ' ' MET . 78.2 mt -57.9 -81.92 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.745 0 O-C-N 119.632 -1.917 . . . . 0.0 114.871 166.006 . . . . . . . . 2 2 . 1 . 008 ecloud nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -43.38 -65.27 1.54 Allowed Glycine 0 C--N 1.387 3.368 1 N-CA-C 123.748 4.259 . . . . 0.0 123.748 178.354 . . . . . . . . 2 2 . 1 . 008 ecloud nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.78 -57.06 4.68 Favored 'General case' 0 C--N 1.364 1.203 0 O-C-N 116.809 -3.759 . . . . 0.0 115.181 178.501 . . . . . . . . 1 1 . 1 . 008 ecloud nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . 0.267 . . -62.66 -88.43 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.513 0 O-C-N 120.444 -1.41 . . . . 0.0 113.693 -178.624 . . . . . . . . 2 2 . 1 . 008 ecloud nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 165.78 -2.03 0.05 OUTLIER Glycine 0 C--O 1.203 -1.831 1 C-N-CA 112.796 -4.526 . . . . 0.0 113.302 -162.523 . . . . . . . . 2 2 . 1 . 008 ecloud nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.9 m -81.03 126.19 31.11 Favored 'General case' 0 C--O 1.167 -3.289 0 CA-C-N 118.431 1.116 . . . . 0.0 113.501 -171.551 . . . . . . . . 1 1 . 1 . 008 ecloud nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 85.2 m -60.17 117.61 5.35 Favored 'General case' 0 C--O 1.268 2.057 0 N-CA-C 115.871 1.804 . . . . 0.0 115.871 -178.704 . . . . . . . . 1 1 . 1 . 008 ecloud nobuild core ' A' A ' 19' ' ' MET . . . . . 0.536 ' HB2' HD22 ' A' ' 12' ' ' LEU . 40.5 ttp -84.62 -47.34 10.62 Favored 'General case' 0 C--O 1.244 0.764 0 O-C-N 119.104 -2.248 . . . . 0.0 108.754 163.367 . . . . . . . . 2 2 . 1 . 008 ecloud nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.265 2.053 0 CA-C-O 114.573 -3.349 . . . . 0.0 113.634 170.743 . . . . . . . . 0 0 . 1 . 009 ecloud nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.2 m . . . . . 0 CA--C 1.553 1.058 0 N-CA-C 115.393 1.627 . . . . 0.0 115.393 . . . . . . . . . 0 0 . 1 . 009 ecloud nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -97.99 86.57 0.8 Allowed Glycine 0 C--N 1.365 2.192 0 CA-C-O 125.457 2.698 . . . . 0.0 116.245 -175.021 . . . . . . . . 1 1 . 1 . 009 ecloud nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . 0.348 6.7 mm -62.83 -36.59 76.17 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.075 0 O-C-N 120.258 -1.73 . . . . 0.0 115.395 -176.155 . . . . . . . . 2 2 . 1 . 009 ecloud nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -82.36 -31.41 30.94 Favored Glycine 0 CA--C 1.454 -3.778 0 CA-C-N 112.414 -2.175 . . . . 0.0 116.054 177.036 . . . . . . . . 1 1 . 1 . 009 ecloud nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . 0.257 . . -60.41 -31.99 70.91 Favored 'General case' 0 C--O 1.197 -1.674 0 N-CA-C 117.958 2.577 . . . . 0.0 117.958 161.547 . . . . . . . . 2 2 . 1 . 009 ecloud nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 27.8 tp -73.33 -73.5 0.21 Allowed 'General case' 0 C--N 1.361 1.096 0 CA-C-O 124.423 2.059 . . . . 0.0 107.801 173.295 . . . . . . . . 1 1 . 1 . 009 ecloud nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -64.42 -62.11 1.8 Allowed 'General case' 0 C--N 1.408 3.132 0 N-CA-C 117.731 2.493 . . . . 0.0 117.731 -169.024 . . . . . . . . 1 1 . 1 . 009 ecloud nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 43.2 mt -77.17 -33.13 56.57 Favored 'General case' 0 C--N 1.364 1.206 0 N-CA-C 117.356 2.354 . . . . 0.0 117.356 -176.607 . . . . . . . . 1 1 . 1 . 009 ecloud nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.27 -74.97 1.24 Allowed Glycine 1 N--CA 1.378 -5.229 0 O-C-N 126.287 2.242 . . . . 0.0 117.017 175.446 . . . . . . . . 2 2 . 1 . 009 ecloud nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -58.22 -48.98 78.67 Favored 'General case' 0 N--CA 1.498 1.942 0 CA-C-N 122.59 3.195 . . . . 0.0 113.88 -178.5 . . . . . . . . 1 1 . 1 . 009 ecloud nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.4 mt -84.57 -65.66 0.98 Allowed 'General case' 0 C--N 1.398 2.687 0 N-CA-C 104.972 -2.232 . . . . 0.0 104.972 -174.141 . . . . . . . . 1 1 . 1 . 009 ecloud nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.8 -66.81 2.57 Favored Glycine 0 CA--C 1.556 2.645 1 N-CA-C 126.607 5.403 . . . . 0.0 126.607 -176.042 . . . . . . . . 2 2 . 1 . 009 ecloud nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.26 -44.66 16.03 Favored 'General case' 0 CA--C 1.576 1.97 0 O-C-N 119.556 -2.143 . . . . 0.0 111.077 -175.379 . . . . . . . . 1 1 . 1 . 009 ecloud nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.33 -50.34 22.59 Favored 'General case' 0 N--CA 1.393 -3.3 0 CA-C-O 122.861 1.315 . . . . 0.0 111.215 -174.787 . . . . . . . . 1 1 . 1 . 009 ecloud nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 111.04 50.13 0.64 Allowed Glycine 0 CA--C 1.464 -3.105 0 O-C-N 118.307 -2.746 . . . . 0.0 115.751 166.862 . . . . . . . . 1 1 . 1 . 009 ecloud nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.3 m -68.52 146.61 52.96 Favored 'General case' 0 C--O 1.209 -1.056 0 CA-C-N 123.27 3.535 . . . . 0.0 110.603 167.512 . . . . . . . . 1 1 . 1 . 009 ecloud nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 43.9 m -102.84 123.28 46.2 Favored 'General case' 0 CA--C 1.581 2.151 0 N-CA-C 102.296 -3.224 . . . . 0.0 102.296 -178.925 . . . . . . . . 1 1 . 1 . 009 ecloud nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.8 ttp -88.61 -58.4 2.57 Favored 'General case' 0 N--CA 1.403 -2.817 1 C-N-CA 132.66 4.384 . . . . 0.0 113.198 -172.581 . . . . . . . . 2 2 . 1 . 009 ecloud nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.378 2.864 0 O-C-N 118.487 -2.633 . . . . 0.0 107.896 -165.753 . . . . . . . . 0 0 . 1 . 010 ecloud nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.2 m . . . . . 0 CA--C 1.465 -2.319 0 CA-C-O 123.778 1.752 . . . . 0.0 106.918 . . . . . . . . . 0 0 . 1 . 010 ecloud nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -96.77 96.26 1.86 Allowed Glycine 1 C--N 1.406 4.472 0 N-CA-C 109.334 -1.506 . . . . 0.0 109.334 -163.83 . . . . . . . . 2 2 . 1 . 010 ecloud nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.0 mm -71.42 -43.92 72.31 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.642 0 C-N-CA 123.994 0.918 . . . . 0.0 110.087 -174.587 . . . . . . . . 1 1 . 1 . 010 ecloud nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -51.38 -53.04 29.96 Favored Glycine 1 CA--C 1.58 4.126 0 O-C-N 118.417 -2.677 . . . . 0.0 112.244 165.97 . . . . . . . . 2 2 . 1 . 010 ecloud nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.25 -46.96 82.55 Favored 'General case' 0 C--N 1.402 2.89 0 O-C-N 127.723 2.661 . . . . 0.0 115.906 -176.014 . . . . . . . . 1 1 . 1 . 010 ecloud nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 15.7 tp -61.71 -70.0 0.21 Allowed 'General case' 0 C--N 1.415 3.424 0 O-C-N 118.652 -2.53 . . . . 0.0 115.783 167.269 . . . . . . . . 1 1 . 1 . 010 ecloud nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.436 ' HA ' HD12 ' A' ' 12' ' ' LEU . 56.7 m-85 -85.05 -38.95 18.56 Favored 'General case' 0 C--O 1.251 1.165 0 O-C-N 117.71 -3.119 . . . . 0.0 114.19 -155.334 . . . . . . . . 2 2 . 1 . 010 ecloud nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 tt -83.31 -61.68 1.79 Allowed 'General case' 0 N--CA 1.437 -1.109 0 O-C-N 119.869 -1.769 . . . . 0.0 110.444 171.753 . . . . . . . . 1 1 . 1 . 010 ecloud nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.31 -61.66 4.1 Favored Glycine 0 N--CA 1.479 1.54 0 CA-C-N 120.929 1.695 . . . . 0.0 110.012 -170.816 . . . . . . . . 1 1 . 1 . 010 ecloud nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -69.61 -55.01 11.27 Favored 'General case' 0 CA--C 1.594 2.658 0 CA-C-N 121.485 2.642 . . . . 0.0 112.162 -175.284 . . . . . . . . 1 1 . 1 . 010 ecloud nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 8' ' ' PHE . 88.9 mt -63.72 -38.93 92.97 Favored 'General case' 0 C--O 1.275 2.433 0 O-C-N 117.527 -3.233 . . . . 0.0 119.318 -177.358 . . . . . . . . 2 2 . 1 . 010 ecloud nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.53 -49.1 0.53 Allowed Glycine 1 C--N 1.413 4.84 0 CA-C-O 115.136 -3.035 . . . . 0.0 112.279 -170.423 . . . . . . . . 2 2 . 1 . 010 ecloud nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.3 -52.19 24.72 Favored 'General case' 0 N--CA 1.42 -1.946 1 CA-C-N 125.025 4.412 . . . . 0.0 112.937 179.321 . . . . . . . . 2 2 . 1 . 010 ecloud nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.33 -57.25 3.8 Favored 'General case' 0 C--O 1.191 -2.001 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -177.984 . . . . . . . . 1 1 . 1 . 010 ecloud nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 131.88 38.42 0.26 Allowed Glycine 1 CA--C 1.449 -4.034 0 O-C-N 126.043 2.089 . . . . 0.0 113.799 148.837 . . . . . . . . 2 2 . 1 . 010 ecloud nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.0 m -79.88 161.77 25.39 Favored 'General case' 0 C--N 1.374 1.674 0 O-C-N 118.647 -2.678 . . . . 0.0 113.642 -178.256 . . . . . . . . 1 1 . 1 . 010 ecloud nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.1 m -96.54 116.73 29.57 Favored 'General case' 0 CA--C 1.492 -1.27 0 CA-C-O 126.357 2.98 . . . . 0.0 109.284 -168.274 . . . . . . . . 1 1 . 1 . 010 ecloud nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 45.7 ttp -78.01 -54.94 5.72 Favored 'General case' 0 CA--C 1.452 -2.812 0 O-C-N 117.454 -3.279 . . . . 0.0 105.061 170.334 . . . . . . . . 1 1 . 1 . 010 ecloud nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.48 -2.136 0 O-C-N 117.853 -3.029 . . . . 0.0 105.627 170.535 . . . . . . . . 0 0 . 1 . 011 ecloud nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.261 1.697 0 CA-C-O 123.582 1.658 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 011 ecloud nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -79.78 85.13 1.28 Allowed Glycine 0 CA--C 1.465 -3.042 0 O-C-N 118.615 -2.553 . . . . 0.0 112.757 174.38 . . . . . . . . 1 1 . 1 . 011 ecloud nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 6.8 mm -84.87 -52.33 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.375 0 C-N-CA 128.787 2.835 . . . . 0.0 112.353 -174.641 . . . . . . . . 1 1 . 1 . 011 ecloud nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -65.34 -39.15 95.71 Favored Glycine 0 C--N 1.382 3.115 1 CA-C-O 127.86 4.033 . . . . 0.0 111.508 175.102 . . . . . . . . 2 2 . 1 . 011 ecloud nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.14 -41.9 93.68 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 131.323 3.849 . . . . 0.0 107.339 176.767 . . . . . . . . 1 1 . 1 . 011 ecloud nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 25.9 tp -63.86 -82.49 0.02 OUTLIER 'General case' 0 C--O 1.2 -1.504 0 O-C-N 118.556 -2.59 . . . . 0.0 114.441 167.682 . . . . . . . . 1 1 . 1 . 011 ecloud nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -56.75 -52.22 65.82 Favored 'General case' 0 CA--C 1.499 -0.99 1 O-C-N 115.409 -4.557 . . . . 0.0 115.147 -173.997 . . . . . . . . 2 2 . 1 . 011 ecloud nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.3 mt -85.26 -34.32 21.98 Favored 'General case' 0 C--O 1.21 -1.026 0 CA-C-O 117.144 -1.408 . . . . 0.0 108.211 -169.468 . . . . . . . . 1 1 . 1 . 011 ecloud nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -83.51 -66.33 1.52 Allowed Glycine 1 N--CA 1.393 -4.191 0 CA-C-O 125.814 2.897 . . . . 0.0 115.132 178.812 . . . . . . . . 2 2 . 1 . 011 ecloud nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -71.84 -51.5 22.13 Favored 'General case' 0 N--CA 1.408 -2.554 0 O-C-N 118.277 -2.896 . . . . 0.0 112.272 -178.296 . . . . . . . . 1 1 . 1 . 011 ecloud nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.416 HD22 ' HB2' ' A' ' 19' ' ' MET . 56.3 mt -88.2 -18.75 28.01 Favored 'General case' 0 C--O 1.201 -1.449 0 O-C-N 117.915 -2.991 . . . . 0.0 118.238 -173.656 . . . . . . . . 2 2 . 1 . 011 ecloud nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -109.92 -54.26 0.56 Allowed Glycine 0 C--N 1.369 2.41 0 O-C-N 119.571 -1.956 . . . . 0.0 110.209 -175.291 . . . . . . . . 1 1 . 1 . 011 ecloud nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.37 -72.21 0.06 Allowed 'General case' 0 C--N 1.366 1.301 0 O-C-N 118.743 -2.622 . . . . 0.0 117.811 172.14 . . . . . . . . 1 1 . 1 . 011 ecloud nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.41 -56.08 11.11 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-N 112.771 -2.013 . . . . 0.0 105.954 -176.564 . . . . . . . . 1 1 . 1 . 011 ecloud nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 103.13 73.17 0.95 Allowed Glycine 0 N--CA 1.405 -3.374 0 O-C-N 118.82 -2.425 . . . . 0.0 112.746 175.609 . . . . . . . . 1 1 . 1 . 011 ecloud nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.56 154.14 20.29 Favored 'General case' 0 CA--C 1.457 -2.61 0 CA-C-O 125.168 2.413 . . . . 0.0 107.511 -177.669 . . . . . . . . 2 2 . 1 . 011 ecloud nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.8 m -70.83 109.53 5.05 Favored 'General case' 0 C--N 1.365 1.245 0 N-CA-C 117.669 2.47 . . . . 0.0 117.669 -165.594 . . . . . . . . 1 1 . 1 . 011 ecloud nobuild core ' A' A ' 19' ' ' MET . . . . . 0.416 ' HB2' HD22 ' A' ' 12' ' ' LEU . 25.0 ttt -86.14 -57.42 3.03 Favored 'General case' 0 N--CA 1.421 -1.918 0 CA-C-O 124.046 1.879 . . . . 0.0 114.358 -179.051 . . . . . . . . 2 2 . 1 . 011 ecloud nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.486 -1.768 0 CA-C-N 113.904 -1.498 . . . . 0.0 109.919 -154.211 . . . . . . . . 0 0 . 1 . 012 ecloud nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.8 m . . . . . 0 C--O 1.254 1.333 0 N-CA-C 116.393 1.997 . . . . 0.0 116.393 . . . . . . . . . 0 0 . 1 . 012 ecloud nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -93.95 72.45 1.2 Allowed Glycine 0 N--CA 1.508 3.483 0 C-N-CA 116.702 -2.666 . . . . 0.0 116.521 -167.935 . . . . . . . . 1 1 . 1 . 012 ecloud nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 25.1 mm -70.81 -64.31 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.425 -1.709 1 C-N-CA 132.373 4.269 . . . . 0.0 114.256 -172.34 . . . . . . . . 2 2 . 1 . 012 ecloud nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -57.21 -38.78 88.09 Favored Glycine 0 C--N 1.398 3.976 0 CA-C-O 126.08 3.045 . . . . 0.0 110.365 179.565 . . . . . . . . 1 1 . 1 . 012 ecloud nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.18 -33.39 73.31 Favored 'General case' 0 N--CA 1.42 -1.944 0 C-N-CA 126.157 1.783 . . . . 0.0 114.848 178.341 . . . . . . . . 1 1 . 1 . 012 ecloud nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.8 tp -71.1 -59.63 2.67 Favored 'General case' 0 N--CA 1.407 -2.597 0 O-C-N 119.289 -2.132 . . . . 0.0 114.442 165.481 . . . . . . . . 1 1 . 1 . 012 ecloud nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -72.17 -60.63 2.14 Favored 'General case' 0 C--O 1.257 1.489 0 O-C-N 119.203 -2.185 . . . . 0.0 110.471 -172.341 . . . . . . . . 1 1 . 1 . 012 ecloud nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.5 mt -70.95 -67.31 0.52 Allowed 'General case' 0 C--O 1.179 -2.623 0 O-C-N 119.001 -2.312 . . . . 0.0 111.464 -177.232 . . . . . . . . 1 1 . 1 . 012 ecloud nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.85 -70.09 0.8 Allowed Glycine 0 C--O 1.277 2.806 0 C-N-CA 127.755 2.597 . . . . 0.0 114.111 -179.692 . . . . . . . . 1 1 . 1 . 012 ecloud nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -75.71 -53.28 8.79 Favored 'General case' 0 C--N 1.382 2.021 1 O-C-N 113.318 -5.813 . . . . 0.0 109.81 -169.949 . . . . . . . . 2 2 . 1 . 012 ecloud nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.3 mt -84.27 -28.07 27.44 Favored 'General case' 0 C--O 1.274 2.35 0 O-C-N 116.868 -3.645 . . . . 0.0 112.617 -166.795 . . . . . . . . 1 1 . 1 . 012 ecloud nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.61 -56.71 1.31 Allowed Glycine 0 C--N 1.349 1.28 0 C-N-CA 127.184 2.326 . . . . 0.0 116.694 -175.924 . . . . . . . . 1 1 . 1 . 012 ecloud nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.38 -54.42 3.81 Favored 'General case' 0 N--CA 1.383 -3.797 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 -165.812 . . . . . . . . 1 1 . 1 . 012 ecloud nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . 0.349 . . -65.27 -71.38 0.19 Allowed 'General case' 0 CA--C 1.559 1.325 0 C-N-CA 118.706 -1.198 . . . . 0.0 110.421 174.273 . . . . . . . . 2 2 . 1 . 012 ecloud nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 137.32 26.7 0.37 Allowed Glycine 1 C--N 1.402 4.203 0 N-CA-C 120.422 2.929 . . . . 0.0 120.422 176.106 . . . . . . . . 2 2 . 1 . 012 ecloud nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.8 m -62.86 162.69 10.68 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-O 117.379 -1.296 . . . . 0.0 114.25 173.594 . . . . . . . . 1 1 . 1 . 012 ecloud nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.9 m -88.78 128.67 35.64 Favored 'General case' 0 C--N 1.4 2.798 0 CA-C-O 117.556 -1.211 . . . . 0.0 112.228 179.482 . . . . . . . . 1 1 . 1 . 012 ecloud nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 24.2 ttt -83.3 -74.98 0.34 Allowed 'General case' 0 C--N 1.274 -2.711 1 O-C-N 129.485 4.241 . . . . 0.0 111.039 171.165 . . . . . . . . 2 2 . 1 . 012 ecloud nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.509 3.549 0 O-C-N 119.177 -2.202 . . . . 0.0 113.002 -174.332 . . . . . . . . 0 0 . 1 . 013 ecloud nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.215 -0.736 0 CA-C-O 115.744 -2.074 . . . . 0.0 110.153 . . . . . . . . . 1 1 . 1 . 013 ecloud nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -85.98 79.5 1.86 Allowed Glycine 0 CA--C 1.547 2.09 2 C-N-CA 112.441 -4.695 . . . . 0.0 115.198 -175.606 . . . . . . . . 2 2 . 1 . 013 ecloud nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.1 mm -73.9 -64.92 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.478 -1.791 0 C-N-CA 126.584 1.954 . . . . 0.0 107.611 179.241 . . . . . . . . 1 1 . 1 . 013 ecloud nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.38 -39.64 73.59 Favored Glycine 0 CA--C 1.471 -2.69 0 C-N-CA 126.808 2.146 . . . . 0.0 114.312 179.485 . . . . . . . . 1 1 . 1 . 013 ecloud nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.6 -37.91 68.73 Favored 'General case' 0 C--O 1.26 1.655 0 CA-C-O 124.51 2.1 . . . . 0.0 116.372 168.045 . . . . . . . . 1 1 . 1 . 013 ecloud nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.9 tp -82.74 -59.15 2.6 Favored 'General case' 0 C--N 1.392 2.435 0 O-C-N 117.089 -3.507 . . . . 0.0 110.318 179.899 . . . . . . . . 1 1 . 1 . 013 ecloud nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.293 11.0 m-85 -76.06 -36.9 58.83 Favored 'General case' 0 CA--C 1.603 3.009 0 O-C-N 117.407 -3.308 . . . . 0.0 112.552 -170.168 . . . . . . . . 2 2 . 1 . 013 ecloud nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.9 mt -96.52 -48.61 5.47 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-O 117.323 -1.322 . . . . 0.0 108.894 -179.425 . . . . . . . . 1 1 . 1 . 013 ecloud nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.11 -60.76 2.21 Favored Glycine 0 N--CA 1.423 -2.221 0 CA-C-N 123.131 2.696 . . . . 0.0 117.873 -170.815 . . . . . . . . 1 1 . 1 . 013 ecloud nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . 0.305 55.4 t80 -56.85 -60.42 3.59 Favored 'General case' 0 N--CA 1.521 3.085 0 CA-C-N 111.754 -2.223 . . . . 0.0 114.678 176.693 . . . . . . . . 2 2 . 1 . 013 ecloud nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 35.8 mt -79.79 -34.57 39.56 Favored 'General case' 0 CA--C 1.575 1.916 0 C-N-CA 124.695 1.198 . . . . 0.0 112.452 -178.344 . . . . . . . . 1 1 . 1 . 013 ecloud nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.08 -73.07 1.28 Allowed Glycine 0 C--O 1.27 2.348 0 CA-C-O 119.289 -0.728 . . . . 0.0 112.733 -177.274 . . . . . . . . 1 1 . 1 . 013 ecloud nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.66 -62.27 1.45 Allowed 'General case' 0 N--CA 1.419 -2.023 0 C-N-CA 128.352 2.661 . . . . 0.0 111.277 -167.937 . . . . . . . . 1 1 . 1 . 013 ecloud nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.43 -20.93 63.78 Favored 'General case' 0 C--O 1.212 -0.9 0 CA-C-O 115.396 -2.24 . . . . 0.0 113.841 -179.572 . . . . . . . . 1 1 . 1 . 013 ecloud nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.82 34.24 13.75 Favored Glycine 0 CA--C 1.461 -3.299 0 CA-C-N 120.513 1.506 . . . . 0.0 115.361 167.777 . . . . . . . . 1 1 . 1 . 013 ecloud nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.8 m -59.54 132.41 53.89 Favored 'General case' 0 CA--C 1.468 -2.192 0 O-C-N 118.993 -2.474 . . . . 0.0 108.883 167.11 . . . . . . . . 1 1 . 1 . 013 ecloud nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 89.1 m -73.88 110.72 8.39 Favored 'General case' 0 CA--C 1.494 -1.209 0 CA-C-N 113.369 -1.742 . . . . 0.0 110.98 -179.02 . . . . . . . . 1 1 . 1 . 013 ecloud nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 10.9 ttt -75.01 -59.24 2.82 Favored 'General case' 0 C--O 1.267 1.977 1 O-C-N 115.744 -4.347 . . . . 0.0 115.583 -175.367 . . . . . . . . 2 2 . 1 . 013 ecloud nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.105 0 C-N-CA 117.966 -2.064 . . . . 0.0 108.054 -174.938 . . . . . . . . 0 0 . 1 . 014 ecloud nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.0 m . . . . . 0 CA--C 1.489 -1.369 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 . . . . . . . . . 0 0 . 1 . 014 ecloud nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -100.0 84.23 0.59 Allowed Glycine 0 N--CA 1.407 -3.254 0 CA-C-O 117.426 -1.763 . . . . 0.0 112.119 -157.939 . . . . . . . . 1 1 . 1 . 014 ecloud nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.8 mm -69.16 -40.94 81.13 Favored 'Isoleucine or valine' 0 C--N 1.38 1.906 0 O-C-N 129.826 3.898 . . . . 0.0 119.75 165.662 . . . . . . . . 1 1 . 1 . 014 ecloud nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.83 -54.26 5.45 Favored Glycine 0 N--CA 1.502 3.09 0 C-N-CA 129.605 3.478 . . . . 0.0 108.744 -173.427 . . . . . . . . 1 1 . 1 . 014 ecloud nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.48 -37.3 72.69 Favored 'General case' 0 CA--C 1.463 -2.396 0 N-CA-C 115.254 1.576 . . . . 0.0 115.254 -175.431 . . . . . . . . 1 1 . 1 . 014 ecloud nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 21.7 tp -78.0 -52.46 8.76 Favored 'General case' 0 C--N 1.399 2.76 0 C-N-CA 126.905 2.082 . . . . 0.0 109.144 -175.894 . . . . . . . . 1 1 . 1 . 014 ecloud nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -86.6 -31.96 20.88 Favored 'General case' 0 N--CA 1.433 -1.297 0 CA-C-O 115.933 -1.984 . . . . 0.0 114.9 -176.448 . . . . . . . . 1 1 . 1 . 014 ecloud nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 67.7 mt -82.89 -49.46 9.63 Favored 'General case' 1 C--N 1.446 4.768 1 CA-C-N 126.954 4.434 . . . . 0.0 105.742 -177.455 . . . . . . . . 3 2 . 1 . 014 ecloud nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -90.37 -55.41 1.95 Allowed Glycine 0 C--N 1.364 2.127 0 C-N-CA 125.237 1.399 . . . . 0.0 112.105 -162.675 . . . . . . . . 1 1 . 1 . 014 ecloud nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -80.4 -59.49 2.68 Favored 'General case' 0 CA--C 1.586 2.36 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.597 -172.553 . . . . . . . . 1 1 . 1 . 014 ecloud nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.0 mt -69.86 -50.35 43.49 Favored 'General case' 0 CA--C 1.575 1.942 0 CA-C-O 122.996 1.379 . . . . 0.0 110.083 172.717 . . . . . . . . 1 1 . 1 . 014 ecloud nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.04 -57.46 4.8 Favored Glycine 0 CA--C 1.576 3.847 1 O-C-N 115.089 -4.757 . . . . 0.0 112.508 -168.032 . . . . . . . . 2 2 . 1 . 014 ecloud nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.32 -51.56 6.49 Favored 'General case' 0 N--CA 1.414 -2.233 0 N-CA-C 116.029 1.862 . . . . 0.0 116.029 -176.164 . . . . . . . . 1 1 . 1 . 014 ecloud nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . 0.384 . . -58.46 -40.01 81.48 Favored 'General case' 0 N--CA 1.428 -1.556 0 N-CA-C 117.352 2.353 . . . . 0.0 117.352 170.238 . . . . . . . . 2 2 . 1 . 014 ecloud nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.14 53.63 2.78 Favored Glycine 1 CA--C 1.45 -4.008 0 O-C-N 118.873 -2.392 . . . . 0.0 116.466 170.052 . . . . . . . . 2 2 . 1 . 014 ecloud nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.1 m -99.27 147.9 24.7 Favored 'General case' 0 CA--C 1.578 2.041 0 CA-C-O 124.881 2.277 . . . . 0.0 108.316 166.389 . . . . . . . . 1 1 . 1 . 014 ecloud nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 88.3 m -63.68 121.08 13.07 Favored 'General case' 0 CA--C 1.583 2.23 0 O-C-N 119.314 -2.116 . . . . 0.0 113.547 -178.447 . . . . . . . . 1 1 . 1 . 014 ecloud nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 7.0 ttp -91.76 -38.17 12.54 Favored 'General case' 0 CA--C 1.496 -1.102 0 CA-C-N 112.382 -2.19 . . . . 0.0 115.338 -176.506 . . . . . . . . 1 1 . 1 . 014 ecloud nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.398 3.987 1 N-CA-C 97.115 -6.394 . . . . 0.0 97.115 170.153 . . . . . . . . 1 1 . 1 . 015 ecloud nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 16.8 m . . . . . 0 CA--C 1.556 1.209 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 . . . . . . . . . 0 0 . 1 . 015 ecloud nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -105.33 67.87 0.26 Allowed Glycine 0 CA--C 1.461 -3.341 0 N-CA-C 118.718 2.247 . . . . 0.0 118.718 -166.778 . . . . . . . . 1 1 . 1 . 015 ecloud nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 38.4 mm -65.17 -50.84 71.84 Favored 'Isoleucine or valine' 0 N--CA 1.387 -3.614 0 CA-C-O 123.585 1.66 . . . . 0.0 114.512 -168.465 . . . . . . . . 1 1 . 1 . 015 ecloud nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -67.94 -42.87 84.63 Favored Glycine 1 N--CA 1.379 -5.107 0 CA-C-N 111.307 -2.679 . . . . 0.0 117.085 170.027 . . . . . . . . 2 2 . 1 . 015 ecloud nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . 0.256 . . -42.26 -45.5 4.19 Favored 'General case' 0 C--N 1.391 2.395 0 N-CA-C 116.688 2.107 . . . . 0.0 116.688 165.122 . . . . . . . . 2 2 . 1 . 015 ecloud nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 45.8 tp -73.01 -61.46 1.8 Allowed 'General case' 0 CA--C 1.476 -1.898 0 C-N-CA 126.993 2.117 . . . . 0.0 110.356 -179.968 . . . . . . . . 1 1 . 1 . 015 ecloud nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -72.19 -41.22 67.22 Favored 'General case' 0 N--CA 1.397 -3.112 0 N-CA-C 119.6 3.185 . . . . 0.0 119.6 -174.915 . . . . . . . . 1 1 . 1 . 015 ecloud nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 55.6 mt -83.91 -43.73 14.98 Favored 'General case' 0 C--N 1.374 1.665 0 O-C-N 117.859 -3.026 . . . . 0.0 112.988 177.42 . . . . . . . . 1 1 . 1 . 015 ecloud nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -80.08 -47.98 6.75 Favored Glycine 0 C--N 1.352 1.428 0 C-N-CA 126.684 2.088 . . . . 0.0 117.349 -173.719 . . . . . . . . 1 1 . 1 . 015 ecloud nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -86.05 -43.14 13.35 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.645 1.722 . . . . 0.0 109.622 -176.188 . . . . . . . . 1 1 . 1 . 015 ecloud nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.4 mt -91.27 -43.45 9.8 Favored 'General case' 0 N--CA 1.428 -1.574 0 CA-C-O 123.771 1.748 . . . . 0.0 110.251 -170.84 . . . . . . . . 1 1 . 1 . 015 ecloud nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.49 -81.18 0.58 Allowed Glycine 0 CA--C 1.563 3.085 0 O-C-N 118.994 -2.316 . . . . 0.0 116.982 176.013 . . . . . . . . 1 1 . 1 . 015 ecloud nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.02 -57.99 6.43 Favored 'General case' 0 C--N 1.399 2.733 0 C-N-CA 129.554 3.142 . . . . 0.0 114.064 173.633 . . . . . . . . 1 1 . 1 . 015 ecloud nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . 0.335 . . -76.75 -41.82 43.39 Favored 'General case' 0 CA--C 1.577 1.991 0 N-CA-C 116.044 1.868 . . . . 0.0 116.044 -177.361 . . . . . . . . 2 2 . 1 . 015 ecloud nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.76 36.06 4.66 Favored Glycine 0 CA--C 1.458 -3.523 0 CA-C-N 120.321 1.419 . . . . 0.0 114.416 164.913 . . . . . . . . 1 1 . 1 . 015 ecloud nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.9 t -83.74 172.53 12.14 Favored 'General case' 0 CA--C 1.481 -1.709 0 CA-C-N 118.781 1.291 . . . . 0.0 114.289 -175.525 . . . . . . . . 1 1 . 1 . 015 ecloud nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.6 m -67.78 129.05 38.71 Favored 'General case' 0 C--O 1.271 2.201 0 O-C-N 119.627 -1.921 . . . . 0.0 111.346 -177.295 . . . . . . . . 1 1 . 1 . 015 ecloud nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 7.2 ttt -98.21 -84.46 0.39 Allowed 'General case' 0 C--N 1.388 2.278 0 CA-C-O 124.311 2.005 . . . . 0.0 108.932 176.438 . . . . . . . . 1 1 . 1 . 015 ecloud nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.421 -2.36 0 O-C-N 119.045 -2.285 . . . . 0.0 108.087 176.523 . . . . . . . . 0 0 . 1 . 016 ecloud nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.4 m . . . . . 0 C--O 1.209 -1.038 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 . . . . . . . . . 0 0 . 1 . 016 ecloud nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -82.47 66.47 3.9 Favored Glycine 0 N--CA 1.492 2.407 0 O-C-N 117.43 -3.294 . . . . 0.0 115.335 -164.484 . . . . . . . . 1 1 . 1 . 016 ecloud nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.7 mm -59.76 -53.47 48.02 Favored 'Isoleucine or valine' 0 C--O 1.269 2.119 0 CA-C-N 113.309 -1.446 . . . . 0.0 112.937 174.616 . . . . . . . . 1 1 . 1 . 016 ecloud nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.72 -53.71 39.87 Favored Glycine 0 CA--C 1.543 1.83 0 O-C-N 118.318 -2.739 . . . . 0.0 114.521 168.64 . . . . . . . . 1 1 . 1 . 016 ecloud nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . 0.259 . . -35.06 -63.45 0.33 Allowed 'General case' 0 N--CA 1.512 2.626 0 C-N-CA 125.605 1.562 . . . . 0.0 115.161 166.053 . . . . . . . . 2 2 . 1 . 016 ecloud nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 17.3 tp -81.16 -51.16 8.75 Favored 'General case' 0 C--N 1.367 1.344 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 -170.214 . . . . . . . . 1 1 . 1 . 016 ecloud nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.406 ' HA ' HD12 ' A' ' 12' ' ' LEU . 97.9 m-85 -83.9 -39.99 19.15 Favored 'General case' 0 C--N 1.385 2.147 0 CA-C-N 122.808 2.549 . . . . 0.0 115.681 -169.201 . . . . . . . . 2 2 . 1 . 016 ecloud nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.5 mt -94.1 -37.69 11.48 Favored 'General case' 0 N--CA 1.519 3.019 0 CA-C-O 124.117 1.913 . . . . 0.0 115.732 177.022 . . . . . . . . 1 1 . 1 . 016 ecloud nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.15 -51.51 4.67 Favored Glycine 0 CA--C 1.495 -1.171 0 O-C-N 117.34 -3.35 . . . . 0.0 112.729 -177.693 . . . . . . . . 1 1 . 1 . 016 ecloud nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -86.55 -62.22 1.56 Allowed 'General case' 0 N--CA 1.437 -1.107 0 O-C-N 116.793 -3.769 . . . . 0.0 111.283 -170.049 . . . . . . . . 1 1 . 1 . 016 ecloud nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 8' ' ' PHE . 20.2 mt -64.82 -46.98 79.69 Favored 'General case' 0 N--CA 1.503 2.205 0 C-N-CA 127.577 2.351 . . . . 0.0 116.568 172.828 . . . . . . . . 2 2 . 1 . 016 ecloud nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.83 -79.48 0.32 Allowed Glycine 0 C--O 1.173 -3.67 0 CA-C-O 126.651 3.362 . . . . 0.0 116.848 177.345 . . . . . . . . 1 1 . 1 . 016 ecloud nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.62 -66.11 0.59 Allowed 'General case' 0 CA--C 1.573 1.865 0 O-C-N 117.751 -3.206 . . . . 0.0 114.137 -177.102 . . . . . . . . 1 1 . 1 . 016 ecloud nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.88 -50.77 72.21 Favored 'General case' 0 C--N 1.385 2.127 1 O-C-N 115.967 -4.208 . . . . 0.0 113.237 175.654 . . . . . . . . 2 2 . 1 . 016 ecloud nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 109.04 40.97 1.47 Allowed Glycine 0 CA--C 1.47 -2.738 0 O-C-N 117.794 -3.066 . . . . 0.0 111.352 164.965 . . . . . . . . 1 1 . 1 . 016 ecloud nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.0 t -69.98 158.93 34.71 Favored 'General case' 0 CA--C 1.571 1.777 0 O-C-N 119.635 -2.097 . . . . 0.0 113.352 174.916 . . . . . . . . 1 1 . 1 . 016 ecloud nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.3 m -75.69 116.89 16.87 Favored 'General case' 0 C--O 1.219 -0.529 0 C-N-CA 124.208 1.003 . . . . 0.0 112.547 179.997 . . . . . . . . 1 1 . 1 . 016 ecloud nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 13.7 ttt -84.71 -50.76 7.34 Favored 'General case' 0 C--O 1.26 1.644 0 CA-C-O 123.731 1.729 . . . . 0.0 112.783 165.828 . . . . . . . . 1 1 . 1 . 016 ecloud nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.381 3.03 0 C-N-CA 125.719 1.628 . . . . 0.0 111.194 161.723 . . . . . . . . 0 0 . 1 . 017 ecloud nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.6 m . . . . . 0 C--O 1.221 -0.437 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 . . . . . . . . . 0 0 . 1 . 017 ecloud nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -87.78 89.02 1.58 Allowed Glycine 0 N--CA 1.494 2.513 0 O-C-N 118.08 -2.887 . . . . 0.0 112.282 176.25 . . . . . . . . 1 1 . 1 . 017 ecloud nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 39.5 mm -76.75 -42.35 33.64 Favored 'Isoleucine or valine' 0 C--O 1.275 2.439 0 O-C-N 117.801 -3.176 . . . . 0.0 117.112 170.155 . . . . . . . . 1 1 . 1 . 017 ecloud nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -76.79 -30.63 55.77 Favored Glycine 0 CA--C 1.475 -2.442 0 CA-C-O 115.305 -2.942 . . . . 0.0 114.712 173.095 . . . . . . . . 1 1 . 1 . 017 ecloud nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.03 -39.43 92.28 Favored 'General case' 0 C--O 1.208 -1.124 0 CA-C-N 123.006 3.403 . . . . 0.0 112.07 174.022 . . . . . . . . 1 1 . 1 . 017 ecloud nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.4 tp -70.35 -70.7 0.28 Allowed 'General case' 0 C--O 1.188 -2.145 0 O-C-N 125.015 1.447 . . . . 0.0 112.236 175.614 . . . . . . . . 1 1 . 1 . 017 ecloud nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -64.9 -42.24 94.93 Favored 'General case' 0 C--N 1.377 1.785 0 O-C-N 119.433 -2.042 . . . . 0.0 112.247 -166.786 . . . . . . . . 1 1 . 1 . 017 ecloud nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 24.8 mt -98.24 -43.72 6.86 Favored 'General case' 0 N--CA 1.445 -0.694 0 O-C-N 120.66 -1.275 . . . . 0.0 108.814 -164.512 . . . . . . . . 1 1 . 1 . 017 ecloud nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.68 -80.94 0.19 Allowed Glycine 1 N--CA 1.522 4.408 0 C-N-CA 125.418 1.485 . . . . 0.0 112.665 178.611 . . . . . . . . 2 2 . 1 . 017 ecloud nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -73.6 -53.24 10.96 Favored 'General case' 0 CA--C 1.616 3.489 0 C-N-CA 126.387 1.875 . . . . 0.0 109.535 -168.298 . . . . . . . . 1 1 . 1 . 017 ecloud nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 70.6 mt -77.29 -13.17 59.99 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 121.152 1.796 . . . . 0.0 115.759 173.585 . . . . . . . . 1 1 . 1 . 017 ecloud nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -98.89 -82.03 1.64 Allowed Glycine 0 CA--C 1.483 -1.923 0 CA-C-N 120.531 1.514 . . . . 0.0 113.404 176.38 . . . . . . . . 1 1 . 1 . 017 ecloud nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.76 -47.17 61.01 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-O 124.213 1.958 . . . . 0.0 111.913 -161.431 . . . . . . . . 1 1 . 1 . 017 ecloud nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.79 98.87 Favored 'General case' 0 CA--C 1.456 -2.67 0 C-N-CA 128.725 2.81 . . . . 0.0 113.45 168.753 . . . . . . . . 1 1 . 1 . 017 ecloud nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.24 44.62 4.33 Favored Glycine 0 C--N 1.362 1.977 0 CA-C-O 123.866 1.815 . . . . 0.0 111.026 165.225 . . . . . . . . 1 1 . 1 . 017 ecloud nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.4 t -85.51 -179.01 6.83 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 119.377 -2.249 . . . . 0.0 110.105 179.498 . . . . . . . . 1 1 . 1 . 017 ecloud nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.6 m -95.68 120.89 36.73 Favored 'General case' 0 CA--C 1.439 -3.326 0 O-C-N 120.277 -1.514 . . . . 0.0 111.454 -177.723 . . . . . . . . 1 1 . 1 . 017 ecloud nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 17.6 ttt -88.42 -55.78 3.58 Favored 'General case' 0 C--O 1.267 2.012 0 C-N-CA 127.827 2.451 . . . . 0.0 113.948 176.595 . . . . . . . . 1 1 . 1 . 017 ecloud nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.474 -2.49 0 C-N-CA 116.92 -2.562 . . . . 0.0 109.707 -171.149 . . . . . . . . 0 0 . 1 . 018 ecloud nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.1 m . . . . . 0 C--O 1.208 -1.091 0 N-CA-C 105.333 -2.099 . . . . 0.0 105.333 . . . . . . . . . 0 0 . 1 . 018 ecloud nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -86.97 70.9 2.83 Favored Glycine 0 C--N 1.368 2.317 0 CA-C-O 113.986 -3.674 . . . . 0.0 112.901 -171.679 . . . . . . . . 1 1 . 1 . 018 ecloud nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.4 mm -70.79 -54.53 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.193 0 O-C-N 127.663 2.625 . . . . 0.0 107.302 -175.419 . . . . . . . . 1 1 . 1 . 018 ecloud nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -84.19 -24.13 49.1 Favored Glycine 1 C--O 1.165 -4.203 0 O-C-N 120.237 -1.539 . . . . 0.0 110.938 -171.064 . . . . . . . . 2 2 . 1 . 018 ecloud nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.51 -31.54 72.33 Favored 'General case' 1 N--CA 1.366 -4.647 0 O-C-N 119.56 -2.141 . . . . 0.0 114.539 168.1 . . . . . . . . 2 2 . 1 . 018 ecloud nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 19.1 tp -77.53 -74.68 0.24 Allowed 'General case' 0 N--CA 1.487 1.392 0 CA-C-O 125.432 2.539 . . . . 0.0 110.331 169.299 . . . . . . . . 1 1 . 1 . 018 ecloud nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.262 12.0 m-85 -58.06 -39.15 77.76 Favored 'General case' 0 CA--C 1.476 -1.893 0 N-CA-C 119.03 2.974 . . . . 0.0 119.03 -167.064 . . . . . . . . 2 2 . 1 . 018 ecloud nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 43.4 mt -84.72 -65.13 1.04 Allowed 'General case' 0 C--N 1.295 -1.793 0 CA-C-O 124.307 2.003 . . . . 0.0 111.727 172.032 . . . . . . . . 1 1 . 1 . 018 ecloud nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.47 -50.52 49.05 Favored Glycine 0 CA--C 1.464 -3.156 0 CA-C-O 124.929 2.405 . . . . 0.0 114.554 -162.309 . . . . . . . . 1 1 . 1 . 018 ecloud nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -89.23 -60.65 1.89 Allowed 'General case' 0 CA--C 1.503 -0.855 1 O-C-N 116.187 -4.126 . . . . 0.0 111.398 -175.81 . . . . . . . . 2 2 . 1 . 018 ecloud nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . 0.296 55.7 mt -56.61 -54.68 43.23 Favored 'General case' 0 C--O 1.193 -1.909 0 C-N-CA 128.035 2.534 . . . . 0.0 110.018 176.697 . . . . . . . . 2 2 . 1 . 018 ecloud nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.66 -71.7 1.16 Allowed Glycine 1 C--N 1.437 6.17 0 O-C-N 119.702 -1.874 . . . . 0.0 116.595 179.851 . . . . . . . . 2 2 . 1 . 018 ecloud nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . 0.312 . . -77.32 -48.03 18.45 Favored 'General case' 0 N--CA 1.429 -1.507 0 CA-C-N 120.854 2.327 . . . . 0.0 111.92 -160.135 . . . . . . . . 2 2 . 1 . 018 ecloud nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.12 -32.69 72.25 Favored 'General case' 0 N--CA 1.511 2.622 0 C-N-CA 117.785 -1.566 . . . . 0.0 111.876 171.358 . . . . . . . . 1 1 . 1 . 018 ecloud nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.2 32.91 5.9 Favored Glycine 0 CA--C 1.469 -2.796 0 O-C-N 119.573 -1.955 . . . . 0.0 111.539 168.926 . . . . . . . . 1 1 . 1 . 018 ecloud nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.2 t -73.94 138.65 44.37 Favored 'General case' 0 C--N 1.373 1.588 1 O-C-N 116.012 -4.228 . . . . 0.0 111.15 178.837 . . . . . . . . 2 2 . 1 . 018 ecloud nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 55.7 m -85.96 134.43 33.87 Favored 'General case' 0 C--O 1.257 1.449 0 O-C-N 118.846 -2.408 . . . . 0.0 109.719 -177.948 . . . . . . . . 1 1 . 1 . 018 ecloud nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 13.2 ttt -80.12 -61.08 2.09 Favored 'General case' 0 CA--C 1.473 -2.01 1 C-N-CA 132.995 4.518 . . . . 0.0 115.461 177.728 . . . . . . . . 2 2 . 1 . 018 ecloud nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 1.863 0 C-N-CA 117.045 -2.503 . . . . 0.0 112.336 156.048 . . . . . . . . 0 0 . 1 . 019 ecloud nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.5 m . . . . . 0 CA--C 1.577 2.015 0 N-CA-C 110.486 -0.19 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 019 ecloud nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.68 67.44 3.16 Favored Glycine 0 C--O 1.294 3.844 0 C-N-CA 125.59 1.566 . . . . 0.0 113.114 -171.462 . . . . . . . . 1 1 . 1 . 019 ecloud nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.8 mm -67.8 -59.25 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 N-CA-C 118.35 2.722 . . . . 0.0 118.35 179.778 . . . . . . . . 1 1 . 1 . 019 ecloud nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -67.15 -33.01 81.82 Favored Glycine 0 N--CA 1.413 -2.862 0 CA-C-N 109.967 -3.288 . . . . 0.0 112.046 175.556 . . . . . . . . 1 1 . 1 . 019 ecloud nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.01 -38.36 75.93 Favored 'General case' 0 N--CA 1.41 -2.433 0 C-N-CA 127.124 2.17 . . . . 0.0 106.031 -175.613 . . . . . . . . 1 1 . 1 . 019 ecloud nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.276 6.9 tp -67.67 -63.32 1.08 Allowed 'General case' 0 C--O 1.198 -1.638 0 O-C-N 117.385 -3.322 . . . . 0.0 111.358 173.201 . . . . . . . . 2 2 . 1 . 019 ecloud nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -66.78 -64.38 0.87 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.38 1.872 . . . . 0.0 113.528 -170.188 . . . . . . . . 1 1 . 1 . 019 ecloud nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 24.4 mt -75.8 -33.77 60.15 Favored 'General case' 0 C--O 1.243 0.731 0 C-N-CA 123.869 0.868 . . . . 0.0 110.665 -172.637 . . . . . . . . 1 1 . 1 . 019 ecloud nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.03 -58.64 1.09 Allowed Glycine 0 C--O 1.191 -2.561 0 N-CA-C 116.808 1.483 . . . . 0.0 116.808 -165.967 . . . . . . . . 1 1 . 1 . 019 ecloud nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -75.97 -51.77 11.69 Favored 'General case' 0 CA--C 1.491 -1.292 0 C-N-CA 125.024 1.33 . . . . 0.0 113.327 179.681 . . . . . . . . 1 1 . 1 . 019 ecloud nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 50.0 mt -77.18 -59.65 2.69 Favored 'General case' 0 C--N 1.385 2.138 0 C-N-CA 126.859 2.063 . . . . 0.0 108.577 -179.116 . . . . . . . . 1 1 . 1 . 019 ecloud nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.38 -83.52 0.05 OUTLIER Glycine 0 N--CA 1.51 3.582 0 CA-C-O 115.68 -2.733 . . . . 0.0 117.955 173.621 . . . . . . . . 1 1 . 1 . 019 ecloud nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.54 -54.41 28.44 Favored 'General case' 0 C--N 1.293 -1.886 0 CA-C-O 112.119 -3.8 . . . . 0.0 113.092 -173.55 . . . . . . . . 1 1 . 1 . 019 ecloud nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.57 -83.69 0.01 OUTLIER 'General case' 0 C--O 1.21 -1.021 0 CA-C-N 122.896 2.589 . . . . 0.0 111.296 178.118 . . . . . . . . 1 1 . 1 . 019 ecloud nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 138.77 39.93 0.1 Allowed Glycine 0 N--CA 1.417 -2.606 0 C-N-CA 117.576 -2.25 . . . . 0.0 110.255 159.683 . . . . . . . . 1 1 . 1 . 019 ecloud nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.3 t -57.47 179.36 0.06 Allowed 'General case' 0 CA--C 1.491 -1.3 0 C-N-CA 131.612 3.965 . . . . 0.0 113.491 169.098 . . . . . . . . 1 1 . 1 . 019 ecloud nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 92.9 m -116.87 123.53 47.26 Favored 'General case' 0 N--CA 1.401 -2.912 0 C-N-CA 129.466 3.106 . . . . 0.0 107.745 -164.38 . . . . . . . . 1 1 . 1 . 019 ecloud nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 29.7 ttp -93.93 -52.82 4.25 Favored 'General case' 0 C--O 1.257 1.476 0 CA-C-O 124.181 1.943 . . . . 0.0 113.459 166.507 . . . . . . . . 1 1 . 1 . 019 ecloud nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.058 0 N-CA-C 103.381 -3.887 . . . . 0.0 103.381 172.111 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 0.268 . . . . . . . 0 N--CA 1.493 1.723 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 17.8 t -112.73 142.37 25.33 Favored 'Isoleucine or valine' 0 CA--C 1.466 -2.287 0 C-N-CA 127.453 2.301 . . . . 0.0 111.961 -164.087 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.38 82.21 0.01 OUTLIER Glycine 0 C--O 1.259 1.718 0 N-CA-C 122.78 3.872 . . . . 0.0 122.78 -162.737 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.3 mm -71.85 -56.77 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 C-N-CA 130.796 3.638 . . . . 0.0 113.211 173.052 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -62.86 -29.15 73.21 Favored Glycine 1 N--CA 1.532 5.045 0 C-N-CA 125.389 1.471 . . . . 0.0 115.011 167.676 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.89 -44.23 27.74 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 120.754 3.613 . . . . 0.0 120.754 174.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 24.1 tp -66.86 -60.61 2.51 Favored 'General case' 0 C--O 1.197 -1.705 0 CA-C-N 122.641 2.473 . . . . 0.0 117.357 174.879 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -72.34 -64.74 0.89 Allowed 'General case' 0 N--CA 1.506 2.332 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 -178.202 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.9 mt -70.99 -47.08 60.85 Favored 'General case' 0 C--O 1.262 1.74 0 CA-C-O 116.175 -1.869 . . . . 0.0 109.62 -174.995 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -74.29 -70.22 1.28 Allowed Glycine 0 CA--C 1.56 2.877 0 CA-C-O 117.98 -1.456 . . . . 0.0 112.849 -176.871 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -68.62 -45.97 70.51 Favored 'General case' 0 CA--C 1.495 -1.165 0 N-CA-C 117.957 2.577 . . . . 0.0 117.957 -172.531 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.46 HD23 ' HB3' ' A' ' 17' ' ' SER . 23.8 mt -84.29 -53.7 5.3 Favored 'General case' 0 C--N 1.313 -1.001 0 O-C-N 120.131 -1.605 . . . . 0.0 109.351 176.404 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -54.46 -79.16 0.09 OUTLIER Glycine 0 N--CA 1.472 1.066 1 C-N-CA 133.045 5.117 . . . . 0.0 112.794 179.428 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . 0.267 . . -71.02 -40.25 71.88 Favored 'General case' 0 C--O 1.202 -1.433 1 O-C-N 116.322 -4.046 . . . . 0.0 114.208 -171.832 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.29 -89.98 0.17 Allowed 'General case' 0 N--CA 1.401 -2.895 0 O-C-N 119.666 -1.896 . . . . 0.0 113.317 -178.847 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 150.02 128.19 1.57 Allowed Glycine 0 CA--C 1.56 2.888 0 CA-C-O 125.141 2.523 . . . . 0.0 109.469 -172.832 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' SER . . . . . 0.46 ' HB3' HD23 ' A' ' 12' ' ' LEU . 47.5 t -150.02 164.28 35.94 Favored 'General case' 0 C--O 1.204 -1.337 0 CA-C-N 112.367 -1.917 . . . . 0.0 108.09 160.744 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 86.7 m -89.37 106.38 18.41 Favored 'General case' 0 C--N 1.391 2.389 0 CA-C-O 123.188 1.471 . . . . 0.0 113.031 165.851 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 26.2 ttt -70.96 -50.82 30.31 Favored 'General case' 0 N--CA 1.412 -2.374 0 C-N-CA 127.512 2.325 . . . . 0.0 112.422 168.285 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -172.51 -134.4 1.8 Allowed Glycine 0 C--O 1.272 2.527 0 CA-C-O 124.814 2.341 . . . . 0.0 111.167 177.965 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -172.25 178.95 2.71 Favored 'General case' 0 CA--C 1.482 -1.663 1 C-N-CA 132.423 4.289 . . . . 0.0 106.162 -175.614 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 51.9 mtp180 -103.48 -40.83 6.19 Favored 'General case' 0 N--CA 1.412 -2.352 0 C-N-CA 127.535 2.334 . . . . 0.0 111.704 171.867 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . 0.328 93.9 p -85.81 -108.56 0.05 Allowed 'General case' 0 CA--C 1.509 -0.634 0 C-N-CA 128.376 2.67 . . . . 0.0 113.871 -177.212 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.888 0 O-C-N 120.113 -1.617 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 ecloud nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.578 5.94 0 CA-C-O 117.371 -1.3 . . . . 0.0 107.967 . . . . . . . . . 1 1 . 1 . 002 ecloud nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 19.2 m -68.5 167.34 1.69 Allowed 'Isoleucine or valine' 0 N--CA 1.508 2.453 0 N-CA-C 121.28 3.808 . . . . 0.0 121.28 178.291 . . . . . . . . 1 1 . 1 . 002 ecloud nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -90.32 69.92 2.26 Favored Glycine 0 C--O 1.188 -2.719 0 C-N-CA 116.408 -2.806 . . . . 0.0 116.474 -171.964 . . . . . . . . 1 1 . 1 . 002 ecloud nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.9 mm -59.15 -58.37 7.24 Favored 'Isoleucine or valine' 0 N--CA 1.401 -2.877 0 C-N-CA 130.856 3.663 . . . . 0.0 112.927 -174.362 . . . . . . . . 1 1 . 1 . 002 ecloud nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -76.13 -17.01 80.28 Favored Glycine 0 C--N 1.363 2.081 0 O-C-N 120.014 -1.679 . . . . 0.0 113.462 179.446 . . . . . . . . 1 1 . 1 . 002 ecloud nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.47 -43.53 98.59 Favored 'General case' 0 C--N 1.36 1.031 0 O-C-N 118.595 -2.709 . . . . 0.0 114.115 169.007 . . . . . . . . 1 1 . 1 . 002 ecloud nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.288 41.5 tp -75.85 -61.99 1.74 Allowed 'General case' 1 N--CA 1.373 -4.29 0 O-C-N 119.386 -2.071 . . . . 0.0 106.984 178.139 . . . . . . . . 3 2 . 1 . 002 ecloud nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.287 27.8 m-85 -68.46 -56.16 9.36 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 116.926 2.195 . . . . 0.0 116.926 -167.136 . . . . . . . . 2 2 . 1 . 002 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.8 mt -78.77 -34.69 45.41 Favored 'General case' 0 C--O 1.188 -2.176 0 CA-C-N 120.455 1.48 . . . . 0.0 113.873 169.064 . . . . . . . . 1 1 . 1 . 002 ecloud nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -79.56 -64.04 1.94 Allowed Glycine 0 N--CA 1.51 3.581 0 N-CA-C 111.411 -0.676 . . . . 0.0 111.411 -169.926 . . . . . . . . 1 1 . 1 . 002 ecloud nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -79.78 -46.69 16.51 Favored 'General case' 0 C--N 1.373 1.602 0 CA-C-O 121.887 0.851 . . . . 0.0 111.744 -172.022 . . . . . . . . 1 1 . 1 . 002 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.1 mt -87.7 -44.63 11.03 Favored 'General case' 0 C--N 1.386 2.162 0 C-N-CA 125.52 1.528 . . . . 0.0 112.518 -174.138 . . . . . . . . 1 1 . 1 . 002 ecloud nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.23 -69.67 1.36 Allowed Glycine 0 N--CA 1.47 0.933 0 C-N-CA 119.524 -1.322 . . . . 0.0 114.738 -175.516 . . . . . . . . 1 1 . 1 . 002 ecloud nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.6 -70.77 0.35 Allowed 'General case' 0 CA--C 1.486 -1.487 0 N-CA-C 116.169 1.914 . . . . 0.0 116.169 175.448 . . . . . . . . 1 1 . 1 . 002 ecloud nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.89 -43.93 94.51 Favored 'General case' 0 CA--C 1.568 1.667 1 O-C-N 116.008 -4.183 . . . . 0.0 109.823 -170.998 . . . . . . . . 2 2 . 1 . 002 ecloud nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.14 120.45 4.51 Favored Glycine 0 C--N 1.396 3.895 0 O-C-N 117.867 -3.021 . . . . 0.0 106.613 165.084 . . . . . . . . 1 1 . 1 . 002 ecloud nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.5 t -145.37 -141.56 0.12 Allowed 'General case' 0 C--O 1.243 0.759 0 CA-C-O 114.108 -2.853 . . . . 0.0 109.352 -179.563 . . . . . . . . 1 1 . 1 . 002 ecloud nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 92.9 m -127.66 111.93 14.28 Favored 'General case' 0 C--N 1.285 -2.198 0 CA-C-N 123.132 2.696 . . . . 0.0 109.198 -166.795 . . . . . . . . 1 1 . 1 . 002 ecloud nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 11.4 ttt -91.25 -100.74 0.11 Allowed 'General case' 0 CA--C 1.559 1.305 0 O-C-N 119.113 -2.242 . . . . 0.0 109.556 179.541 . . . . . . . . 1 1 . 1 . 002 ecloud nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -155.38 -135.08 1.96 Allowed Glycine 0 C--N 1.296 -1.66 0 CA-C-O 115.714 -2.714 . . . . 0.0 113.467 -174.944 . . . . . . . . 1 1 . 1 . 002 ecloud nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -174.76 174.79 2.54 Favored 'General case' 0 C--O 1.185 -2.316 0 CA-C-O 124.787 2.232 . . . . 0.0 106.332 -173.758 . . . . . . . . 1 1 . 1 . 002 ecloud nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -102.08 -47.19 4.63 Favored 'General case' 0 C--N 1.384 2.08 0 O-C-N 118.18 -2.825 . . . . 0.0 107.583 -170.956 . . . . . . . . 1 1 . 1 . 002 ecloud nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.0 p -57.92 -59.75 4.78 Favored 'General case' 0 N--CA 1.401 -2.91 0 N-CA-C 118.119 2.637 . . . . 0.0 118.119 176.659 . . . . . . . . 1 1 . 1 . 002 ecloud nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.385 2.145 0 O-C-N 121.95 -0.469 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 ecloud nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.522 3.169 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 . . . . . . . . . 0 0 . 1 . 003 ecloud nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.8 m -82.61 156.59 3.92 Favored 'Isoleucine or valine' 0 C--N 1.383 2.023 0 CA-C-N 125.025 3.557 . . . . 0.0 113.471 160.766 . . . . . . . . 1 1 . 1 . 003 ecloud nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -84.61 77.17 2.14 Favored Glycine 0 C--O 1.203 -1.821 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 -171.34 . . . . . . . . 1 1 . 1 . 003 ecloud nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 47.4 mm -62.55 -50.11 81.14 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.983 0 C-N-CA 130.071 3.348 . . . . 0.0 108.332 -178.32 . . . . . . . . 1 1 . 1 . 003 ecloud nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -79.84 -35.2 28.75 Favored Glycine 0 C--O 1.173 -3.666 0 O-C-N 119.876 -1.765 . . . . 0.0 109.502 -177.236 . . . . . . . . 1 1 . 1 . 003 ecloud nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.83 -52.25 21.55 Favored 'General case' 0 C--N 1.309 -1.195 0 C-N-CA 128.649 2.78 . . . . 0.0 113.231 -171.751 . . . . . . . . 1 1 . 1 . 003 ecloud nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.4 tp -68.37 -59.05 3.47 Favored 'General case' 0 N--CA 1.499 2.017 0 CA-C-O 125.651 2.643 . . . . 0.0 114.23 173.548 . . . . . . . . 1 1 . 1 . 003 ecloud nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -76.23 -47.16 24.95 Favored 'General case' 0 C--N 1.373 1.625 1 O-C-N 114.49 -5.131 . . . . 0.0 113.898 -171.381 . . . . . . . . 2 2 . 1 . 003 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 27.2 mt -92.23 -36.47 13.23 Favored 'General case' 0 C--O 1.211 -0.955 0 O-C-N 118.79 -2.444 . . . . 0.0 110.265 -173.364 . . . . . . . . 1 1 . 1 . 003 ecloud nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.03 -69.5 1.39 Allowed Glycine 0 C--N 1.373 2.599 0 O-C-N 117.509 -3.245 . . . . 0.0 107.805 -176.622 . . . . . . . . 1 1 . 1 . 003 ecloud nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -80.68 -65.06 1.06 Allowed 'General case' 0 C--O 1.18 -2.56 0 N-CA-C 114.625 1.343 . . . . 0.0 114.625 -175.304 . . . . . . . . 1 1 . 1 . 003 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.6 mt -62.27 -34.02 75.75 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 118.914 -2.366 . . . . 0.0 113.699 -175.235 . . . . . . . . 1 1 . 1 . 003 ecloud nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.71 -75.05 1.2 Allowed Glycine 0 C--O 1.187 -2.84 0 CA-C-O 126.596 3.331 . . . . 0.0 120.213 176.136 . . . . . . . . 1 1 . 1 . 003 ecloud nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.33 -46.48 66.97 Favored 'General case' 0 C--O 1.255 1.364 0 O-C-N 118.17 -2.959 . . . . 0.0 112.504 -171.367 . . . . . . . . 1 1 . 1 . 003 ecloud nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.43 -42.98 11.19 Favored 'General case' 0 C--O 1.189 -2.115 0 N-CA-C 105.873 -1.899 . . . . 0.0 105.873 -173.445 . . . . . . . . 1 1 . 1 . 003 ecloud nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 105.8 140.16 9.96 Favored Glycine 0 C--N 1.368 2.333 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.684 160.848 . . . . . . . . 1 1 . 1 . 003 ecloud nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.9 t -161.38 161.36 30.32 Favored 'General case' 0 N--CA 1.506 2.374 0 CA-C-O 124.208 1.956 . . . . 0.0 109.482 171.881 . . . . . . . . 1 1 . 1 . 003 ecloud nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 88.9 m -66.63 120.55 13.64 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 118.462 -2.649 . . . . 0.0 108.126 167.986 . . . . . . . . 1 1 . 1 . 003 ecloud nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 24.8 ttt -95.03 -41.98 8.86 Favored 'General case' 0 N--CA 1.401 -2.918 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 -179.939 . . . . . . . . 1 1 . 1 . 003 ecloud nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 153.99 -154.51 25.56 Favored Glycine 0 N--CA 1.398 -3.856 0 C-N-CA 125.693 1.616 . . . . 0.0 111.848 179.884 . . . . . . . . 1 1 . 1 . 003 ecloud nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . 0.251 . . -151.7 160.32 43.66 Favored 'General case' 0 CA--C 1.497 -1.074 0 O-C-N 117.602 -3.293 . . . . 0.0 112.269 -178.886 . . . . . . . . 2 2 . 1 . 003 ecloud nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 29.3 mtp180 -65.84 -90.46 0.01 OUTLIER 'General case' 0 C--O 1.273 2.306 0 O-C-N 127.434 2.959 . . . . 0.0 113.379 -178.431 . . . . . . . . 1 1 . 1 . 003 ecloud nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 91.2 p -80.41 -21.1 42.55 Favored 'General case' 0 C--N 1.379 1.868 0 O-C-N 118.614 -2.553 . . . . 0.0 115.921 163.462 . . . . . . . . 1 1 . 1 . 003 ecloud nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.448 0 CA-C-N 112.655 -2.066 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 ecloud nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.106 0 CA-C-O 116.569 -1.681 . . . . 0.0 108.983 . . . . . . . . . 0 0 . 1 . 004 ecloud nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.5 m -100.74 160.13 3.73 Favored 'Isoleucine or valine' 0 C--O 1.285 2.969 0 CA-C-N 120.662 1.574 . . . . 0.0 114.686 -174.445 . . . . . . . . 1 1 . 1 . 004 ecloud nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -81.33 92.44 1.49 Allowed Glycine 0 N--CA 1.441 -0.978 0 O-C-N 127.353 2.908 . . . . 0.0 108.514 174.946 . . . . . . . . 1 1 . 1 . 004 ecloud nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.0 mm -69.44 -32.88 54.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 CA-C-O 122.675 1.226 . . . . 0.0 108.743 -176.145 . . . . . . . . 1 1 . 1 . 004 ecloud nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.2 -55.4 7.04 Favored Glycine 0 CA--C 1.47 -2.734 0 CA-C-N 114.133 -1.394 . . . . 0.0 115.445 177.315 . . . . . . . . 1 1 . 1 . 004 ecloud nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.92 -49.93 75.47 Favored 'General case' 0 C--O 1.196 -1.744 0 O-C-N 118.383 -2.833 . . . . 0.0 114.043 -171.091 . . . . . . . . 1 1 . 1 . 004 ecloud nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 23.0 tp -66.62 -61.88 1.75 Allowed 'General case' 0 C--O 1.258 1.525 0 CA-C-O 118.084 -0.96 . . . . 0.0 110.158 -176.239 . . . . . . . . 1 1 . 1 . 004 ecloud nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -74.83 -60.49 2.26 Favored 'General case' 0 CA--C 1.478 -1.819 0 CA-C-O 115.886 -2.007 . . . . 0.0 111.75 -173.399 . . . . . . . . 1 1 . 1 . 004 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 24.4 mt -73.62 -34.63 65.1 Favored 'General case' 0 C--N 1.28 -2.436 0 N-CA-C 118.434 2.753 . . . . 0.0 118.434 178.241 . . . . . . . . 1 1 . 1 . 004 ecloud nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -79.83 -57.88 2.96 Favored Glycine 0 C--N 1.31 -0.889 0 CA-C-N 114.517 -1.219 . . . . 0.0 114.189 -176.843 . . . . . . . . 1 1 . 1 . 004 ecloud nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -85.1 -52.37 6.0 Favored 'General case' 0 C--O 1.285 2.95 0 O-C-N 119.845 -1.973 . . . . 0.0 109.882 -169.523 . . . . . . . . 1 1 . 1 . 004 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.7 mt -83.97 -26.45 29.23 Favored 'General case' 0 CA--C 1.475 -1.942 0 CA-C-O 122.869 1.319 . . . . 0.0 112.618 -172.455 . . . . . . . . 1 1 . 1 . 004 ecloud nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -90.69 -60.55 1.35 Allowed Glycine 0 N--CA 1.413 -2.872 1 N-CA-C 123.749 4.26 . . . . 0.0 123.749 175.046 . . . . . . . . 2 2 . 1 . 004 ecloud nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.82 -52.98 11.3 Favored 'General case' 0 C--O 1.275 2.423 0 O-C-N 119.67 -2.077 . . . . 0.0 111.723 179.703 . . . . . . . . 1 1 . 1 . 004 ecloud nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.32 -58.56 5.61 Favored 'General case' 0 C--N 1.357 0.919 0 O-C-N 118.168 -2.832 . . . . 0.0 112.233 -177.361 . . . . . . . . 1 1 . 1 . 004 ecloud nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 117.97 45.34 0.5 Allowed Glycine 0 N--CA 1.404 -3.444 0 CA-C-O 115.838 -2.645 . . . . 0.0 118.619 175.162 . . . . . . . . 1 1 . 1 . 004 ecloud nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.5 t -77.43 -172.17 2.4 Favored 'General case' 0 C--O 1.268 2.034 0 C-N-CA 112.814 -3.554 . . . . 0.0 116.819 175.925 . . . . . . . . 1 1 . 1 . 004 ecloud nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.2 m -111.0 90.26 3.28 Favored 'General case' 0 C--N 1.377 1.778 0 C-N-CA 125.556 1.542 . . . . 0.0 108.938 -168.084 . . . . . . . . 1 1 . 1 . 004 ecloud nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.7 ttp -78.03 -48.55 15.89 Favored 'General case' 0 C--N 1.364 1.206 0 O-C-N 119.19 -2.194 . . . . 0.0 106.786 173.254 . . . . . . . . 1 1 . 1 . 004 ecloud nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 142.99 -149.69 21.58 Favored Glycine 0 N--CA 1.494 2.532 0 CA-C-O 125.177 2.543 . . . . 0.0 112.003 155.958 . . . . . . . . 1 1 . 1 . 004 ecloud nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.65 167.67 14.21 Favored 'General case' 0 C--O 1.259 1.584 0 O-C-N 118.008 -3.054 . . . . 0.0 116.641 -173.464 . . . . . . . . 1 1 . 1 . 004 ecloud nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.1 mtp180 -65.07 -57.19 9.26 Favored 'General case' 0 C--N 1.38 1.92 0 CA-C-N 110.155 -3.202 . . . . 0.0 117.186 -179.777 . . . . . . . . 1 1 . 1 . 004 ecloud nobuild full ' A' A ' 23' ' ' SER . . . . . 0.414 ' HG ' ' N ' ' A' ' 24' ' ' NH2 . 77.5 p -87.78 -75.94 0.4 Allowed 'General case' 0 C--N 1.392 2.438 1 CA-C-N 107.629 -4.35 . . . . 0.0 108.692 -177.963 . . . . . . . . 3 3 . 1 . 004 ecloud nobuild full ' A' A ' 24' ' ' NH2 . . . . . 0.414 ' N ' ' HG ' ' A' ' 23' ' ' SER . . . . . . . . 0 C--N 1.332 -0.185 1 O-C-N 115.374 -4.579 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 ecloud nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.776 0 CA-C-O 122.318 1.056 . . . . 0.0 112.19 . . . . . . . . . 0 0 . 1 . 005 ecloud nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.7 m -125.96 158.18 35.4 Favored 'Isoleucine or valine' 0 C--O 1.269 2.124 0 CA-C-O 123.979 1.847 . . . . 0.0 106.268 178.223 . . . . . . . . 1 1 . 1 . 005 ecloud nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -77.96 100.11 1.58 Allowed Glycine 0 CA--C 1.542 1.77 0 N-CA-C 119.468 2.547 . . . . 0.0 119.468 159.303 . . . . . . . . 1 1 . 1 . 005 ecloud nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 50.5 mm -79.73 -50.69 17.53 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.379 0 O-C-N 118.996 -2.473 . . . . 0.0 113.72 177.782 . . . . . . . . 1 1 . 1 . 005 ecloud nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -76.58 -33.58 47.11 Favored Glycine 0 N--CA 1.477 1.384 0 O-C-N 117.055 -3.528 . . . . 0.0 109.222 177.594 . . . . . . . . 1 1 . 1 . 005 ecloud nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.98 -33.27 62.32 Favored 'General case' 0 N--CA 1.409 -2.489 0 C-N-CA 131.058 3.743 . . . . 0.0 117.138 166.656 . . . . . . . . 1 1 . 1 . 005 ecloud nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.5 tp -71.17 -66.71 0.58 Allowed 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 126.708 2.003 . . . . 0.0 110.612 166.668 . . . . . . . . 1 1 . 1 . 005 ecloud nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.286 40.9 m-85 -61.27 -56.79 16.5 Favored 'General case' 0 N--CA 1.427 -1.588 0 N-CA-C 117.954 2.576 . . . . 0.0 117.954 -167.951 . . . . . . . . 2 2 . 1 . 005 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.8 mt -94.25 -36.01 12.19 Favored 'General case' 0 N--CA 1.412 -2.331 0 CA-C-N 110.507 -3.042 . . . . 0.0 107.68 -169.381 . . . . . . . . 1 1 . 1 . 005 ecloud nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.15 -59.3 2.44 Favored Glycine 0 C--N 1.385 3.27 0 O-C-N 127.546 3.029 . . . . 0.0 111.859 -177.828 . . . . . . . . 1 1 . 1 . 005 ecloud nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -83.34 -43.06 16.37 Favored 'General case' 0 CA--C 1.498 -1.04 0 O-C-N 119.409 -2.23 . . . . 0.0 113.268 -172.917 . . . . . . . . 1 1 . 1 . 005 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.5 mt -81.74 -39.26 24.46 Favored 'General case' 0 C--N 1.363 1.19 0 N-CA-C 116.791 2.145 . . . . 0.0 116.791 -179.585 . . . . . . . . 1 1 . 1 . 005 ecloud nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.66 -82.78 0.46 Allowed Glycine 0 N--CA 1.425 -2.06 0 C-N-CA 129.159 3.266 . . . . 0.0 113.833 175.821 . . . . . . . . 1 1 . 1 . 005 ecloud nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . 0.304 . . -50.13 -60.08 3.3 Favored 'General case' 1 N--CA 1.377 -4.084 1 C-N-CA 132.818 4.447 . . . . 0.0 111.25 -172.483 . . . . . . . . 4 2 . 1 . 005 ecloud nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.83 -68.75 0.51 Allowed 'General case' 0 C--N 1.376 1.722 0 CA-C-N 111.796 -2.457 . . . . 0.0 114.983 -177.528 . . . . . . . . 1 1 . 1 . 005 ecloud nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 132.07 53.6 0.09 OUTLIER Glycine 0 C--N 1.387 3.391 1 O-C-N 114.717 -4.989 . . . . 0.0 113.807 159.596 . . . . . . . . 2 2 . 1 . 005 ecloud nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.8 t -91.45 144.9 25.09 Favored 'General case' 0 C--N 1.38 1.914 0 C-N-CA 118.276 -1.369 . . . . 0.0 110.631 162.682 . . . . . . . . 1 1 . 1 . 005 ecloud nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 63.5 m -73.08 126.58 30.34 Favored 'General case' 0 N--CA 1.509 2.492 0 N-CA-C 106.599 -1.63 . . . . 0.0 106.599 -179.445 . . . . . . . . 1 1 . 1 . 005 ecloud nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 25.7 ttt -84.72 -52.48 6.04 Favored 'General case' 0 CA--C 1.486 -1.506 0 C-N-CA 126.061 1.744 . . . . 0.0 114.165 159.827 . . . . . . . . 1 1 . 1 . 005 ecloud nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -177.08 -174.76 43.79 Favored Glycine 0 C--N 1.373 2.617 0 O-C-N 119.696 -1.878 . . . . 0.0 111.406 176.985 . . . . . . . . 1 1 . 1 . 005 ecloud nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.1 -173.57 4.54 Favored 'General case' 0 CA--C 1.48 -1.745 0 CA-C-O 115.378 -2.249 . . . . 0.0 112.899 176.576 . . . . . . . . 1 1 . 1 . 005 ecloud nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.5 mtp180 -97.21 -82.71 0.4 Allowed 'General case' 0 C--N 1.364 1.227 0 N-CA-C 121.187 3.773 . . . . 0.0 121.187 167.093 . . . . . . . . 1 1 . 1 . 005 ecloud nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.7 p -87.89 -75.66 0.41 Allowed 'General case' 0 N--CA 1.501 2.102 0 CA-C-O 123.467 1.603 . . . . 0.0 109.897 -178.555 . . . . . . . . 1 1 . 1 . 005 ecloud nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.369 1.451 0 O-C-N 120.615 -1.303 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 ecloud nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.452 -2.82 0 CA-C-O 124.536 2.112 . . . . 0.0 107.497 . . . . . . . . . 0 0 . 1 . 006 ecloud nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.0 m -93.68 135.23 28.79 Favored 'Isoleucine or valine' 0 CA--C 1.476 -1.902 0 C-N-CA 127.751 2.42 . . . . 0.0 107.208 173.071 . . . . . . . . 1 1 . 1 . 006 ecloud nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.04 93.04 0.85 Allowed Glycine 0 C--N 1.35 1.346 0 O-C-N 119.267 -2.146 . . . . 0.0 117.902 172.522 . . . . . . . . 1 1 . 1 . 006 ecloud nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 16.3 mm -53.92 -63.24 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.285 -2.196 0 CA-C-O 115.076 -2.392 . . . . 0.0 116.655 172.089 . . . . . . . . 1 1 . 1 . 006 ecloud nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -62.34 -40.07 98.57 Favored Glycine 0 C--N 1.358 1.784 0 CA-C-O 127.452 3.807 . . . . 0.0 116.089 171.856 . . . . . . . . 1 1 . 1 . 006 ecloud nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -41.39 -48.45 3.74 Favored 'General case' 0 C--N 1.375 1.702 0 O-C-N 116.828 -3.748 . . . . 0.0 116.818 169.014 . . . . . . . . 1 1 . 1 . 006 ecloud nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.331 25.9 tp -84.86 -53.11 5.55 Favored 'General case' 0 CA--C 1.593 2.613 0 CA-C-O 121.7 0.762 . . . . 0.0 110.716 177.151 . . . . . . . . 2 2 . 1 . 006 ecloud nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -70.12 -46.48 64.71 Favored 'General case' 0 N--CA 1.422 -1.874 0 O-C-N 119.628 -1.92 . . . . 0.0 113.293 -168.363 . . . . . . . . 1 1 . 1 . 006 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.7 mt -82.89 -50.14 8.92 Favored 'General case' 0 C--N 1.39 2.331 0 C-N-CA 128.802 2.841 . . . . 0.0 114.932 178.175 . . . . . . . . 1 1 . 1 . 006 ecloud nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.66 -70.55 0.93 Allowed Glycine 1 C--N 1.404 4.345 0 C-N-CA 127.856 2.646 . . . . 0.0 114.676 171.372 . . . . . . . . 2 2 . 1 . 006 ecloud nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -84.65 -53.49 5.35 Favored 'General case' 0 CA--C 1.5 -0.947 0 N-CA-C 120.099 3.37 . . . . 0.0 120.099 -165.65 . . . . . . . . 1 1 . 1 . 006 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.8 mt -70.79 -56.08 7.14 Favored 'General case' 0 N--CA 1.408 -2.529 0 CA-C-O 124.32 2.01 . . . . 0.0 110.261 172.293 . . . . . . . . 1 1 . 1 . 006 ecloud nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.0 -88.76 0.02 OUTLIER Glycine 0 CA--C 1.558 2.746 1 O-C-N 115.328 -4.607 . . . . 0.0 116.192 171.288 . . . . . . . . 2 2 . 1 . 006 ecloud nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.74 -59.05 5.06 Favored 'General case' 0 CA--C 1.582 2.185 0 CA-C-N 119.03 1.415 . . . . 0.0 113.949 -166.203 . . . . . . . . 1 1 . 1 . 006 ecloud nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.28 -60.66 2.95 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 116.712 2.115 . . . . 0.0 116.712 170.617 . . . . . . . . 1 1 . 1 . 006 ecloud nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.5 46.45 1.67 Allowed Glycine 0 C--N 1.391 3.629 0 N-CA-C 117.536 1.774 . . . . 0.0 117.536 171.955 . . . . . . . . 1 1 . 1 . 006 ecloud nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.8 t -77.61 170.22 16.94 Favored 'General case' 0 CA--C 1.571 1.776 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 159.641 . . . . . . . . 1 1 . 1 . 006 ecloud nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.2 m -99.44 138.31 36.71 Favored 'General case' 0 C--O 1.249 1.063 0 CA-C-O 125.615 2.626 . . . . 0.0 111.121 -167.624 . . . . . . . . 1 1 . 1 . 006 ecloud nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 7.7 ttt -95.59 -64.87 1.02 Allowed 'General case' 0 C--O 1.212 -0.882 0 CA-C-N 113.005 -1.907 . . . . 0.0 109.633 176.349 . . . . . . . . 1 1 . 1 . 006 ecloud nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 178.94 -176.33 47.9 Favored Glycine 0 C--N 1.284 -2.31 1 C-N-CA 131.373 4.32 . . . . 0.0 112.39 -168.912 . . . . . . . . 2 2 . 1 . 006 ecloud nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -161.35 160.41 29.56 Favored 'General case' 0 C--N 1.369 1.441 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 -179.794 . . . . . . . . 1 1 . 1 . 006 ecloud nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 -78.04 -79.87 0.12 Allowed 'General case' 0 N--CA 1.502 2.15 0 C-N-CA 128.863 2.865 . . . . 0.0 111.133 178.267 . . . . . . . . 1 1 . 1 . 006 ecloud nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . 0.322 76.6 p -83.11 -56.2 3.92 Favored 'General case' 0 CA--C 1.605 3.088 0 CA-C-O 115.02 -2.419 . . . . 0.0 108.672 178.277 . . . . . . . . 2 2 . 1 . 006 ecloud nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 0.474 1 O-C-N 129.343 4.152 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 ecloud nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 0.35 . . . . . . . 0 N--CA 1.488 1.461 0 N-CA-C 117.305 2.335 . . . . 0.0 117.305 . . . . . . . . . 1 1 . 1 . 007 ecloud nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -121.43 176.77 3.89 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.225 0 CA-C-O 124.448 2.07 . . . . 0.0 113.627 173.03 . . . . . . . . 2 2 . 1 . 007 ecloud nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -95.56 82.94 0.86 Allowed Glycine 0 CA--C 1.462 -3.244 0 C-N-CA 127.584 2.516 . . . . 0.0 117.45 165.665 . . . . . . . . 1 1 . 1 . 007 ecloud nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.0 mm -59.98 -62.18 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 129.411 3.084 . . . . 0.0 110.451 174.333 . . . . . . . . 1 1 . 1 . 007 ecloud nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.0 -30.26 68.03 Favored Glycine 0 CA--C 1.463 -3.179 0 C-N-CA 116.492 -2.766 . . . . 0.0 112.126 -173.306 . . . . . . . . 1 1 . 1 . 007 ecloud nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.43 -37.05 82.11 Favored 'General case' 0 C--N 1.367 1.358 1 CA-C-O 129.145 4.307 . . . . 0.0 110.701 -175.529 . . . . . . . . 2 2 . 1 . 007 ecloud nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 52.2 tp -81.09 -71.32 0.48 Allowed 'General case' 0 C--N 1.368 1.409 0 O-C-N 118.225 -2.797 . . . . 0.0 108.495 178.297 . . . . . . . . 1 1 . 1 . 007 ecloud nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -67.71 -48.46 66.46 Favored 'General case' 0 N--CA 1.534 3.734 0 O-C-N 118.255 -2.778 . . . . 0.0 110.486 -168.826 . . . . . . . . 1 1 . 1 . 007 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.7 mt -90.58 -31.73 16.58 Favored 'General case' 0 N--CA 1.398 -3.044 1 O-C-N 113.114 -5.991 . . . . 0.0 109.511 -173.072 . . . . . . . . 2 2 . 1 . 007 ecloud nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.81 -74.15 1.28 Allowed Glycine 0 C--N 1.38 3.005 0 CA-C-N 118.676 0.671 . . . . 0.0 113.844 173.965 . . . . . . . . 1 1 . 1 . 007 ecloud nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -74.64 -39.18 62.24 Favored 'General case' 0 CA--C 1.577 1.986 0 O-C-N 117.577 -3.307 . . . . 0.0 107.106 -157.162 . . . . . . . . 1 1 . 1 . 007 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.3 mt -83.76 -47.18 11.43 Favored 'General case' 0 N--CA 1.408 -2.534 0 CA-C-N 114.109 -1.405 . . . . 0.0 112.064 -178.413 . . . . . . . . 1 1 . 1 . 007 ecloud nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.37 -84.91 0.1 OUTLIER Glycine 1 CA--C 1.437 -4.842 0 CA-C-O 126.917 3.509 . . . . 0.0 115.247 -176.67 . . . . . . . . 2 2 . 1 . 007 ecloud nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.06 -32.78 44.94 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 117.407 -3.408 . . . . 0.0 112.338 -169.161 . . . . . . . . 1 1 . 1 . 007 ecloud nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.37 -66.68 0.59 Allowed 'General case' 0 C--O 1.195 -1.795 0 CA-C-O 123.561 1.648 . . . . 0.0 113.18 175.477 . . . . . . . . 1 1 . 1 . 007 ecloud nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.76 47.85 0.24 Allowed Glycine 0 C--N 1.38 3.007 0 O-C-N 117.17 -3.457 . . . . 0.0 112.162 161.382 . . . . . . . . 1 1 . 1 . 007 ecloud nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.8 m -84.96 153.7 22.63 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 113.803 -3.159 . . . . 0.0 106.569 174.634 . . . . . . . . 1 1 . 1 . 007 ecloud nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . 0.264 62.6 m -60.04 122.28 13.95 Favored 'General case' 0 N--CA 1.416 -2.16 0 O-C-N 117.46 -3.275 . . . . 0.0 114.344 -178.11 . . . . . . . . 2 2 . 1 . 007 ecloud nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 6.0 ttt -103.44 -95.36 0.31 Allowed 'General case' 0 CA--C 1.459 -2.525 0 C-N-CA 126.435 1.894 . . . . 0.0 108.477 -174.164 . . . . . . . . 1 1 . 1 . 007 ecloud nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -144.57 117.27 1.02 Allowed Glycine 0 C--O 1.187 -2.819 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 173.155 . . . . . . . . 1 1 . 1 . 007 ecloud nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.07 158.05 15.77 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-N 121.352 2.576 . . . . 0.0 106.702 179.381 . . . . . . . . 1 1 . 1 . 007 ecloud nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -83.95 -96.63 0.06 Allowed 'General case' 0 N--CA 1.497 1.909 0 O-C-N 126.333 2.27 . . . . 0.0 112.359 178.341 . . . . . . . . 1 1 . 1 . 007 ecloud nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . 0.251 29.5 p -65.28 -22.81 66.89 Favored 'General case' 0 C--N 1.39 2.339 0 N-CA-C 118.902 2.927 . . . . 0.0 118.902 -179.387 . . . . . . . . 2 2 . 1 . 007 ecloud nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 113.617 -1.628 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 ecloud nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.411 -2.392 0 N-CA-C 115.677 1.732 . . . . 0.0 115.677 . . . . . . . . . 0 0 . 1 . 008 ecloud nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.9 m -135.86 164.42 32.28 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.974 0 O-C-N 118.44 -2.663 . . . . 0.0 110.409 178.729 . . . . . . . . 1 1 . 1 . 008 ecloud nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.88 77.66 1.77 Allowed Glycine 0 N--CA 1.486 1.989 0 C-N-CA 127.028 2.251 . . . . 0.0 112.462 -169.177 . . . . . . . . 1 1 . 1 . 008 ecloud nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 36.8 mm -63.55 -54.2 35.43 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.339 0 O-C-N 118.037 -3.037 . . . . 0.0 107.495 179.963 . . . . . . . . 1 1 . 1 . 008 ecloud nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.11 -34.88 50.93 Favored Glycine 0 C--N 1.394 3.782 0 CA-C-O 117.758 -1.579 . . . . 0.0 112.035 -178.652 . . . . . . . . 1 1 . 1 . 008 ecloud nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -46.78 -39.23 11.4 Favored 'General case' 0 CA--C 1.594 2.669 0 CA-C-N 119.778 1.789 . . . . 0.0 115.6 162.83 . . . . . . . . 1 1 . 1 . 008 ecloud nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 19.7 tp -78.12 -58.32 3.32 Favored 'General case' 0 N--CA 1.404 -2.762 0 CA-C-O 124.312 2.006 . . . . 0.0 109.846 177.908 . . . . . . . . 1 1 . 1 . 008 ecloud nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.288 15.2 m-85 -65.29 -59.22 4.29 Favored 'General case' 0 CA--C 1.552 1.056 0 O-C-N 117.39 -3.319 . . . . 0.0 111.439 -168.557 . . . . . . . . 2 2 . 1 . 008 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 84.5 mt -79.46 -39.99 30.91 Favored 'General case' 0 N--CA 1.439 -1.022 1 O-C-N 115.477 -4.514 . . . . 0.0 114.141 -179.165 . . . . . . . . 2 2 . 1 . 008 ecloud nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.68 -72.94 1.02 Allowed Glycine 1 C--N 1.418 5.121 0 N-CA-C 117.389 1.716 . . . . 0.0 117.389 179.855 . . . . . . . . 2 2 . 1 . 008 ecloud nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -71.9 -51.48 22.03 Favored 'General case' 0 C--N 1.362 1.143 0 C-N-CA 127.153 2.181 . . . . 0.0 109.001 -165.495 . . . . . . . . 1 1 . 1 . 008 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.536 HD22 ' HB2' ' A' ' 19' ' ' MET . 78.2 mt -57.9 -81.92 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.745 0 O-C-N 119.632 -1.917 . . . . 0.0 114.871 166.006 . . . . . . . . 2 2 . 1 . 008 ecloud nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -43.38 -65.27 1.54 Allowed Glycine 0 C--N 1.387 3.368 1 N-CA-C 123.748 4.259 . . . . 0.0 123.748 178.354 . . . . . . . . 2 2 . 1 . 008 ecloud nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.78 -57.06 4.68 Favored 'General case' 0 C--N 1.364 1.203 0 O-C-N 116.809 -3.759 . . . . 0.0 115.181 178.501 . . . . . . . . 1 1 . 1 . 008 ecloud nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . 0.267 . . -62.66 -88.43 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.513 0 O-C-N 120.444 -1.41 . . . . 0.0 113.693 -178.624 . . . . . . . . 2 2 . 1 . 008 ecloud nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 165.78 -2.03 0.05 OUTLIER Glycine 0 C--O 1.203 -1.831 1 C-N-CA 112.796 -4.526 . . . . 0.0 113.302 -162.523 . . . . . . . . 2 2 . 1 . 008 ecloud nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.9 m -81.03 126.19 31.11 Favored 'General case' 0 C--O 1.167 -3.289 0 CA-C-N 118.431 1.116 . . . . 0.0 113.501 -171.551 . . . . . . . . 1 1 . 1 . 008 ecloud nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 85.2 m -60.17 117.61 5.35 Favored 'General case' 0 C--O 1.268 2.057 0 N-CA-C 115.871 1.804 . . . . 0.0 115.871 -178.704 . . . . . . . . 1 1 . 1 . 008 ecloud nobuild full ' A' A ' 19' ' ' MET . . . . . 0.536 ' HB2' HD22 ' A' ' 12' ' ' LEU . 40.5 ttp -84.62 -47.34 10.62 Favored 'General case' 0 C--O 1.244 0.764 0 O-C-N 119.104 -2.248 . . . . 0.0 108.754 163.367 . . . . . . . . 2 2 . 1 . 008 ecloud nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -160.71 168.64 36.2 Favored Glycine 0 C--O 1.265 2.053 0 CA-C-O 114.573 -3.349 . . . . 0.0 113.634 170.743 . . . . . . . . 1 1 . 1 . 008 ecloud nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.67 161.45 29.64 Favored 'General case' 0 CA--C 1.493 -1.222 0 CA-C-O 125.109 2.385 . . . . 0.0 106.265 173.176 . . . . . . . . 1 1 . 1 . 008 ecloud nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . 0.291 35.8 mtp180 -94.7 -137.81 0.22 Allowed 'General case' 0 CA--C 1.582 2.183 0 CA-C-N 111.894 -2.412 . . . . 0.0 113.838 173.31 . . . . . . . . 2 2 . 1 . 008 ecloud nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 88.3 p -68.27 -41.0 81.71 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 -170.669 . . . . . . . . 1 1 . 1 . 008 ecloud nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.366 1.309 0 O-C-N 121.457 -0.777 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 ecloud nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.518 2.974 0 CA-C-O 118.621 -0.705 . . . . 0.0 112.722 . . . . . . . . . 0 0 . 1 . 009 ecloud nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.2 m -94.28 -177.82 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.391 2.398 0 C-N-CA 127.198 2.199 . . . . 0.0 115.393 176.414 . . . . . . . . 1 1 . 1 . 009 ecloud nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -97.99 86.57 0.8 Allowed Glycine 0 C--N 1.365 2.192 0 CA-C-O 125.457 2.698 . . . . 0.0 116.245 -175.021 . . . . . . . . 1 1 . 1 . 009 ecloud nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . 0.348 6.7 mm -62.83 -36.59 76.17 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.075 0 O-C-N 120.258 -1.73 . . . . 0.0 115.395 -176.155 . . . . . . . . 2 2 . 1 . 009 ecloud nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -82.36 -31.41 30.94 Favored Glycine 0 CA--C 1.454 -3.778 0 CA-C-N 112.414 -2.175 . . . . 0.0 116.054 177.036 . . . . . . . . 1 1 . 1 . 009 ecloud nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . 0.257 . . -60.41 -31.99 70.91 Favored 'General case' 0 C--O 1.197 -1.674 0 N-CA-C 117.958 2.577 . . . . 0.0 117.958 161.547 . . . . . . . . 2 2 . 1 . 009 ecloud nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 27.8 tp -73.33 -73.5 0.21 Allowed 'General case' 0 C--N 1.361 1.096 0 CA-C-O 124.423 2.059 . . . . 0.0 107.801 173.295 . . . . . . . . 1 1 . 1 . 009 ecloud nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -64.42 -62.11 1.8 Allowed 'General case' 0 C--N 1.408 3.132 0 N-CA-C 117.731 2.493 . . . . 0.0 117.731 -169.024 . . . . . . . . 1 1 . 1 . 009 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 43.2 mt -77.17 -33.13 56.57 Favored 'General case' 0 C--N 1.364 1.206 0 N-CA-C 117.356 2.354 . . . . 0.0 117.356 -176.607 . . . . . . . . 1 1 . 1 . 009 ecloud nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.27 -74.97 1.24 Allowed Glycine 1 N--CA 1.378 -5.229 0 O-C-N 126.287 2.242 . . . . 0.0 117.017 175.446 . . . . . . . . 2 2 . 1 . 009 ecloud nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -58.22 -48.98 78.67 Favored 'General case' 0 N--CA 1.498 1.942 0 CA-C-N 122.59 3.195 . . . . 0.0 113.88 -178.5 . . . . . . . . 1 1 . 1 . 009 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.4 mt -84.57 -65.66 0.98 Allowed 'General case' 0 C--N 1.398 2.687 0 N-CA-C 104.972 -2.232 . . . . 0.0 104.972 -174.141 . . . . . . . . 1 1 . 1 . 009 ecloud nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.8 -66.81 2.57 Favored Glycine 0 CA--C 1.556 2.645 1 N-CA-C 126.607 5.403 . . . . 0.0 126.607 -176.042 . . . . . . . . 2 2 . 1 . 009 ecloud nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.26 -44.66 16.03 Favored 'General case' 0 CA--C 1.576 1.97 0 O-C-N 119.556 -2.143 . . . . 0.0 111.077 -175.379 . . . . . . . . 1 1 . 1 . 009 ecloud nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.33 -50.34 22.59 Favored 'General case' 0 N--CA 1.393 -3.3 0 CA-C-O 122.861 1.315 . . . . 0.0 111.215 -174.787 . . . . . . . . 1 1 . 1 . 009 ecloud nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 111.04 50.13 0.64 Allowed Glycine 0 CA--C 1.464 -3.105 0 O-C-N 118.307 -2.746 . . . . 0.0 115.751 166.862 . . . . . . . . 1 1 . 1 . 009 ecloud nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.3 m -68.52 146.61 52.96 Favored 'General case' 0 C--O 1.209 -1.056 0 CA-C-N 123.27 3.535 . . . . 0.0 110.603 167.512 . . . . . . . . 1 1 . 1 . 009 ecloud nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 43.9 m -102.84 123.28 46.2 Favored 'General case' 0 CA--C 1.581 2.151 0 N-CA-C 102.296 -3.224 . . . . 0.0 102.296 -178.925 . . . . . . . . 1 1 . 1 . 009 ecloud nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.8 ttp -88.61 -58.4 2.57 Favored 'General case' 0 N--CA 1.403 -2.817 1 C-N-CA 132.66 4.384 . . . . 0.0 113.198 -172.581 . . . . . . . . 2 2 . 1 . 009 ecloud nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -177.15 146.38 7.74 Favored Glycine 0 C--N 1.378 2.864 0 O-C-N 118.487 -2.633 . . . . 0.0 107.896 -165.753 . . . . . . . . 1 1 . 1 . 009 ecloud nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.78 152.76 33.7 Favored 'General case' 0 C--O 1.199 -1.565 0 CA-C-O 124.775 2.226 . . . . 0.0 111.428 174.928 . . . . . . . . 1 1 . 1 . 009 ecloud nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 64.3 mtp180 -81.08 -106.06 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 128.724 2.81 . . . . 0.0 107.222 176.819 . . . . . . . . 1 1 . 1 . 009 ecloud nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 95.2 p -77.45 18.67 0.4 Allowed 'General case' 0 C--O 1.277 2.524 0 CA-C-O 124.542 2.115 . . . . 0.0 113.549 173.388 . . . . . . . . 1 1 . 1 . 009 ecloud nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.367 1.351 1 O-C-N 114.64 -5.037 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 ecloud nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.491 -1.323 0 CA-C-O 120.935 0.397 . . . . 0.0 110.074 . . . . . . . . . 0 0 . 1 . 010 ecloud nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.2 m -119.25 165.24 14.77 Favored 'Isoleucine or valine' 0 CA--C 1.465 -2.319 0 O-C-N 118.508 -2.62 . . . . 0.0 106.918 178.916 . . . . . . . . 1 1 . 1 . 010 ecloud nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -96.77 96.26 1.86 Allowed Glycine 1 C--N 1.406 4.472 0 N-CA-C 109.334 -1.506 . . . . 0.0 109.334 -163.83 . . . . . . . . 2 2 . 1 . 010 ecloud nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.0 mm -71.42 -43.92 72.31 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.642 0 C-N-CA 123.994 0.918 . . . . 0.0 110.087 -174.587 . . . . . . . . 1 1 . 1 . 010 ecloud nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -51.38 -53.04 29.96 Favored Glycine 1 CA--C 1.58 4.126 0 O-C-N 118.417 -2.677 . . . . 0.0 112.244 165.97 . . . . . . . . 2 2 . 1 . 010 ecloud nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.25 -46.96 82.55 Favored 'General case' 0 C--N 1.402 2.89 0 O-C-N 127.723 2.661 . . . . 0.0 115.906 -176.014 . . . . . . . . 1 1 . 1 . 010 ecloud nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 15.7 tp -61.71 -70.0 0.21 Allowed 'General case' 0 C--N 1.415 3.424 0 O-C-N 118.652 -2.53 . . . . 0.0 115.783 167.269 . . . . . . . . 1 1 . 1 . 010 ecloud nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.436 ' HA ' HD12 ' A' ' 12' ' ' LEU . 56.7 m-85 -85.05 -38.95 18.56 Favored 'General case' 0 C--O 1.251 1.165 0 O-C-N 117.71 -3.119 . . . . 0.0 114.19 -155.334 . . . . . . . . 2 2 . 1 . 010 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 tt -83.31 -61.68 1.79 Allowed 'General case' 0 N--CA 1.437 -1.109 0 O-C-N 119.869 -1.769 . . . . 0.0 110.444 171.753 . . . . . . . . 1 1 . 1 . 010 ecloud nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.31 -61.66 4.1 Favored Glycine 0 N--CA 1.479 1.54 0 CA-C-N 120.929 1.695 . . . . 0.0 110.012 -170.816 . . . . . . . . 1 1 . 1 . 010 ecloud nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -69.61 -55.01 11.27 Favored 'General case' 0 CA--C 1.594 2.658 0 CA-C-N 121.485 2.642 . . . . 0.0 112.162 -175.284 . . . . . . . . 1 1 . 1 . 010 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 8' ' ' PHE . 88.9 mt -63.72 -38.93 92.97 Favored 'General case' 0 C--O 1.275 2.433 0 O-C-N 117.527 -3.233 . . . . 0.0 119.318 -177.358 . . . . . . . . 2 2 . 1 . 010 ecloud nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.53 -49.1 0.53 Allowed Glycine 1 C--N 1.413 4.84 0 CA-C-O 115.136 -3.035 . . . . 0.0 112.279 -170.423 . . . . . . . . 2 2 . 1 . 010 ecloud nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.3 -52.19 24.72 Favored 'General case' 0 N--CA 1.42 -1.946 1 CA-C-N 125.025 4.412 . . . . 0.0 112.937 179.321 . . . . . . . . 2 2 . 1 . 010 ecloud nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.33 -57.25 3.8 Favored 'General case' 0 C--O 1.191 -2.001 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -177.984 . . . . . . . . 1 1 . 1 . 010 ecloud nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 131.88 38.42 0.26 Allowed Glycine 1 CA--C 1.449 -4.034 0 O-C-N 126.043 2.089 . . . . 0.0 113.799 148.837 . . . . . . . . 2 2 . 1 . 010 ecloud nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.0 m -79.88 161.77 25.39 Favored 'General case' 0 C--N 1.374 1.674 0 O-C-N 118.647 -2.678 . . . . 0.0 113.642 -178.256 . . . . . . . . 1 1 . 1 . 010 ecloud nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.1 m -96.54 116.73 29.57 Favored 'General case' 0 CA--C 1.492 -1.27 0 CA-C-O 126.357 2.98 . . . . 0.0 109.284 -168.274 . . . . . . . . 1 1 . 1 . 010 ecloud nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 45.7 ttp -78.01 -54.94 5.72 Favored 'General case' 0 CA--C 1.452 -2.812 0 O-C-N 117.454 -3.279 . . . . 0.0 105.061 170.334 . . . . . . . . 1 1 . 1 . 010 ecloud nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -179.42 173.36 45.3 Favored Glycine 0 CA--C 1.48 -2.136 0 O-C-N 117.853 -3.029 . . . . 0.0 105.627 170.535 . . . . . . . . 1 1 . 1 . 010 ecloud nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.57 172.14 6.95 Favored 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 162.973 . . . . . . . . 1 1 . 1 . 010 ecloud nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -93.28 -70.37 0.7 Allowed 'General case' 0 N--CA 1.435 -1.184 0 C-N-CA 126.615 1.966 . . . . 0.0 106.57 -178.089 . . . . . . . . 1 1 . 1 . 010 ecloud nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.2 p -83.48 -47.65 11.13 Favored 'General case' 0 CA--C 1.599 2.847 0 N-CA-C 116.493 2.034 . . . . 0.0 116.493 171.786 . . . . . . . . 1 1 . 1 . 010 ecloud nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.366 1.289 0 O-C-N 121.351 -0.843 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 ecloud nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.0 0 N-CA-C 117.78 2.511 . . . . 0.0 117.78 . . . . . . . . . 0 0 . 1 . 011 ecloud nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.1 m -85.84 169.31 1.48 Allowed 'Isoleucine or valine' 0 C--O 1.261 1.697 0 CA-C-N 124.407 3.276 . . . . 0.0 110.999 162.331 . . . . . . . . 1 1 . 1 . 011 ecloud nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -79.78 85.13 1.28 Allowed Glycine 0 CA--C 1.465 -3.042 0 O-C-N 118.615 -2.553 . . . . 0.0 112.757 174.38 . . . . . . . . 1 1 . 1 . 011 ecloud nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 6.8 mm -84.87 -52.33 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.375 0 C-N-CA 128.787 2.835 . . . . 0.0 112.353 -174.641 . . . . . . . . 1 1 . 1 . 011 ecloud nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -65.34 -39.15 95.71 Favored Glycine 0 C--N 1.382 3.115 1 CA-C-O 127.86 4.033 . . . . 0.0 111.508 175.102 . . . . . . . . 2 2 . 1 . 011 ecloud nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.14 -41.9 93.68 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 131.323 3.849 . . . . 0.0 107.339 176.767 . . . . . . . . 1 1 . 1 . 011 ecloud nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 25.9 tp -63.86 -82.49 0.02 OUTLIER 'General case' 0 C--O 1.2 -1.504 0 O-C-N 118.556 -2.59 . . . . 0.0 114.441 167.682 . . . . . . . . 1 1 . 1 . 011 ecloud nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -56.75 -52.22 65.82 Favored 'General case' 0 CA--C 1.499 -0.99 1 O-C-N 115.409 -4.557 . . . . 0.0 115.147 -173.997 . . . . . . . . 2 2 . 1 . 011 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.3 mt -85.26 -34.32 21.98 Favored 'General case' 0 C--O 1.21 -1.026 0 CA-C-O 117.144 -1.408 . . . . 0.0 108.211 -169.468 . . . . . . . . 1 1 . 1 . 011 ecloud nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -83.51 -66.33 1.52 Allowed Glycine 1 N--CA 1.393 -4.191 0 CA-C-O 125.814 2.897 . . . . 0.0 115.132 178.812 . . . . . . . . 2 2 . 1 . 011 ecloud nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -71.84 -51.5 22.13 Favored 'General case' 0 N--CA 1.408 -2.554 0 O-C-N 118.277 -2.896 . . . . 0.0 112.272 -178.296 . . . . . . . . 1 1 . 1 . 011 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.416 HD22 ' HB2' ' A' ' 19' ' ' MET . 56.3 mt -88.2 -18.75 28.01 Favored 'General case' 0 C--O 1.201 -1.449 0 O-C-N 117.915 -2.991 . . . . 0.0 118.238 -173.656 . . . . . . . . 2 2 . 1 . 011 ecloud nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -109.92 -54.26 0.56 Allowed Glycine 0 C--N 1.369 2.41 0 O-C-N 119.571 -1.956 . . . . 0.0 110.209 -175.291 . . . . . . . . 1 1 . 1 . 011 ecloud nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.37 -72.21 0.06 Allowed 'General case' 0 C--N 1.366 1.301 0 O-C-N 118.743 -2.622 . . . . 0.0 117.811 172.14 . . . . . . . . 1 1 . 1 . 011 ecloud nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.41 -56.08 11.11 Favored 'General case' 0 N--CA 1.494 1.772 0 CA-C-N 112.771 -2.013 . . . . 0.0 105.954 -176.564 . . . . . . . . 1 1 . 1 . 011 ecloud nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 103.13 73.17 0.95 Allowed Glycine 0 N--CA 1.405 -3.374 0 O-C-N 118.82 -2.425 . . . . 0.0 112.746 175.609 . . . . . . . . 1 1 . 1 . 011 ecloud nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.56 154.14 20.29 Favored 'General case' 0 CA--C 1.457 -2.61 0 CA-C-O 125.168 2.413 . . . . 0.0 107.511 -177.669 . . . . . . . . 2 2 . 1 . 011 ecloud nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.8 m -70.83 109.53 5.05 Favored 'General case' 0 C--N 1.365 1.245 0 N-CA-C 117.669 2.47 . . . . 0.0 117.669 -165.594 . . . . . . . . 1 1 . 1 . 011 ecloud nobuild full ' A' A ' 19' ' ' MET . . . . . 0.416 ' HB2' HD22 ' A' ' 12' ' ' LEU . 25.0 ttt -86.14 -57.42 3.03 Favored 'General case' 0 N--CA 1.421 -1.918 0 CA-C-O 124.046 1.879 . . . . 0.0 114.358 -179.051 . . . . . . . . 2 2 . 1 . 011 ecloud nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 167.03 170.07 31.43 Favored Glycine 0 CA--C 1.486 -1.768 0 CA-C-N 113.904 -1.498 . . . . 0.0 109.919 -154.211 . . . . . . . . 1 1 . 1 . 011 ecloud nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.06 174.08 9.16 Favored 'General case' 0 N--CA 1.403 -2.782 0 CA-C-O 124.68 2.181 . . . . 0.0 110.704 179.818 . . . . . . . . 1 1 . 1 . 011 ecloud nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 38.1 mtp180 -100.09 -69.05 0.78 Allowed 'General case' 0 C--O 1.265 1.878 1 O-C-N 114.478 -5.139 . . . . 0.0 105.64 179.828 . . . . . . . . 2 2 . 1 . 011 ecloud nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 83.8 p -71.51 -34.69 70.33 Favored 'General case' 0 C--N 1.365 1.265 0 O-C-N 117.983 -2.948 . . . . 0.0 117.798 -178.889 . . . . . . . . 1 1 . 1 . 011 ecloud nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.687 0 CA-C-N 112.346 -2.206 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 ecloud nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.521 3.08 0 CA-C-O 124.188 1.947 . . . . 0.0 109.841 . . . . . . . . . 0 0 . 1 . 012 ecloud nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.8 m -89.43 -176.64 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.893 0 C-N-CA 130.305 3.442 . . . . 0.0 116.393 -177.231 . . . . . . . . 1 1 . 1 . 012 ecloud nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -93.95 72.45 1.2 Allowed Glycine 0 N--CA 1.508 3.483 0 C-N-CA 116.702 -2.666 . . . . 0.0 116.521 -167.935 . . . . . . . . 1 1 . 1 . 012 ecloud nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 25.1 mm -70.81 -64.31 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.425 -1.709 1 C-N-CA 132.373 4.269 . . . . 0.0 114.256 -172.34 . . . . . . . . 2 2 . 1 . 012 ecloud nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -57.21 -38.78 88.09 Favored Glycine 0 C--N 1.398 3.976 0 CA-C-O 126.08 3.045 . . . . 0.0 110.365 179.565 . . . . . . . . 1 1 . 1 . 012 ecloud nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.18 -33.39 73.31 Favored 'General case' 0 N--CA 1.42 -1.944 0 C-N-CA 126.157 1.783 . . . . 0.0 114.848 178.341 . . . . . . . . 1 1 . 1 . 012 ecloud nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.8 tp -71.1 -59.63 2.67 Favored 'General case' 0 N--CA 1.407 -2.597 0 O-C-N 119.289 -2.132 . . . . 0.0 114.442 165.481 . . . . . . . . 1 1 . 1 . 012 ecloud nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -72.17 -60.63 2.14 Favored 'General case' 0 C--O 1.257 1.489 0 O-C-N 119.203 -2.185 . . . . 0.0 110.471 -172.341 . . . . . . . . 1 1 . 1 . 012 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.5 mt -70.95 -67.31 0.52 Allowed 'General case' 0 C--O 1.179 -2.623 0 O-C-N 119.001 -2.312 . . . . 0.0 111.464 -177.232 . . . . . . . . 1 1 . 1 . 012 ecloud nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.85 -70.09 0.8 Allowed Glycine 0 C--O 1.277 2.806 0 C-N-CA 127.755 2.597 . . . . 0.0 114.111 -179.692 . . . . . . . . 1 1 . 1 . 012 ecloud nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -75.71 -53.28 8.79 Favored 'General case' 0 C--N 1.382 2.021 1 O-C-N 113.318 -5.813 . . . . 0.0 109.81 -169.949 . . . . . . . . 2 2 . 1 . 012 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.3 mt -84.27 -28.07 27.44 Favored 'General case' 0 C--O 1.274 2.35 0 O-C-N 116.868 -3.645 . . . . 0.0 112.617 -166.795 . . . . . . . . 1 1 . 1 . 012 ecloud nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.61 -56.71 1.31 Allowed Glycine 0 C--N 1.349 1.28 0 C-N-CA 127.184 2.326 . . . . 0.0 116.694 -175.924 . . . . . . . . 1 1 . 1 . 012 ecloud nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.38 -54.42 3.81 Favored 'General case' 0 N--CA 1.383 -3.797 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 -165.812 . . . . . . . . 1 1 . 1 . 012 ecloud nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . 0.349 . . -65.27 -71.38 0.19 Allowed 'General case' 0 CA--C 1.559 1.325 0 C-N-CA 118.706 -1.198 . . . . 0.0 110.421 174.273 . . . . . . . . 2 2 . 1 . 012 ecloud nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 137.32 26.7 0.37 Allowed Glycine 1 C--N 1.402 4.203 0 N-CA-C 120.422 2.929 . . . . 0.0 120.422 176.106 . . . . . . . . 2 2 . 1 . 012 ecloud nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.8 m -62.86 162.69 10.68 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-O 117.379 -1.296 . . . . 0.0 114.25 173.594 . . . . . . . . 1 1 . 1 . 012 ecloud nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.9 m -88.78 128.67 35.64 Favored 'General case' 0 C--N 1.4 2.798 0 CA-C-O 117.556 -1.211 . . . . 0.0 112.228 179.482 . . . . . . . . 1 1 . 1 . 012 ecloud nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 24.2 ttt -83.3 -74.98 0.34 Allowed 'General case' 0 C--N 1.274 -2.711 1 O-C-N 129.485 4.241 . . . . 0.0 111.039 171.165 . . . . . . . . 2 2 . 1 . 012 ecloud nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 170.84 161.85 22.18 Favored Glycine 0 N--CA 1.509 3.549 0 O-C-N 119.177 -2.202 . . . . 0.0 113.002 -174.332 . . . . . . . . 1 1 . 1 . 012 ecloud nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.64 145.86 30.37 Favored 'General case' 0 N--CA 1.427 -1.601 0 O-C-N 125.121 1.13 . . . . 0.0 112.743 -166.717 . . . . . . . . 1 1 . 1 . 012 ecloud nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 43.4 mtp180 -87.89 -51.85 5.61 Favored 'General case' 0 C--N 1.381 1.938 0 CA-C-O 123.738 1.732 . . . . 0.0 107.545 167.116 . . . . . . . . 1 1 . 1 . 012 ecloud nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . 0.368 17.5 p -114.21 -43.18 3.24 Favored 'General case' 0 N--CA 1.518 2.935 0 O-C-N 117.504 -3.248 . . . . 0.0 114.497 161.102 . . . . . . . . 2 2 . 1 . 012 ecloud nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.656 0 O-C-N 121.128 -0.983 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 ecloud nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.569 1.689 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 . . . . . . . . . 0 0 . 1 . 013 ecloud nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -112.78 174.88 2.23 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.736 0 CA-C-O 115.744 -2.074 . . . . 0.0 110.153 -178.77 . . . . . . . . 2 2 . 1 . 013 ecloud nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -85.98 79.5 1.86 Allowed Glycine 0 CA--C 1.547 2.09 2 C-N-CA 112.441 -4.695 . . . . 0.0 115.198 -175.606 . . . . . . . . 2 2 . 1 . 013 ecloud nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.1 mm -73.9 -64.92 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.478 -1.791 0 C-N-CA 126.584 1.954 . . . . 0.0 107.611 179.241 . . . . . . . . 1 1 . 1 . 013 ecloud nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.38 -39.64 73.59 Favored Glycine 0 CA--C 1.471 -2.69 0 C-N-CA 126.808 2.146 . . . . 0.0 114.312 179.485 . . . . . . . . 1 1 . 1 . 013 ecloud nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.6 -37.91 68.73 Favored 'General case' 0 C--O 1.26 1.655 0 CA-C-O 124.51 2.1 . . . . 0.0 116.372 168.045 . . . . . . . . 1 1 . 1 . 013 ecloud nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.9 tp -82.74 -59.15 2.6 Favored 'General case' 0 C--N 1.392 2.435 0 O-C-N 117.089 -3.507 . . . . 0.0 110.318 179.899 . . . . . . . . 1 1 . 1 . 013 ecloud nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.293 11.0 m-85 -76.06 -36.9 58.83 Favored 'General case' 0 CA--C 1.603 3.009 0 O-C-N 117.407 -3.308 . . . . 0.0 112.552 -170.168 . . . . . . . . 2 2 . 1 . 013 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.9 mt -96.52 -48.61 5.47 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-O 117.323 -1.322 . . . . 0.0 108.894 -179.425 . . . . . . . . 1 1 . 1 . 013 ecloud nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.11 -60.76 2.21 Favored Glycine 0 N--CA 1.423 -2.221 0 CA-C-N 123.131 2.696 . . . . 0.0 117.873 -170.815 . . . . . . . . 1 1 . 1 . 013 ecloud nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . 0.305 55.4 t80 -56.85 -60.42 3.59 Favored 'General case' 0 N--CA 1.521 3.085 0 CA-C-N 111.754 -2.223 . . . . 0.0 114.678 176.693 . . . . . . . . 2 2 . 1 . 013 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 35.8 mt -79.79 -34.57 39.56 Favored 'General case' 0 CA--C 1.575 1.916 0 C-N-CA 124.695 1.198 . . . . 0.0 112.452 -178.344 . . . . . . . . 1 1 . 1 . 013 ecloud nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.08 -73.07 1.28 Allowed Glycine 0 C--O 1.27 2.348 0 CA-C-O 119.289 -0.728 . . . . 0.0 112.733 -177.274 . . . . . . . . 1 1 . 1 . 013 ecloud nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.66 -62.27 1.45 Allowed 'General case' 0 N--CA 1.419 -2.023 0 C-N-CA 128.352 2.661 . . . . 0.0 111.277 -167.937 . . . . . . . . 1 1 . 1 . 013 ecloud nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.43 -20.93 63.78 Favored 'General case' 0 C--O 1.212 -0.9 0 CA-C-O 115.396 -2.24 . . . . 0.0 113.841 -179.572 . . . . . . . . 1 1 . 1 . 013 ecloud nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.82 34.24 13.75 Favored Glycine 0 CA--C 1.461 -3.299 0 CA-C-N 120.513 1.506 . . . . 0.0 115.361 167.777 . . . . . . . . 1 1 . 1 . 013 ecloud nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.8 m -59.54 132.41 53.89 Favored 'General case' 0 CA--C 1.468 -2.192 0 O-C-N 118.993 -2.474 . . . . 0.0 108.883 167.11 . . . . . . . . 1 1 . 1 . 013 ecloud nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 89.1 m -73.88 110.72 8.39 Favored 'General case' 0 CA--C 1.494 -1.209 0 CA-C-N 113.369 -1.742 . . . . 0.0 110.98 -179.02 . . . . . . . . 1 1 . 1 . 013 ecloud nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 10.9 ttt -75.01 -59.24 2.82 Favored 'General case' 0 C--O 1.267 1.977 1 O-C-N 115.744 -4.347 . . . . 0.0 115.583 -175.367 . . . . . . . . 2 2 . 1 . 013 ecloud nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -170.48 -179.56 41.96 Favored Glycine 0 N--CA 1.488 2.105 0 C-N-CA 117.966 -2.064 . . . . 0.0 108.054 -174.938 . . . . . . . . 1 1 . 1 . 013 ecloud nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.19 133.28 55.71 Favored 'General case' 0 N--CA 1.439 -1.016 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 167.211 . . . . . . . . 1 1 . 1 . 013 ecloud nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 -66.75 -62.04 1.65 Allowed 'General case' 0 CA--C 1.444 -3.127 0 C-N-CA 127.882 2.473 . . . . 0.0 110.724 166.405 . . . . . . . . 1 1 . 1 . 013 ecloud nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . 0.386 25.1 p -80.79 -52.65 7.26 Favored 'General case' 0 C--N 1.268 -2.966 0 CA-C-O 122.456 1.122 . . . . 0.0 111.806 179.751 . . . . . . . . 2 2 . 1 . 013 ecloud nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.38 1.907 0 O-C-N 117.683 -3.136 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 ecloud nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.53 3.55 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 . . . . . . . . . 0 0 . 1 . 014 ecloud nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.0 m -102.38 169.2 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.378 1.816 0 CA-C-N 122.723 2.511 . . . . 0.0 112.916 171.177 . . . . . . . . 1 1 . 1 . 014 ecloud nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -100.0 84.23 0.59 Allowed Glycine 0 N--CA 1.407 -3.254 0 CA-C-O 117.426 -1.763 . . . . 0.0 112.119 -157.939 . . . . . . . . 1 1 . 1 . 014 ecloud nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.8 mm -69.16 -40.94 81.13 Favored 'Isoleucine or valine' 0 C--N 1.38 1.906 0 O-C-N 129.826 3.898 . . . . 0.0 119.75 165.662 . . . . . . . . 1 1 . 1 . 014 ecloud nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.83 -54.26 5.45 Favored Glycine 0 N--CA 1.502 3.09 0 C-N-CA 129.605 3.478 . . . . 0.0 108.744 -173.427 . . . . . . . . 1 1 . 1 . 014 ecloud nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.48 -37.3 72.69 Favored 'General case' 0 CA--C 1.463 -2.396 0 N-CA-C 115.254 1.576 . . . . 0.0 115.254 -175.431 . . . . . . . . 1 1 . 1 . 014 ecloud nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 21.7 tp -78.0 -52.46 8.76 Favored 'General case' 0 C--N 1.399 2.76 0 C-N-CA 126.905 2.082 . . . . 0.0 109.144 -175.894 . . . . . . . . 1 1 . 1 . 014 ecloud nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -86.6 -31.96 20.88 Favored 'General case' 0 N--CA 1.433 -1.297 0 CA-C-O 115.933 -1.984 . . . . 0.0 114.9 -176.448 . . . . . . . . 1 1 . 1 . 014 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 67.7 mt -82.89 -49.46 9.63 Favored 'General case' 1 C--N 1.446 4.768 1 CA-C-N 126.954 4.434 . . . . 0.0 105.742 -177.455 . . . . . . . . 3 2 . 1 . 014 ecloud nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -90.37 -55.41 1.95 Allowed Glycine 0 C--N 1.364 2.127 0 C-N-CA 125.237 1.399 . . . . 0.0 112.105 -162.675 . . . . . . . . 1 1 . 1 . 014 ecloud nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -80.4 -59.49 2.68 Favored 'General case' 0 CA--C 1.586 2.36 0 CA-C-O 117.703 -1.141 . . . . 0.0 111.597 -172.553 . . . . . . . . 1 1 . 1 . 014 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.0 mt -69.86 -50.35 43.49 Favored 'General case' 0 CA--C 1.575 1.942 0 CA-C-O 122.996 1.379 . . . . 0.0 110.083 172.717 . . . . . . . . 1 1 . 1 . 014 ecloud nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.04 -57.46 4.8 Favored Glycine 0 CA--C 1.576 3.847 1 O-C-N 115.089 -4.757 . . . . 0.0 112.508 -168.032 . . . . . . . . 2 2 . 1 . 014 ecloud nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.32 -51.56 6.49 Favored 'General case' 0 N--CA 1.414 -2.233 0 N-CA-C 116.029 1.862 . . . . 0.0 116.029 -176.164 . . . . . . . . 1 1 . 1 . 014 ecloud nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . 0.384 . . -58.46 -40.01 81.48 Favored 'General case' 0 N--CA 1.428 -1.556 0 N-CA-C 117.352 2.353 . . . . 0.0 117.352 170.238 . . . . . . . . 2 2 . 1 . 014 ecloud nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.14 53.63 2.78 Favored Glycine 1 CA--C 1.45 -4.008 0 O-C-N 118.873 -2.392 . . . . 0.0 116.466 170.052 . . . . . . . . 2 2 . 1 . 014 ecloud nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.1 m -99.27 147.9 24.7 Favored 'General case' 0 CA--C 1.578 2.041 0 CA-C-O 124.881 2.277 . . . . 0.0 108.316 166.389 . . . . . . . . 1 1 . 1 . 014 ecloud nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 88.3 m -63.68 121.08 13.07 Favored 'General case' 0 CA--C 1.583 2.23 0 O-C-N 119.314 -2.116 . . . . 0.0 113.547 -178.447 . . . . . . . . 1 1 . 1 . 014 ecloud nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 7.0 ttp -91.76 -38.17 12.54 Favored 'General case' 0 CA--C 1.496 -1.102 0 CA-C-N 112.382 -2.19 . . . . 0.0 115.338 -176.506 . . . . . . . . 1 1 . 1 . 014 ecloud nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 172.59 -178.58 44.6 Favored Glycine 0 C--N 1.398 3.987 1 N-CA-C 97.115 -6.394 . . . . 0.0 97.115 170.153 . . . . . . . . 2 2 . 1 . 014 ecloud nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -145.92 137.81 25.16 Favored 'General case' 0 CA--C 1.501 -0.909 0 C-N-CA 126.131 1.773 . . . . 0.0 109.771 -177.844 . . . . . . . . 1 1 . 1 . 014 ecloud nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 22.0 mtp180 -73.56 -34.12 65.0 Favored 'General case' 0 N--CA 1.401 -2.896 0 O-C-N 126.582 2.427 . . . . 0.0 114.765 -169.239 . . . . . . . . 1 1 . 1 . 014 ecloud nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . 0.299 25.9 p -112.27 -47.96 3.06 Favored 'General case' 0 CA--C 1.583 2.216 0 N-CA-C 116.627 2.084 . . . . 0.0 116.627 178.85 . . . . . . . . 2 2 . 1 . 014 ecloud nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 0.889 0 O-C-N 118.319 -2.738 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 ecloud nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.532 3.671 0 CA-C-O 117.935 -1.031 . . . . 0.0 109.94 . . . . . . . . . 0 0 . 1 . 015 ecloud nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 16.8 m -74.54 -178.7 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.371 1.506 0 CA-C-N 120.327 1.421 . . . . 0.0 112.28 161.849 . . . . . . . . 1 1 . 1 . 015 ecloud nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -105.33 67.87 0.26 Allowed Glycine 0 CA--C 1.461 -3.341 0 N-CA-C 118.718 2.247 . . . . 0.0 118.718 -166.778 . . . . . . . . 1 1 . 1 . 015 ecloud nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 38.4 mm -65.17 -50.84 71.84 Favored 'Isoleucine or valine' 0 N--CA 1.387 -3.614 0 CA-C-O 123.585 1.66 . . . . 0.0 114.512 -168.465 . . . . . . . . 1 1 . 1 . 015 ecloud nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -67.94 -42.87 84.63 Favored Glycine 1 N--CA 1.379 -5.107 0 CA-C-N 111.307 -2.679 . . . . 0.0 117.085 170.027 . . . . . . . . 2 2 . 1 . 015 ecloud nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . 0.256 . . -42.26 -45.5 4.19 Favored 'General case' 0 C--N 1.391 2.395 0 N-CA-C 116.688 2.107 . . . . 0.0 116.688 165.122 . . . . . . . . 2 2 . 1 . 015 ecloud nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 45.8 tp -73.01 -61.46 1.8 Allowed 'General case' 0 CA--C 1.476 -1.898 0 C-N-CA 126.993 2.117 . . . . 0.0 110.356 -179.968 . . . . . . . . 1 1 . 1 . 015 ecloud nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -72.19 -41.22 67.22 Favored 'General case' 0 N--CA 1.397 -3.112 0 N-CA-C 119.6 3.185 . . . . 0.0 119.6 -174.915 . . . . . . . . 1 1 . 1 . 015 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 55.6 mt -83.91 -43.73 14.98 Favored 'General case' 0 C--N 1.374 1.665 0 O-C-N 117.859 -3.026 . . . . 0.0 112.988 177.42 . . . . . . . . 1 1 . 1 . 015 ecloud nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -80.08 -47.98 6.75 Favored Glycine 0 C--N 1.352 1.428 0 C-N-CA 126.684 2.088 . . . . 0.0 117.349 -173.719 . . . . . . . . 1 1 . 1 . 015 ecloud nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -86.05 -43.14 13.35 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.645 1.722 . . . . 0.0 109.622 -176.188 . . . . . . . . 1 1 . 1 . 015 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.4 mt -91.27 -43.45 9.8 Favored 'General case' 0 N--CA 1.428 -1.574 0 CA-C-O 123.771 1.748 . . . . 0.0 110.251 -170.84 . . . . . . . . 1 1 . 1 . 015 ecloud nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.49 -81.18 0.58 Allowed Glycine 0 CA--C 1.563 3.085 0 O-C-N 118.994 -2.316 . . . . 0.0 116.982 176.013 . . . . . . . . 1 1 . 1 . 015 ecloud nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.02 -57.99 6.43 Favored 'General case' 0 C--N 1.399 2.733 0 C-N-CA 129.554 3.142 . . . . 0.0 114.064 173.633 . . . . . . . . 1 1 . 1 . 015 ecloud nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . 0.335 . . -76.75 -41.82 43.39 Favored 'General case' 0 CA--C 1.577 1.991 0 N-CA-C 116.044 1.868 . . . . 0.0 116.044 -177.361 . . . . . . . . 2 2 . 1 . 015 ecloud nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.76 36.06 4.66 Favored Glycine 0 CA--C 1.458 -3.523 0 CA-C-N 120.321 1.419 . . . . 0.0 114.416 164.913 . . . . . . . . 1 1 . 1 . 015 ecloud nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.9 t -83.74 172.53 12.14 Favored 'General case' 0 CA--C 1.481 -1.709 0 CA-C-N 118.781 1.291 . . . . 0.0 114.289 -175.525 . . . . . . . . 1 1 . 1 . 015 ecloud nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.6 m -67.78 129.05 38.71 Favored 'General case' 0 C--O 1.271 2.201 0 O-C-N 119.627 -1.921 . . . . 0.0 111.346 -177.295 . . . . . . . . 1 1 . 1 . 015 ecloud nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 7.2 ttt -98.21 -84.46 0.39 Allowed 'General case' 0 C--N 1.388 2.278 0 CA-C-O 124.311 2.005 . . . . 0.0 108.932 176.438 . . . . . . . . 1 1 . 1 . 015 ecloud nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -160.1 172.12 36.52 Favored Glycine 0 N--CA 1.421 -2.36 0 O-C-N 119.045 -2.285 . . . . 0.0 108.087 176.523 . . . . . . . . 1 1 . 1 . 015 ecloud nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.9 110.6 21.96 Favored 'General case' 0 C--O 1.26 1.625 0 CA-C-O 123.966 1.841 . . . . 0.0 112.8 -178.66 . . . . . . . . 1 1 . 1 . 015 ecloud nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 67.9 mtp180 -86.49 -49.16 7.79 Favored 'General case' 0 C--N 1.386 2.158 0 CA-C-O 115.061 -2.399 . . . . 0.0 112.995 163.115 . . . . . . . . 1 1 . 1 . 015 ecloud nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.6 p -81.48 -35.46 30.47 Favored 'General case' 0 N--CA 1.52 3.056 0 CA-C-O 113.402 -3.19 . . . . 0.0 111.095 -175.12 . . . . . . . . 1 1 . 1 . 015 ecloud nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.052 0 CA-C-N 124.931 3.514 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 ecloud nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.179 -2.619 1 N-CA-C 122.628 4.307 . . . . 0.0 122.628 . . . . . . . . . 1 1 . 1 . 016 ecloud nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.4 m -82.2 165.41 2.59 Favored 'Isoleucine or valine' 0 C--N 1.399 2.728 0 O-C-N 117.441 -3.287 . . . . 0.0 112.408 179.641 . . . . . . . . 1 1 . 1 . 016 ecloud nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -82.47 66.47 3.9 Favored Glycine 0 N--CA 1.492 2.407 0 O-C-N 117.43 -3.294 . . . . 0.0 115.335 -164.484 . . . . . . . . 1 1 . 1 . 016 ecloud nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.7 mm -59.76 -53.47 48.02 Favored 'Isoleucine or valine' 0 C--O 1.269 2.119 0 CA-C-N 113.309 -1.446 . . . . 0.0 112.937 174.616 . . . . . . . . 1 1 . 1 . 016 ecloud nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -55.72 -53.71 39.87 Favored Glycine 0 CA--C 1.543 1.83 0 O-C-N 118.318 -2.739 . . . . 0.0 114.521 168.64 . . . . . . . . 1 1 . 1 . 016 ecloud nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . 0.259 . . -35.06 -63.45 0.33 Allowed 'General case' 0 N--CA 1.512 2.626 0 C-N-CA 125.605 1.562 . . . . 0.0 115.161 166.053 . . . . . . . . 2 2 . 1 . 016 ecloud nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 17.3 tp -81.16 -51.16 8.75 Favored 'General case' 0 C--N 1.367 1.344 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 -170.214 . . . . . . . . 1 1 . 1 . 016 ecloud nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.406 ' HA ' HD12 ' A' ' 12' ' ' LEU . 97.9 m-85 -83.9 -39.99 19.15 Favored 'General case' 0 C--N 1.385 2.147 0 CA-C-N 122.808 2.549 . . . . 0.0 115.681 -169.201 . . . . . . . . 2 2 . 1 . 016 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.5 mt -94.1 -37.69 11.48 Favored 'General case' 0 N--CA 1.519 3.019 0 CA-C-O 124.117 1.913 . . . . 0.0 115.732 177.022 . . . . . . . . 1 1 . 1 . 016 ecloud nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.15 -51.51 4.67 Favored Glycine 0 CA--C 1.495 -1.171 0 O-C-N 117.34 -3.35 . . . . 0.0 112.729 -177.693 . . . . . . . . 1 1 . 1 . 016 ecloud nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -86.55 -62.22 1.56 Allowed 'General case' 0 N--CA 1.437 -1.107 0 O-C-N 116.793 -3.769 . . . . 0.0 111.283 -170.049 . . . . . . . . 1 1 . 1 . 016 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 8' ' ' PHE . 20.2 mt -64.82 -46.98 79.69 Favored 'General case' 0 N--CA 1.503 2.205 0 C-N-CA 127.577 2.351 . . . . 0.0 116.568 172.828 . . . . . . . . 2 2 . 1 . 016 ecloud nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.83 -79.48 0.32 Allowed Glycine 0 C--O 1.173 -3.67 0 CA-C-O 126.651 3.362 . . . . 0.0 116.848 177.345 . . . . . . . . 1 1 . 1 . 016 ecloud nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.62 -66.11 0.59 Allowed 'General case' 0 CA--C 1.573 1.865 0 O-C-N 117.751 -3.206 . . . . 0.0 114.137 -177.102 . . . . . . . . 1 1 . 1 . 016 ecloud nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.88 -50.77 72.21 Favored 'General case' 0 C--N 1.385 2.127 1 O-C-N 115.967 -4.208 . . . . 0.0 113.237 175.654 . . . . . . . . 2 2 . 1 . 016 ecloud nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 109.04 40.97 1.47 Allowed Glycine 0 CA--C 1.47 -2.738 0 O-C-N 117.794 -3.066 . . . . 0.0 111.352 164.965 . . . . . . . . 1 1 . 1 . 016 ecloud nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.0 t -69.98 158.93 34.71 Favored 'General case' 0 CA--C 1.571 1.777 0 O-C-N 119.635 -2.097 . . . . 0.0 113.352 174.916 . . . . . . . . 1 1 . 1 . 016 ecloud nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.3 m -75.69 116.89 16.87 Favored 'General case' 0 C--O 1.219 -0.529 0 C-N-CA 124.208 1.003 . . . . 0.0 112.547 179.997 . . . . . . . . 1 1 . 1 . 016 ecloud nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 13.7 ttt -84.71 -50.76 7.34 Favored 'General case' 0 C--O 1.26 1.644 0 CA-C-O 123.731 1.729 . . . . 0.0 112.783 165.828 . . . . . . . . 1 1 . 1 . 016 ecloud nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 171.42 -162.67 35.31 Favored Glycine 0 C--N 1.381 3.03 0 C-N-CA 125.719 1.628 . . . . 0.0 111.194 161.723 . . . . . . . . 1 1 . 1 . 016 ecloud nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.82 155.88 28.22 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-O 125.262 2.458 . . . . 0.0 110.779 -173.7 . . . . . . . . 1 1 . 1 . 016 ecloud nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 49.1 mtp180 -84.12 -73.65 0.41 Allowed 'General case' 0 CA--C 1.568 1.648 1 O-C-N 115.765 -4.334 . . . . 0.0 107.317 170.485 . . . . . . . . 2 2 . 1 . 016 ecloud nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . 0.412 74.3 p -104.42 -65.88 1.0 Allowed 'General case' 0 CA--C 1.568 1.646 0 CA-C-O 126.259 2.933 . . . . 0.0 114.739 177.937 . . . . . . . . 2 2 . 1 . 016 ecloud nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.571 0 O-C-N 117.838 -3.039 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 ecloud nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.921 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 017 ecloud nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.6 m -80.31 175.92 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.398 2.687 0 O-C-N 118.996 -2.315 . . . . 0.0 108.159 167.47 . . . . . . . . 1 1 . 1 . 017 ecloud nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -87.78 89.02 1.58 Allowed Glycine 0 N--CA 1.494 2.513 0 O-C-N 118.08 -2.887 . . . . 0.0 112.282 176.25 . . . . . . . . 1 1 . 1 . 017 ecloud nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 39.5 mm -76.75 -42.35 33.64 Favored 'Isoleucine or valine' 0 C--O 1.275 2.439 0 O-C-N 117.801 -3.176 . . . . 0.0 117.112 170.155 . . . . . . . . 1 1 . 1 . 017 ecloud nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -76.79 -30.63 55.77 Favored Glycine 0 CA--C 1.475 -2.442 0 CA-C-O 115.305 -2.942 . . . . 0.0 114.712 173.095 . . . . . . . . 1 1 . 1 . 017 ecloud nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.03 -39.43 92.28 Favored 'General case' 0 C--O 1.208 -1.124 0 CA-C-N 123.006 3.403 . . . . 0.0 112.07 174.022 . . . . . . . . 1 1 . 1 . 017 ecloud nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.4 tp -70.35 -70.7 0.28 Allowed 'General case' 0 C--O 1.188 -2.145 0 O-C-N 125.015 1.447 . . . . 0.0 112.236 175.614 . . . . . . . . 1 1 . 1 . 017 ecloud nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -64.9 -42.24 94.93 Favored 'General case' 0 C--N 1.377 1.785 0 O-C-N 119.433 -2.042 . . . . 0.0 112.247 -166.786 . . . . . . . . 1 1 . 1 . 017 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 24.8 mt -98.24 -43.72 6.86 Favored 'General case' 0 N--CA 1.445 -0.694 0 O-C-N 120.66 -1.275 . . . . 0.0 108.814 -164.512 . . . . . . . . 1 1 . 1 . 017 ecloud nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.68 -80.94 0.19 Allowed Glycine 1 N--CA 1.522 4.408 0 C-N-CA 125.418 1.485 . . . . 0.0 112.665 178.611 . . . . . . . . 2 2 . 1 . 017 ecloud nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -73.6 -53.24 10.96 Favored 'General case' 0 CA--C 1.616 3.489 0 C-N-CA 126.387 1.875 . . . . 0.0 109.535 -168.298 . . . . . . . . 1 1 . 1 . 017 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 70.6 mt -77.29 -13.17 59.99 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 121.152 1.796 . . . . 0.0 115.759 173.585 . . . . . . . . 1 1 . 1 . 017 ecloud nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -98.89 -82.03 1.64 Allowed Glycine 0 CA--C 1.483 -1.923 0 CA-C-N 120.531 1.514 . . . . 0.0 113.404 176.38 . . . . . . . . 1 1 . 1 . 017 ecloud nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.76 -47.17 61.01 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-O 124.213 1.958 . . . . 0.0 111.913 -161.431 . . . . . . . . 1 1 . 1 . 017 ecloud nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.79 98.87 Favored 'General case' 0 CA--C 1.456 -2.67 0 C-N-CA 128.725 2.81 . . . . 0.0 113.45 168.753 . . . . . . . . 1 1 . 1 . 017 ecloud nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.24 44.62 4.33 Favored Glycine 0 C--N 1.362 1.977 0 CA-C-O 123.866 1.815 . . . . 0.0 111.026 165.225 . . . . . . . . 1 1 . 1 . 017 ecloud nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.4 t -85.51 -179.01 6.83 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 119.377 -2.249 . . . . 0.0 110.105 179.498 . . . . . . . . 1 1 . 1 . 017 ecloud nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.6 m -95.68 120.89 36.73 Favored 'General case' 0 CA--C 1.439 -3.326 0 O-C-N 120.277 -1.514 . . . . 0.0 111.454 -177.723 . . . . . . . . 1 1 . 1 . 017 ecloud nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 17.6 ttt -88.42 -55.78 3.58 Favored 'General case' 0 C--O 1.267 2.012 0 C-N-CA 127.827 2.451 . . . . 0.0 113.948 176.595 . . . . . . . . 1 1 . 1 . 017 ecloud nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 160.18 -164.8 34.55 Favored Glycine 0 CA--C 1.474 -2.49 0 C-N-CA 116.92 -2.562 . . . . 0.0 109.707 -171.149 . . . . . . . . 1 1 . 1 . 017 ecloud nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.11 142.19 51.58 Favored 'General case' 0 C--O 1.191 -2.015 0 O-C-N 124.431 0.724 . . . . 0.0 111.55 -174.104 . . . . . . . . 1 1 . 1 . 017 ecloud nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -81.09 -67.43 0.78 Allowed 'General case' 0 CA--C 1.585 2.29 0 O-C-N 120.013 -1.679 . . . . 0.0 109.948 -173.063 . . . . . . . . 1 1 . 1 . 017 ecloud nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 82.3 p -74.7 -31.26 61.83 Favored 'General case' 0 C--N 1.384 2.094 0 CA-C-O 126.802 3.191 . . . . 0.0 111.709 -173.372 . . . . . . . . 1 1 . 1 . 017 ecloud nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.587 0 O-C-N 119.034 -2.291 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 ecloud nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.371 0 CA-C-O 114.272 -2.775 . . . . 0.0 113.63 . . . . . . . . . 0 0 . 1 . 018 ecloud nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.1 m -104.46 -167.74 0.22 Allowed 'Isoleucine or valine' 0 C--O 1.208 -1.091 0 N-CA-C 105.333 -2.099 . . . . 0.0 105.333 166.949 . . . . . . . . 1 1 . 1 . 018 ecloud nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -86.97 70.9 2.83 Favored Glycine 0 C--N 1.368 2.317 0 CA-C-O 113.986 -3.674 . . . . 0.0 112.901 -171.679 . . . . . . . . 1 1 . 1 . 018 ecloud nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.4 mm -70.79 -54.53 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.193 0 O-C-N 127.663 2.625 . . . . 0.0 107.302 -175.419 . . . . . . . . 1 1 . 1 . 018 ecloud nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -84.19 -24.13 49.1 Favored Glycine 1 C--O 1.165 -4.203 0 O-C-N 120.237 -1.539 . . . . 0.0 110.938 -171.064 . . . . . . . . 2 2 . 1 . 018 ecloud nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.51 -31.54 72.33 Favored 'General case' 1 N--CA 1.366 -4.647 0 O-C-N 119.56 -2.141 . . . . 0.0 114.539 168.1 . . . . . . . . 2 2 . 1 . 018 ecloud nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 19.1 tp -77.53 -74.68 0.24 Allowed 'General case' 0 N--CA 1.487 1.392 0 CA-C-O 125.432 2.539 . . . . 0.0 110.331 169.299 . . . . . . . . 1 1 . 1 . 018 ecloud nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.262 12.0 m-85 -58.06 -39.15 77.76 Favored 'General case' 0 CA--C 1.476 -1.893 0 N-CA-C 119.03 2.974 . . . . 0.0 119.03 -167.064 . . . . . . . . 2 2 . 1 . 018 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 43.4 mt -84.72 -65.13 1.04 Allowed 'General case' 0 C--N 1.295 -1.793 0 CA-C-O 124.307 2.003 . . . . 0.0 111.727 172.032 . . . . . . . . 1 1 . 1 . 018 ecloud nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.47 -50.52 49.05 Favored Glycine 0 CA--C 1.464 -3.156 0 CA-C-O 124.929 2.405 . . . . 0.0 114.554 -162.309 . . . . . . . . 1 1 . 1 . 018 ecloud nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -89.23 -60.65 1.89 Allowed 'General case' 0 CA--C 1.503 -0.855 1 O-C-N 116.187 -4.126 . . . . 0.0 111.398 -175.81 . . . . . . . . 2 2 . 1 . 018 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . 0.296 55.7 mt -56.61 -54.68 43.23 Favored 'General case' 0 C--O 1.193 -1.909 0 C-N-CA 128.035 2.534 . . . . 0.0 110.018 176.697 . . . . . . . . 2 2 . 1 . 018 ecloud nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.66 -71.7 1.16 Allowed Glycine 1 C--N 1.437 6.17 0 O-C-N 119.702 -1.874 . . . . 0.0 116.595 179.851 . . . . . . . . 2 2 . 1 . 018 ecloud nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . 0.312 . . -77.32 -48.03 18.45 Favored 'General case' 0 N--CA 1.429 -1.507 0 CA-C-N 120.854 2.327 . . . . 0.0 111.92 -160.135 . . . . . . . . 2 2 . 1 . 018 ecloud nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.12 -32.69 72.25 Favored 'General case' 0 N--CA 1.511 2.622 0 C-N-CA 117.785 -1.566 . . . . 0.0 111.876 171.358 . . . . . . . . 1 1 . 1 . 018 ecloud nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.2 32.91 5.9 Favored Glycine 0 CA--C 1.469 -2.796 0 O-C-N 119.573 -1.955 . . . . 0.0 111.539 168.926 . . . . . . . . 1 1 . 1 . 018 ecloud nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.2 t -73.94 138.65 44.37 Favored 'General case' 0 C--N 1.373 1.588 1 O-C-N 116.012 -4.228 . . . . 0.0 111.15 178.837 . . . . . . . . 2 2 . 1 . 018 ecloud nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 55.7 m -85.96 134.43 33.87 Favored 'General case' 0 C--O 1.257 1.449 0 O-C-N 118.846 -2.408 . . . . 0.0 109.719 -177.948 . . . . . . . . 1 1 . 1 . 018 ecloud nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 13.2 ttt -80.12 -61.08 2.09 Favored 'General case' 0 CA--C 1.473 -2.01 1 C-N-CA 132.995 4.518 . . . . 0.0 115.461 177.728 . . . . . . . . 2 2 . 1 . 018 ecloud nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -167.63 -94.38 0.1 OUTLIER Glycine 0 CA--C 1.544 1.863 0 C-N-CA 117.045 -2.503 . . . . 0.0 112.336 156.048 . . . . . . . . 1 1 . 1 . 018 ecloud nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -161.88 139.45 8.72 Favored 'General case' 0 N--CA 1.419 -2.02 0 O-C-N 119.597 -2.12 . . . . 0.0 111.023 175.213 . . . . . . . . 1 1 . 1 . 018 ecloud nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 43.9 mtp180 -79.58 -85.01 0.09 Allowed 'General case' 0 C--O 1.186 -2.267 0 N-CA-C 116.081 1.882 . . . . 0.0 116.081 168.493 . . . . . . . . 1 1 . 1 . 018 ecloud nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.9 p -86.34 -46.38 10.34 Favored 'General case' 0 CA--C 1.579 2.081 0 O-C-N 119.599 -1.938 . . . . 0.0 107.043 176.512 . . . . . . . . 1 1 . 1 . 018 ecloud nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.572 0 O-C-N 119.446 -2.034 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 ecloud nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.528 3.427 0 N-CA-C 117.822 2.527 . . . . 0.0 117.822 . . . . . . . . . 0 0 . 1 . 019 ecloud nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.5 m -76.01 176.54 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.577 2.015 0 O-C-N 116.867 -3.646 . . . . 0.0 110.486 167.471 . . . . . . . . 1 1 . 1 . 019 ecloud nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.68 67.44 3.16 Favored Glycine 0 C--O 1.294 3.844 0 C-N-CA 125.59 1.566 . . . . 0.0 113.114 -171.462 . . . . . . . . 1 1 . 1 . 019 ecloud nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.8 mm -67.8 -59.25 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 N-CA-C 118.35 2.722 . . . . 0.0 118.35 179.778 . . . . . . . . 1 1 . 1 . 019 ecloud nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -67.15 -33.01 81.82 Favored Glycine 0 N--CA 1.413 -2.862 0 CA-C-N 109.967 -3.288 . . . . 0.0 112.046 175.556 . . . . . . . . 1 1 . 1 . 019 ecloud nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.01 -38.36 75.93 Favored 'General case' 0 N--CA 1.41 -2.433 0 C-N-CA 127.124 2.17 . . . . 0.0 106.031 -175.613 . . . . . . . . 1 1 . 1 . 019 ecloud nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.276 6.9 tp -67.67 -63.32 1.08 Allowed 'General case' 0 C--O 1.198 -1.638 0 O-C-N 117.385 -3.322 . . . . 0.0 111.358 173.201 . . . . . . . . 2 2 . 1 . 019 ecloud nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -66.78 -64.38 0.87 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.38 1.872 . . . . 0.0 113.528 -170.188 . . . . . . . . 1 1 . 1 . 019 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 24.4 mt -75.8 -33.77 60.15 Favored 'General case' 0 C--O 1.243 0.731 0 C-N-CA 123.869 0.868 . . . . 0.0 110.665 -172.637 . . . . . . . . 1 1 . 1 . 019 ecloud nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.03 -58.64 1.09 Allowed Glycine 0 C--O 1.191 -2.561 0 N-CA-C 116.808 1.483 . . . . 0.0 116.808 -165.967 . . . . . . . . 1 1 . 1 . 019 ecloud nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -75.97 -51.77 11.69 Favored 'General case' 0 CA--C 1.491 -1.292 0 C-N-CA 125.024 1.33 . . . . 0.0 113.327 179.681 . . . . . . . . 1 1 . 1 . 019 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 50.0 mt -77.18 -59.65 2.69 Favored 'General case' 0 C--N 1.385 2.138 0 C-N-CA 126.859 2.063 . . . . 0.0 108.577 -179.116 . . . . . . . . 1 1 . 1 . 019 ecloud nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.38 -83.52 0.05 OUTLIER Glycine 0 N--CA 1.51 3.582 0 CA-C-O 115.68 -2.733 . . . . 0.0 117.955 173.621 . . . . . . . . 1 1 . 1 . 019 ecloud nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.54 -54.41 28.44 Favored 'General case' 0 C--N 1.293 -1.886 0 CA-C-O 112.119 -3.8 . . . . 0.0 113.092 -173.55 . . . . . . . . 1 1 . 1 . 019 ecloud nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.57 -83.69 0.01 OUTLIER 'General case' 0 C--O 1.21 -1.021 0 CA-C-N 122.896 2.589 . . . . 0.0 111.296 178.118 . . . . . . . . 1 1 . 1 . 019 ecloud nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 138.77 39.93 0.1 Allowed Glycine 0 N--CA 1.417 -2.606 0 C-N-CA 117.576 -2.25 . . . . 0.0 110.255 159.683 . . . . . . . . 1 1 . 1 . 019 ecloud nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.3 t -57.47 179.36 0.06 Allowed 'General case' 0 CA--C 1.491 -1.3 0 C-N-CA 131.612 3.965 . . . . 0.0 113.491 169.098 . . . . . . . . 1 1 . 1 . 019 ecloud nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 92.9 m -116.87 123.53 47.26 Favored 'General case' 0 N--CA 1.401 -2.912 0 C-N-CA 129.466 3.106 . . . . 0.0 107.745 -164.38 . . . . . . . . 1 1 . 1 . 019 ecloud nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 29.7 ttp -93.93 -52.82 4.25 Favored 'General case' 0 C--O 1.257 1.476 0 CA-C-O 124.181 1.943 . . . . 0.0 113.459 166.507 . . . . . . . . 1 1 . 1 . 019 ecloud nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -160.25 -124.76 0.75 Allowed Glycine 0 CA--C 1.497 -1.058 0 N-CA-C 103.381 -3.887 . . . . 0.0 103.381 172.111 . . . . . . . . 1 1 . 1 . 019 ecloud nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -155.82 165.45 36.47 Favored 'General case' 1 N--CA 1.376 -4.127 0 O-C-N 119.31 -2.288 . . . . 0.0 110.45 166.199 . . . . . . . . 2 2 . 1 . 019 ecloud nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -100.92 -103.97 0.25 Allowed 'General case' 0 N--CA 1.41 -2.432 0 N-CA-C 105.977 -1.86 . . . . 0.0 105.977 -168.929 . . . . . . . . 1 1 . 1 . 019 ecloud nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.5 p -54.82 -86.2 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 117.823 2.527 . . . . 0.0 117.823 -160.162 . . . . . . . . 1 1 . 1 . 019 ecloud nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.825 0 CA-C-N 122.667 2.485 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_