data_6rbb_residue ############################ # Computer software used # ############################ 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 6rbb _Structure_validation_residue.Date_analyzed 2020-05-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' H' H ' 3' ' ' ARG . . . . . 0.524 ' CG ' ' NH1' ' H' ' 3' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.2 -1.506 0 CA-C-O 121.508 0.671 . . . . 87.29 109.267 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' H' H ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.65 169.48 18.68 Favored Glycine 0 N--CA 1.422 -2.237 0 C-N-CA 119.156 -1.497 . . . . 75.03 114.222 178.01 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -131.46 -69.63 0.61 Allowed 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 113.867 -1.167 . . . . 84.4 112.101 176.576 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 6' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -102.08 -8.11 21.71 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.823 0.849 . . . . 92.78 112.028 165.426 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 7' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -156.45 168.45 27.33 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 106.49 -1.67 . . . . 62.2 106.49 -168.749 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' H' H ' 8' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -72.45 153.44 41.39 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 118.813 -1.155 . . . . 66.36 110.049 175.881 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 9' ' ' VAL . . . . . . . . . . . . . 40.2 t -125.92 143.15 40.42 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 N-CA-C 109.236 -0.653 . . . . 48.54 109.236 179.612 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 10' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -138.77 118.52 13.15 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 106.956 -1.498 . . . . 56.4 106.956 179.669 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 mt -98.64 134.0 42.19 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 109.202 -0.666 . . . . 50.32 109.202 171.213 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 46.6 t -139.84 162.53 25.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 105.805 -1.924 . . . . 50.31 105.805 -177.083 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 13' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -112.08 151.78 29.01 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.376 -0.602 . . . . 56.95 109.376 176.224 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.6 138.98 21.62 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.084 -0.962 . . . . 53.06 110.851 -177.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.68 -10.04 40.5 Favored Glycine 0 N--CA 1.444 -0.772 0 N-CA-C 115.038 0.775 . . . . 47.01 115.038 -173.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.93 -175.75 20.98 Favored Glycine 0 CA--C 1.528 0.852 0 CA-C-O 123.019 1.344 . . . . 44.28 112.569 174.786 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 17' ' ' SER . . . . . . . . . . . . . 15.2 m -136.7 159.62 41.27 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 114.116 -1.042 . . . . 43.04 109.357 179.766 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 18' ' ' LEU . . . . . . . . . . . . . 30.2 tp -161.01 147.0 14.61 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 107.914 -1.143 . . . . 40.27 107.914 -178.565 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 19' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -121.21 107.08 12.13 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 109.376 -0.601 . . . . 55.07 109.376 -177.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 20' ' ' LEU . . . . . . . . . . . . . 59.0 mt -83.22 149.64 26.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.644 0.735 . . . . 38.9 110.014 174.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 21' ' ' SER . . . . . . . . . . . . . 1.1 t -140.65 149.22 41.99 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.516 -0.766 . . . . 49.35 108.956 -176.256 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -148.63 122.28 9.22 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 107.037 -1.468 . . . . 59.84 107.037 -170.072 155.28 136.067 66.353 103.45 2.021 104.477 170.863 68.59 2 2 . 1 . 001 ecloud orig full ' H' H ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.79 150.6 40.16 Favored 'General case' 0 C--O 1.235 0.323 0 O-C-N 123.553 0.533 . . . . 60.93 110.499 -169.025 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 24' ' ' ALA . . . . . . . . . . . . . . . -126.56 -170.61 2.23 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.449 -0.796 . . . . 68.96 109.276 169.165 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 25' ' ' SER . . . . . . . . . . . . . 6.2 m -124.65 139.89 53.44 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 122.864 0.466 . . . . 64.96 109.801 178.163 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 26' ' ' GLY . . . . . . . . . . . . . . . 65.47 30.72 78.21 Favored Glycine 0 C--N 1.334 0.442 0 N-CA-C 116.719 1.448 . . . . 65.84 116.719 175.735 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.13 41.39 98.45 Favored Glycine 0 C--O 1.239 0.436 0 CA-C-N 118.24 1.02 . . . . 61.47 114.27 -178.655 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 28' ' ' THR . . . . . . . . . . . . . 20.6 m -57.44 -43.08 83.62 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-N 117.56 0.68 . . . . 64.21 111.966 -170.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 29' ' ' PHE . . . . . 0.462 ' O ' ' NH1' ' H' ' 71' ' ' ARG . 4.4 p90 -109.55 42.07 1.55 Allowed 'General case' 0 C--N 1.331 -0.227 0 O-C-N 121.743 -0.598 . . . . 64.11 112.577 -179.082 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.35 -33.58 73.31 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 120.083 -0.647 . . . . 59.85 111.573 170.301 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 31' ' ' THR . . . . . . . . . . . . . 68.5 p -92.88 -10.28 37.18 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 113.244 0.831 . . . . 58.59 113.244 177.401 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 32' ' ' SER . . . . . . . . . . . . . 1.4 m -103.9 151.75 38.93 Favored Pre-proline 0 C--O 1.238 0.493 0 C-N-CA 114.491 -2.884 . . . . 53.99 111.79 -171.315 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 33' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -76.13 150.99 34.1 Favored 'Trans proline' 0 C--N 1.331 -0.359 0 N-CA-C 110.083 -0.776 . . . . 40.05 110.083 167.932 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 34' ' ' MET . . . . . . . . . . . . . 92.8 mmm -130.92 162.3 29.98 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.229 -0.896 . . . . 44.26 109.507 -168.407 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 35' ' ' GLY . . . . . . . . . . . . . . . -161.03 176.78 37.6 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 119.333 -1.413 . . . . 32.11 112.97 178.876 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 36' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -121.39 130.66 53.73 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 114.117 -1.041 . . . . 36.95 108.204 169.784 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 37' ' ' LEU . . . . . . . . . . . . . 10.1 mt -114.2 160.71 18.7 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 123.815 0.846 . . . . 27.06 109.679 171.179 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 38' ' ' ARG . . . . . . . . . . . . . 31.8 ptt180 -143.12 147.83 35.62 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.868 0.842 . . . . 32.5 110.887 176.429 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 39' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -120.03 106.2 11.77 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 107.949 -1.13 . . . . 59.52 107.949 176.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 40' ' ' ALA . . . . . . . . . . . . . . . -83.27 144.64 47.1 Favored Pre-proline 0 C--N 1.322 -0.611 0 C-N-CA 118.343 -1.343 . . . . 52.62 110.007 169.836 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 41' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -49.11 131.87 26.85 Favored 'Trans proline' 0 N--CA 1.474 0.326 0 C-N-CA 120.869 1.046 . . . . 53.35 112.829 -177.578 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.09 -35.98 2.74 Favored Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 115.666 -0.697 . . . . 56.53 114.539 -173.599 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 43' ' ' LYS . . . . . 0.738 ' NZ ' ' O ' ' H' ' 201' ' ' HOH . 0.1 OUTLIER -82.37 153.14 25.91 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 122.037 0.923 . . . . 60.05 111.562 -174.39 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' H' H ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.06 163.45 37.89 Favored Glycine 0 N--CA 1.446 -0.646 0 CA-C-N 114.761 -1.109 . . . . 50.92 111.665 165.119 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 34.2 m -59.95 133.29 55.96 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.629 -0.786 . . . . 40.06 110.023 173.556 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -120.3 159.17 25.54 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 122.069 0.938 . . . . 58.97 110.641 176.22 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 47' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -86.95 140.33 29.71 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-N 114.004 -1.453 . . . . 30.57 109.016 -177.534 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 48' ' ' VAL . . . . . . . . . . . . . 73.8 t -111.16 -66.95 1.25 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.469 0 N-CA-C 108.735 -0.839 . . . . 30.32 108.735 177.459 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 49' ' ' ALA . . . . . . . . . . . . . . . -150.96 155.06 38.32 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 109.031 -0.729 . . . . 30.37 109.031 -173.031 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 50' ' ' ALA . . . . . . . . . . . . . . . -143.69 146.83 33.5 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 115.191 -0.913 . . . . 31.06 109.216 177.571 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 51' ' ' ILE . . . . . . . . . . . . . 9.1 tt -134.93 137.86 50.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 108.587 -0.894 . . . . 35.24 108.587 -178.146 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 52' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -80.45 167.84 29.98 Favored Pre-proline 0 C--N 1.327 -0.401 0 C-N-CA 119.501 -0.88 . . . . 51.58 111.024 -176.535 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' H' H ' 52' A PRO . . . . . . . . . . . . . 83.7 Cg_exo -54.49 -40.33 84.01 Favored 'Trans proline' 0 C--N 1.352 0.715 0 N-CA-C 114.979 1.107 . . . . 47.83 114.979 174.37 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 4.5 p -64.95 -9.38 21.02 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 112.766 0.654 . . . . 56.46 112.766 177.754 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.87 -3.92 86.11 Favored Glycine 0 N--CA 1.442 -0.909 0 CA-C-O 119.0 -0.889 . . . . 47.17 115.236 -174.149 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 55' ' ' GLY . . . . . . . . . . . . . . . -120.56 0.01 12.37 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 118.225 2.05 . . . . 65.87 118.225 -159.376 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 56' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -111.8 89.97 3.21 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 104.607 -2.368 . . . . 50.84 104.607 174.974 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 57' ' ' ARG . . . . . . . . . . . . . 77.8 mtm-85 -107.3 126.45 52.46 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.553 -0.749 . . . . 48.12 109.126 -176.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 58' ' ' ILE . . . . . . . . . . . . . 4.7 pt -127.62 159.54 38.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 CA-C-O 121.82 0.819 . . . . 34.43 109.537 -179.8 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 59' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -146.99 130.04 16.39 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.118 -0.947 . . . . 36.23 110.359 -165.531 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 60' ' ' ALA . . . . . . . . . . . . . . . -45.28 135.11 6.09 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 107.972 -1.122 . . . . 39.58 107.972 160.623 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 61' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -61.16 -20.04 62.25 Favored 'General case' 0 CA--C 1.517 -0.295 0 C-N-CA 119.159 -1.017 . . . . 71.52 112.226 178.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 62' ' ' SER . . . . . . . . . . . . . 86.1 p -79.21 -1.74 37.74 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 113.571 0.952 . . . . 45.97 113.571 177.811 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 63' ' ' VAL . . . . . . . . . . . . . 32.9 m -129.82 -13.34 2.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 N-CA-C 108.51 -0.922 . . . . 38.89 108.51 178.974 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 64' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -51.91 130.87 30.4 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.863 -0.608 . . . . 53.53 109.604 179.155 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.48 -23.58 9.82 Favored Glycine 0 C--O 1.239 0.446 0 N-CA-C 115.007 0.763 . . . . 43.09 115.007 179.916 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 66' ' ' ARG . . . . . . . . . . . . . 43.3 mtm180 -98.42 -40.68 8.17 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-N 117.737 0.768 . . . . 44.2 112.915 175.081 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 67' ' ' PHE . . . . . . . . . . . . . 9.3 m-30 -100.09 155.52 17.68 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.265 -0.643 . . . . 36.42 109.265 179.556 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 22.8 p -142.31 145.54 34.08 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 108.633 -0.877 . . . . 37.97 108.633 168.491 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 69' ' ' ILE . . . . . . . . . . . . . 15.4 tt -113.77 151.03 15.65 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 N-CA-C 106.856 -1.535 . . . . 40.6 106.856 -176.354 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 1.9 p -153.72 175.75 12.91 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 108.655 -0.868 . . . . 46.65 108.655 175.197 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 71' ' ' ARG . . . . . 0.462 ' NH1' ' O ' ' H' ' 29' ' ' PHE . 12.0 ptm180 -148.98 166.69 27.88 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.375 0.607 . . . . 53.15 109.431 172.996 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' H' H ' 72' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -80.04 178.67 8.07 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.263 -0.88 . . . . 68.87 109.135 167.46 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 73' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -101.02 -19.19 15.93 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 113.732 1.012 . . . . 74.05 113.732 -178.674 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.69 -7.97 56.36 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 113.208 0.818 . . . . 68.11 113.208 177.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.31 27.38 40.09 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-O 119.6 -0.555 . . . . 67.72 114.095 179.223 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 76' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -113.55 -18.64 11.89 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 114.028 1.122 . . . . 69.25 114.028 -177.008 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 77' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -136.28 144.41 44.75 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 118.643 0.656 . . . . 68.09 111.88 -171.98 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 78' ' ' ILE . . . . . . . . . . . . . 44.9 pt -134.39 145.83 32.15 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 N-CA-C 107.465 -1.309 . . . . 47.2 107.465 159.085 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 79' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -117.96 154.52 31.81 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.044 -0.725 . . . . 52.45 109.044 178.685 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 80' ' ' LEU . . . . . . . . . . . . . 48.7 tp -125.91 117.23 22.87 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 105.65 -1.981 . . . . 40.06 105.65 169.952 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 81' ' ' GLN . . . . . . . . . . . . . 39.2 tp60 -103.01 102.64 12.68 Favored 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 106.869 -1.53 . . . . 41.87 106.869 -174.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 82' ' ' MET . . . . . . . . . . . . . 42.7 mtp -98.81 119.36 37.43 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.435 -0.58 . . . . 44.37 109.435 -173.632 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 82' A ASN . . . . . . . . . . . . . 51.8 m-80 -122.75 159.74 27.39 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 109.52 -0.548 . . . . 42.2 109.52 176.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 82' B SER . . . . . . . . . . . . . 74.2 m 59.41 43.1 16.9 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.815 -0.629 . . . . 50.02 111.97 178.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 82' C LEU . . . . . . . . . . . . . 7.8 mt -60.13 132.82 55.12 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 119.465 -0.894 . . . . 47.5 110.405 -175.531 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 83' ' ' LYS . . . . . . . . . . . . . 32.6 mttm -102.9 166.87 11.13 Favored Pre-proline 0 C--N 1.371 1.528 0 C-N-CA 128.732 2.813 . . . . 53.15 109.064 171.846 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 84' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -73.11 -14.84 25.97 Favored 'Trans proline' 0 C--O 1.238 0.509 0 CA-C-N 118.84 0.621 . . . . 52.66 112.728 169.349 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 85' ' ' GLU . . . . . . . . . . . . . 26.4 mp0 -65.09 -18.7 65.52 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 112.667 0.617 . . . . 68.57 112.667 170.196 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 86' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -88.38 0.07 56.61 Favored 'General case' 0 C--O 1.239 0.515 0 N-CA-C 113.003 0.742 . . . . 45.2 113.003 -177.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 87' ' ' THR . . . . . . . . . . . . . 99.7 m -64.31 117.65 7.53 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 108.653 -0.869 . . . . 40.02 108.653 178.384 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 88' ' ' ALA . . . . . . . . . . . . . . . -172.25 170.6 5.07 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 108.03 -1.1 . . . . 30.97 108.03 -179.012 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 89' ' ' VAL . . . . . . . . . . . . . 89.1 t -88.88 123.44 41.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 N-CA-C 108.994 -0.743 . . . . 28.17 108.994 167.234 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 90' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -98.69 135.46 40.15 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.938 0.399 . . . . 26.76 111.268 -176.588 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -126.51 130.42 50.57 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.283 -0.636 . . . . 45.08 109.283 178.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 92' ' ' CYS . . . . . . . . . . . . . 22.0 p -76.85 157.43 31.48 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 116.228 -2.189 . . . . 63.61 108.857 161.207 68.59 170.863 66.353 104.477 2.021 103.45 136.067 155.28 1 1 . 1 . 001 ecloud orig full ' H' H ' 93' ' ' ALA . . . . . . . . . . . . . . . -149.57 144.99 26.57 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.307 -0.86 . . . . 35.05 109.693 -170.0 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 94' ' ' VAL . . . . . . . . . . . . . 14.6 t -95.52 138.26 21.61 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.283 0 N-CA-C 108.134 -1.062 . . . . 36.62 108.134 170.4 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 95' ' ' ARG . . . . . 0.421 ' NH1' ' O ' ' H' ' 100' ' ' GLY . 20.9 ttt180 -80.4 109.65 15.1 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 107.944 -1.132 . . . . 38.98 107.944 168.832 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' H' H ' 96' ' ' ARG . . . . . . . . . . . . . 23.4 mtt180 -111.37 -8.25 14.33 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 114.079 1.14 . . . . 60.69 114.079 -175.583 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 97' ' ' ARG . . . . . . . . . . . . . 62.8 mtm-85 -137.96 162.24 34.6 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 106.961 -1.496 . . . . 35.01 106.961 -177.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 98' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -135.03 42.11 2.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.708 0.766 . . . . 38.28 110.613 -173.809 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 99' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -77.86 -29.03 50.21 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 120.114 -0.635 . . . . 40.17 112.694 178.714 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 100' ' ' GLY . . . . . 0.421 ' O ' ' NH1' ' H' ' 95' ' ' ARG . . . -126.33 -161.42 10.92 Favored Glycine 0 C--O 1.238 0.357 0 C-N-CA 119.401 -1.381 . . . . 36.08 113.608 178.01 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' H' H ' 100' A THR . . . . . . . . . . . . . 17.8 p -65.84 -176.59 0.39 Allowed 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 122.406 1.098 . . . . 41.2 110.85 176.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 100' B SER . . . . . . . . . . . . . 1.2 m -80.01 -8.6 59.44 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 116.25 -2.18 . . . . 44.85 111.826 175.381 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 100' C TYR . . . . . . . . . . . . . 82.9 m-85 -86.6 -4.64 59.2 Favored 'General case' 0 CA--C 1.512 -0.505 0 C-N-CA 124.539 1.136 . . . . 42.87 112.676 179.696 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 100' D TYR . . . . . . . . . . . . . 16.3 t80 -82.21 106.91 14.48 Favored 'General case' 0 C--O 1.24 0.59 0 C-N-CA 123.465 0.706 . . . . 36.42 109.504 -171.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 100' E THR . . . . . . . . . . . . . 11.2 p -55.25 -31.56 61.63 Favored 'General case' 0 C--N 1.348 0.515 0 C-N-CA 119.507 -0.877 . . . . 34.19 111.561 178.839 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 100' F GLY . . . . . . . . . . . . . . . -59.71 -24.42 59.9 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 115.558 0.983 . . . . 29.05 115.558 178.463 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 100' G ASP . . . . . . . . . . . . . 48.5 m-20 -81.02 -0.47 39.78 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-N 118.81 1.305 . . . . 33.09 113.432 178.216 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 100' H TYR . . . . . . . . . . . . . 80.3 m-85 -111.39 147.56 34.95 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.671 0.748 . . . . 30.32 111.251 -172.211 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 101' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -117.97 123.88 46.84 Favored 'General case' 0 C--O 1.241 0.63 0 N-CA-C 107.118 -1.438 . . . . 45.84 107.118 172.905 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 102' ' ' SER . . . . . . . . . . . . . 84.4 p -63.61 148.14 49.67 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 109.215 -0.661 . . . . 35.57 109.215 176.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 103' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 -136.63 124.13 22.17 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.127 -0.629 . . . . 51.96 110.313 -168.849 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 104' ' ' GLY . . . . . . . . . . . . . . . 89.3 -116.02 4.62 Favored Glycine 0 C--O 1.22 -0.734 0 N-CA-C 111.409 -0.676 . . . . 44.55 111.409 171.333 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 105' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -139.07 127.42 22.81 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.402 -0.592 . . . . 57.95 109.402 -170.45 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 106' ' ' GLY . . . . . . . . . . . . . . . -70.28 168.9 47.58 Favored Glycine 0 CA--C 1.522 0.494 0 CA-C-O 122.501 1.056 . . . . 34.92 112.976 -177.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 107' ' ' THR . . . . . . . . . . . . . 18.1 m -134.13 114.78 13.49 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 108.502 -0.925 . . . . 41.27 108.502 -177.583 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 108' ' ' LEU . . . . . . . . . . . . . 12.4 tp -78.84 118.48 20.92 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 109.315 -0.624 . . . . 38.24 109.315 174.181 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 109' ' ' VAL . . . . . . . . . . . . . 32.1 t -107.93 108.45 25.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 106.268 -1.753 . . . . 38.96 106.268 175.327 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 110' ' ' THR . . . . . . . . . . . . . 16.4 m -98.25 125.71 43.44 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 108.254 -1.017 . . . . 45.17 108.254 174.99 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 111' ' ' VAL . . . . . . . . . . . . . 3.6 t -108.09 117.89 54.6 Favored 'Isoleucine or valine' 0 C--O 1.242 0.658 0 N-CA-C 107.668 -1.234 . . . . 59.17 107.668 174.965 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 112' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -93.69 123.75 37.23 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 109.354 -0.61 . . . . 64.27 109.354 179.866 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' H' H ' 113' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.239 0.519 0 CA-C-O 121.476 0.655 . . . . 77.46 111.456 -176.736 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 6' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 . . . . . 0 C--O 1.233 0.202 0 CA-C-O 120.909 0.385 . . . . 86.86 111.592 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 7' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -84.2 158.78 21.19 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 122.432 1.111 . . . . 64.1 112.168 -169.368 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 8' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -90.98 149.31 21.9 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 114.318 -1.31 . . . . 76.03 107.611 152.452 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 9' ' ' VAL . . . . . . . . . . . . . 48.0 t -124.05 142.73 39.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 CA-C-O 121.291 0.567 . . . . 48.32 110.716 -173.379 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 10' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -137.65 127.49 25.54 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 124.945 1.298 . . . . 58.17 107.571 -178.425 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 11' ' ' LEU . . . . . . . . . . . . . 3.6 mt -113.02 137.87 50.75 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 108.386 -0.968 . . . . 50.52 108.386 177.53 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 3.4 t -141.82 145.02 24.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 107.705 -1.22 . . . . 45.25 107.705 -169.123 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 13' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -90.71 141.02 29.23 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.944 -0.762 . . . . 67.57 108.944 173.479 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 14' ' ' ALA . . . . . . . . . . . . . . . -47.92 136.93 10.6 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.397 0.617 . . . . 48.07 111.013 178.346 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.78 -7.6 65.35 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-O 119.054 -0.859 . . . . 49.72 114.418 -175.537 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.81 -172.92 42.48 Favored Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 118.508 1.154 . . . . 38.92 112.442 175.271 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 17' ' ' SER . . . . . . . . . . . . . 5.3 m -135.1 162.08 33.5 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-O 122.121 0.962 . . . . 32.57 111.007 -177.171 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 18' ' ' LEU . . . . . . . . . . . . . 56.0 tp -160.32 137.9 9.6 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 114.606 -1.179 . . . . 41.3 108.029 -176.013 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 19' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 -111.07 125.44 53.76 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 123.444 0.465 . . . . 55.24 109.999 175.209 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 20' ' ' LEU . . . . . . . . . . . . . 43.4 mt -101.92 155.6 18.06 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 124.991 1.317 . . . . 37.43 109.537 171.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 21' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -152.22 136.63 16.77 Favored 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 109.063 -0.717 . . . . 48.32 109.063 -173.84 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' I' I ' 22' ' ' CYS . . . . . . . . . . . . . 8.7 t -131.43 132.72 44.55 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.037 -0.983 . . . . 86.26 109.023 -173.595 -162.786 120.139 69.913 107.051 1.99 101.492 158.658 35.42 1 1 . 1 . 001 ecloud orig full ' I' I ' 23' ' ' ALA . . . . . . . . . . . . . . . -110.47 94.62 5.1 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.738 -0.838 . . . . 58.38 108.738 -171.809 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.22 161.95 26.03 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 121.609 0.719 . . . . 63.84 110.593 179.977 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 25' ' ' SER . . . . . . . . . . . . . 84.2 p -70.24 156.46 39.22 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.259 -0.882 . . . . 55.69 109.996 169.021 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.81 -35.03 57.5 Favored Glycine 0 C--N 1.341 0.815 0 C-N-CA 120.53 -0.843 . . . . 47.32 113.778 -179.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 27' ' ' GLY . . . . . . . . . . . . . . . -73.63 -38.45 51.01 Favored Glycine 0 C--N 1.336 0.542 0 N-CA-C 117.217 1.647 . . . . 54.22 117.217 -179.366 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 28' ' ' THR . . . . . . . . . . . . . 7.3 p -77.74 -36.07 51.14 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 119.663 1.731 . . . . 56.98 110.521 173.059 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 29' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -56.5 -33.94 66.5 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 120.709 0.29 . . . . 62.62 111.188 173.598 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.37 -48.8 21.3 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 120.315 -0.554 . . . . 55.91 110.867 -177.763 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 31' ' ' THR . . . . . . . . . . . . . 17.9 p -103.88 -31.93 9.53 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 113.964 1.098 . . . . 54.88 113.964 -164.501 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 32' ' ' SER . . . . . . . . . . . . . 1.3 m -108.01 149.58 39.29 Favored Pre-proline 0 C--N 1.411 3.262 0 C-N-CA 114.509 -2.876 . . . . 50.29 112.22 -167.173 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 33' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -67.99 148.57 76.22 Favored 'Trans proline' 0 C--N 1.332 -0.34 0 N-CA-C 110.215 -0.725 . . . . 37.48 110.215 167.86 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 34' ' ' MET . . . . . . . . . . . . . 66.4 mtm -140.0 153.93 47.0 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.607 0.718 . . . . 52.43 110.567 -173.532 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 35' ' ' GLY . . . . . . . . . . . . . . . -167.09 -157.02 10.17 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 119.509 -1.329 . . . . 32.89 113.636 179.257 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 36' ' ' TRP . . . . . . . . . . . . . 1.8 m-90 -128.61 133.85 48.41 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 114.833 -0.683 . . . . 33.98 110.238 -179.875 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 mt -115.64 155.21 28.08 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 123.788 0.835 . . . . 30.88 110.134 166.354 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 38' ' ' ARG . . . . . . . . . . . . . 37.1 ptt180 -132.91 153.69 51.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 122.346 1.07 . . . . 34.19 111.921 178.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 39' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -127.91 106.06 8.84 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 106.245 -1.761 . . . . 53.05 106.245 178.746 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 40' ' ' ALA . . . . . . . . . . . . . . . -80.79 160.47 66.52 Favored Pre-proline 0 C--O 1.239 0.501 0 C-N-CA 120.335 -0.546 . . . . 41.11 109.576 173.491 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 41' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_exo -52.24 121.48 8.99 Favored 'Trans proline' 0 N--CA 1.472 0.246 0 C-N-CA 120.422 0.748 . . . . 49.8 113.307 -176.932 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 42' ' ' GLY . . . . . . . . . . . . . . . 70.83 14.12 72.71 Favored Glycine 0 C--N 1.332 0.348 0 N-CA-C 115.675 1.03 . . . . 52.81 115.675 176.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 43' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -121.61 163.39 19.01 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 118.424 1.112 . . . . 56.37 109.774 -177.139 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.69 164.67 54.65 Favored Glycine 0 CA--C 1.527 0.842 0 C-N-CA 119.919 -1.134 . . . . 45.22 112.731 176.167 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 9.1 m -61.59 136.9 58.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.623 -0.788 . . . . 48.61 110.638 174.644 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 46' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -127.62 149.91 49.97 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.526 0.679 . . . . 59.57 109.883 174.673 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 47' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -70.17 140.11 52.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 114.607 -1.179 . . . . 29.66 110.549 176.887 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 48' ' ' VAL . . . . . . . . . . . . . 99.2 t -111.59 -70.41 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 N-CA-C 109.757 -0.46 . . . . 26.47 109.757 175.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 49' ' ' ALA . . . . . . . . . . . . . . . -149.76 167.12 27.4 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 108.903 -0.777 . . . . 30.97 108.903 -176.965 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 50' ' ' ALA . . . . . . . . . . . . . . . -161.46 148.23 14.5 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 121.922 0.867 . . . . 32.85 111.894 -175.374 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 51' ' ' ILE . . . . . . . . . . . . . 13.6 tt -139.73 145.25 27.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 CA-C-N 115.236 -0.893 . . . . 38.84 109.134 179.586 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 52' ' ' SER . . . . . . . . . . . . . 34.7 m -80.14 167.54 32.63 Favored Pre-proline 0 C--O 1.234 0.241 0 CA-C-O 121.352 0.596 . . . . 49.32 110.641 177.814 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 52' A PRO . . . . . . . . . . . . . 86.9 Cg_exo -61.56 -29.04 83.84 Favored 'Trans proline' 0 C--O 1.239 0.536 0 N-CA-C 114.043 0.747 . . . . 52.34 114.043 176.154 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 59.6 p -76.11 20.01 0.21 Allowed 'General case' 0 C--O 1.241 0.615 0 C-N-CA 124.047 0.939 . . . . 49.52 113.426 -179.606 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 54' ' ' GLY . . . . . . . . . . . . . . . 66.32 -13.63 0.38 Allowed Glycine 0 C--O 1.244 0.72 0 N-CA-C 115.241 0.856 . . . . 42.69 115.241 -173.609 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 55' ' ' GLY . . . . . . . . . . . . . . . -103.45 -169.67 25.72 Favored Glycine 0 N--CA 1.442 -0.929 0 CA-C-N 118.743 1.271 . . . . 39.76 112.523 -173.481 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 56' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 54.47 40.4 31.78 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 114.527 -0.836 . . . . 44.99 110.167 179.697 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 57' ' ' ARG . . . . . 0.434 ' NH2' ' OD2' ' K' ' 56' ' ' ASP . 71.9 mtm-85 -67.2 123.97 21.78 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 109.055 -0.72 . . . . 54.97 109.055 171.253 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' I' I ' 58' ' ' ILE . . . . . . . . . . . . . 13.1 pt -126.86 155.42 37.64 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 CA-C-O 121.533 0.683 . . . . 30.95 110.501 179.256 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 59' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -139.25 137.01 35.54 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.67 -0.696 . . . . 36.02 110.13 -172.611 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 60' ' ' ALA . . . . . . . . . . . . . . . -46.1 142.29 2.85 Favored 'General case' 0 C--O 1.237 0.398 0 O-C-N 124.099 0.874 . . . . 43.79 109.548 158.373 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 61' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -68.28 -20.28 64.77 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 115.794 -2.362 . . . . 78.6 111.782 -178.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 62' ' ' SER . . . . . . . . . . . . . 3.2 p -60.21 -30.47 69.4 Favored 'General case' 0 C--N 1.348 0.541 0 CA-C-N 118.971 0.805 . . . . 45.5 112.43 176.851 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 63' ' ' VAL . . . . . . . . . . . . . 14.2 m -115.16 -10.32 12.21 Favored 'Isoleucine or valine' 0 C--O 1.245 0.859 0 N-CA-C 112.919 0.711 . . . . 42.02 112.919 -168.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 64' ' ' LYS . . . . . . . . . . . . . 6.6 ttmt -54.73 136.9 45.54 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 118.512 0.596 . . . . 53.34 110.61 178.407 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.84 -15.84 24.03 Favored Glycine 0 C--N 1.343 0.938 0 N-CA-C 115.671 1.028 . . . . 40.93 115.671 -176.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 66' ' ' ARG . . . . . . . . . . . . . 48.8 mtm180 -110.43 -35.58 6.01 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 118.898 1.349 . . . . 40.62 112.901 172.8 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 67' ' ' PHE . . . . . . . . . . . . . 2.9 m-30 -101.17 149.79 23.62 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 109.077 -0.712 . . . . 36.14 109.077 -179.355 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 1.4 p -137.88 150.32 47.01 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 108.751 -0.833 . . . . 34.67 108.751 167.03 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 69' ' ' ILE . . . . . . . . . . . . . 19.3 tt -121.19 146.35 26.33 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.334 0 N-CA-C 106.942 -1.503 . . . . 31.34 106.942 -177.568 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 4.5 p -150.46 153.88 36.69 Favored 'General case' 0 C--N 1.276 -2.611 0 C-N-CA 115.527 -2.469 . . . . 50.2 110.767 -178.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 71' ' ' ARG . . . . . . . . . . . . . 3.6 mtm180 -97.81 148.67 23.16 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.201 -0.908 . . . . 61.51 109.905 171.704 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 72' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -102.79 114.02 27.92 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 107.095 -1.446 . . . . 85.14 107.095 175.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 73' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -52.89 -48.39 67.22 Favored 'General case' 0 C--O 1.239 0.513 0 O-C-N 123.753 0.658 . . . . 94.44 110.894 -176.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.75 -62.09 1.79 Allowed 'General case' 0 C--O 1.237 0.418 0 N-CA-C 112.166 0.432 . . . . 93.72 112.166 -169.454 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 75' ' ' GLY . . . . . . . . . . . . . . . -129.26 41.53 1.54 Allowed Glycine 0 C--N 1.332 0.329 0 N-CA-C 121.843 3.497 . . . . 80.21 121.843 -153.161 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 76' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 62.31 61.26 1.31 Allowed 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.152 1.476 . . . . 64.49 111.295 175.32 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 77' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -140.89 135.1 30.97 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 119.252 -0.979 . . . . 69.01 110.443 -178.248 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 78' ' ' ILE . . . . . . . . . . . . . 2.6 mm -115.75 144.07 24.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 107.737 -1.209 . . . . 45.51 107.737 168.502 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 79' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -128.22 148.71 50.64 Favored 'General case' 0 C--N 1.318 -0.77 0 O-C-N 124.939 1.399 . . . . 48.54 109.476 -177.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 80' ' ' LEU . . . . . . . . . . . . . 49.5 tp -121.07 123.04 41.39 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 107.32 -1.363 . . . . 30.34 107.32 171.609 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 81' ' ' GLN . . . . . 0.417 ' NE2' ' O ' ' I' ' 201' ' ' HOH . 11.9 tp60 -103.64 105.01 15.12 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 106.622 -1.622 . . . . 35.16 106.622 -176.968 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' I' I ' 82' ' ' MET . . . . . . . . . . . . . 51.4 mtp -104.53 112.22 25.2 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.513 -0.921 . . . . 45.06 108.513 -175.111 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 82' A ASN . . . . . . . . . . . . . 28.7 m-80 -116.33 163.74 15.56 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.237 -0.653 . . . . 34.86 109.237 -179.588 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 82' B SER . . . . . . . . . . . . . 39.0 m 47.7 49.72 16.11 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.722 -0.672 . . . . 47.1 111.966 -178.678 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 82' C LEU . . . . . . . . . . . . . 2.8 mm? -62.66 140.46 58.7 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.288 0.566 . . . . 47.77 111.259 -176.848 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 83' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -123.47 159.57 54.52 Favored Pre-proline 0 C--O 1.235 0.332 0 N-CA-C 109.101 -0.703 . . . . 62.16 109.101 -179.416 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 84' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -58.85 -27.04 83.01 Favored 'Trans proline' 0 N--CA 1.476 0.482 0 CA-C-N 118.378 0.456 . . . . 48.69 113.084 -178.739 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 85' ' ' GLU . . . . . 0.502 ' N ' ' OE1' ' I' ' 85' ' ' GLU . 30.7 mp0 -67.74 -11.07 57.62 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 125.454 1.502 . . . . 68.84 113.157 176.302 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' I' I ' 86' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -88.6 2.62 52.76 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 118.618 0.644 . . . . 41.53 112.346 174.905 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 87' ' ' THR . . . . . . . . . . . . . 85.2 m -66.65 114.54 5.65 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 109.434 -0.58 . . . . 33.35 109.434 176.943 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 88' ' ' ALA . . . . . . . . . . . . . . . -166.96 171.34 11.27 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 107.067 -1.457 . . . . 28.61 107.067 -174.898 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 89' ' ' VAL . . . . . . . . . . . . . 2.8 t -91.92 131.04 40.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 107.29 -1.374 . . . . 31.15 107.29 163.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 90' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -104.3 131.62 51.43 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 107.32 -1.363 . . . . 32.55 107.32 -178.119 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -125.28 131.13 53.13 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 107.696 -1.224 . . . . 43.94 107.696 179.943 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 92' ' ' CYS . . . . . . . . . . . . . 1.1 p -80.65 155.61 26.75 Favored 'General case' 0 N--CA 1.44 -0.968 0 C-N-CA 113.539 -3.265 . . . . 68.11 109.753 166.583 35.42 158.658 69.913 101.492 1.99 107.051 120.139 -162.786 1 1 . 1 . 001 ecloud orig full ' I' I ' 93' ' ' ALA . . . . . . . . . . . . . . . -147.24 151.04 36.01 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-N 115.027 -0.988 . . . . 38.18 109.499 -166.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 94' ' ' VAL . . . . . . . . . . . . . 93.5 t -114.52 127.18 72.12 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 N-CA-C 107.229 -1.397 . . . . 39.02 107.229 177.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 95' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -70.72 113.0 7.37 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 107.854 -1.165 . . . . 41.5 107.854 173.159 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 96' ' ' ARG . . . . . . . . . . . . . 53.9 mtt-85 -113.74 -24.36 9.2 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 113.133 0.79 . . . . 55.54 113.133 179.736 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 97' ' ' ARG . . . . . . . . . . . . . 42.5 mtm-85 -108.59 164.58 12.23 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.715 0.769 . . . . 36.86 109.645 176.65 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 98' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -133.4 36.09 3.41 Favored 'General case' 0 C--O 1.24 0.578 0 C-N-CA 119.002 -1.079 . . . . 35.65 111.133 179.015 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 99' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -72.18 -26.21 61.98 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 112.263 0.468 . . . . 41.57 112.263 -178.478 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 100' ' ' GLY . . . . . . . . . . . . . . . -128.12 -159.22 9.97 Favored Glycine 0 C--N 1.333 0.412 0 C-N-CA 120.62 -0.8 . . . . 37.0 114.291 -178.12 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 100' A THR . . . . . . . . . . . . . 26.8 p -74.26 175.42 7.61 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.971 0.891 . . . . 39.75 110.435 173.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 100' B SER . . . . . . . . . . . . . 1.2 m -66.7 -15.49 63.56 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 113.025 0.75 . . . . 39.37 113.025 178.371 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 100' C TYR . . . . . . . . . . . . . 39.4 m-85 -92.4 0.3 57.43 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 124.139 0.976 . . . . 36.5 112.797 -179.281 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 100' D TYR . . . . . . . . . . . . . 37.0 t80 -84.98 116.98 23.69 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 109.639 -0.504 . . . . 36.69 109.639 -170.655 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 100' E THR . . . . . . . . . . . . . 4.4 m -58.89 -35.6 73.29 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.7 -0.682 . . . . 40.17 112.571 -176.639 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 100' F GLY . . . . . . . . . . . . . . . -66.5 -21.48 70.68 Favored Glycine 0 C--N 1.341 0.856 0 C-N-CA 120.893 -0.67 . . . . 31.04 114.156 -177.614 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 100' G ASP . . . . . . . . . . . . . 51.9 m-20 -76.73 -6.54 52.62 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-N 118.017 0.909 . . . . 33.13 113.203 174.916 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 100' H TYR . . . . . . . . . . . . . 84.2 m-85 -106.94 139.0 42.04 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 119.222 0.919 . . . . 34.79 112.019 -176.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 101' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -109.72 117.95 35.25 Favored 'General case' 0 C--O 1.241 0.636 0 C-N-CA 122.996 0.518 . . . . 42.64 109.607 168.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 102' ' ' SER . . . . . . . . . . . . . 9.8 p -68.57 158.2 34.46 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 121.718 0.77 . . . . 38.51 109.834 178.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 103' ' ' TRP . . . . . . . . . . . . . 16.2 p-90 -150.78 164.64 35.71 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 118.741 -1.183 . . . . 74.53 109.934 172.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 104' ' ' GLY . . . . . . . . . . . . . . . 72.16 175.68 25.97 Favored Glycine 0 N--CA 1.45 -0.402 0 CA-C-O 122.495 1.053 . . . . 58.84 111.31 -173.075 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 105' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -81.63 142.18 32.99 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 119.347 -0.941 . . . . 70.32 109.398 171.09 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 106' ' ' GLY . . . . . . . . . . . . . . . -76.86 169.62 55.0 Favored Glycine 0 CA--C 1.528 0.888 0 CA-C-O 122.639 1.133 . . . . 43.66 113.172 178.341 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 107' ' ' THR . . . . . . . . . . . . . 85.5 m -116.59 117.57 30.22 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 108.229 -1.026 . . . . 42.41 108.229 179.069 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 108' ' ' LEU . . . . . . . . . . . . . 58.7 tp -73.51 125.59 28.28 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 119.484 -0.886 . . . . 39.05 108.925 169.167 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 109' ' ' VAL . . . . . . . . . . . . . 70.5 t -115.08 117.55 56.01 Favored 'Isoleucine or valine' 0 C--O 1.241 0.642 0 N-CA-C 106.989 -1.486 . . . . 35.48 106.989 173.538 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 110' ' ' THR . . . . . . . . . . . . . 35.6 m -110.45 124.73 52.31 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.097 -0.705 . . . . 43.29 109.097 174.967 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 111' ' ' VAL . . . . . . . . . . . . . 4.0 t -102.65 102.5 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 107.731 -1.211 . . . . 41.47 107.731 178.188 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 112' ' ' SER . . . . . . . . . . . . . 1.2 m -66.02 -178.58 0.62 Allowed 'General case' 0 CA--C 1.521 -0.164 0 C-N-CA 123.833 0.853 . . . . 60.9 110.019 175.102 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.243 0.728 0 C-N-CA 118.53 -1.268 . . . . 72.66 111.718 173.594 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.219 -0.521 0 N-CA-C 108.454 -0.943 . . . . 93.37 108.454 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 7' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -134.23 172.88 12.24 Favored 'General case' 0 C--O 1.187 -2.196 0 C-N-CA 118.952 -1.099 . . . . 76.18 111.116 178.151 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' J' J ' 8' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -91.11 151.7 20.89 Favored 'General case' 0 C--O 1.18 -2.561 0 N-CA-C 107.54 -1.282 . . . . 83.36 107.54 178.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 9' ' ' VAL . . . . . . . . . . . . . 21.6 t -123.29 146.42 28.67 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 CA-C-O 121.707 0.765 . . . . 45.95 109.956 -176.417 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 10' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -139.51 116.02 10.65 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 114.822 -1.081 . . . . 49.81 108.82 178.942 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 11' ' ' LEU . . . . . . . . . . . . . 63.4 mt -102.01 135.87 42.82 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.884 -0.413 . . . . 49.57 109.884 178.344 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 3.9 p -149.63 138.65 15.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 N-CA-C 107.959 -1.126 . . . . 44.12 107.959 -173.656 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -63.45 152.18 39.04 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.2 -0.6 . . . . 54.78 110.685 171.308 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.1 140.12 57.07 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 119.719 -0.792 . . . . 41.64 108.963 169.307 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.85 -23.07 25.23 Favored Glycine 0 N--CA 1.444 -0.787 0 CA-C-O 119.361 -0.688 . . . . 38.04 114.77 -177.013 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.79 -169.29 26.9 Favored Glycine 0 CA--C 1.521 0.431 0 CA-C-O 122.481 1.045 . . . . 38.66 112.58 177.926 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 17' ' ' SER . . . . . . . . . . . . . 38.0 p -134.19 163.79 28.81 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 121.901 0.858 . . . . 36.29 111.069 -169.413 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 mt -152.94 151.35 30.23 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 115.729 -0.669 . . . . 43.27 109.288 179.096 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 19' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -122.01 125.83 47.16 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.523 -0.547 . . . . 35.28 109.523 165.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 20' ' ' LEU . . . . . . . . . . . . . 13.8 mt -103.72 154.8 19.14 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.568 -0.901 . . . . 27.62 108.568 170.636 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 21' ' ' SER . . . . . . . . . . . . . 9.1 p -146.65 157.96 43.81 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 122.228 1.013 . . . . 30.45 110.385 -175.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 22' ' ' CYS . . . . . . . . . . . . . 3.6 t -136.17 131.1 34.21 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 106.42 -1.696 . . . . 71.36 106.42 -173.303 -154.269 111.789 74.939 107.419 2.019 106.106 161.78 33.724 1 1 . 1 . 001 ecloud orig full ' J' J ' 23' ' ' ALA . . . . . . . . . . . . . . . -109.77 143.39 39.68 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.221 0.534 . . . . 44.33 111.096 -177.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 24' ' ' ALA . . . . . . . . . . . . . . . -134.89 171.89 13.76 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 108.402 -0.962 . . . . 46.96 108.402 167.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 25' ' ' SER . . . . . . . . . . . . . 17.2 m -110.0 150.41 28.56 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.304 -0.862 . . . . 49.1 109.934 169.957 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.44 23.8 77.63 Favored Glycine 0 C--O 1.237 0.317 0 N-CA-C 116.058 1.183 . . . . 53.23 116.058 170.643 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.58 29.06 74.15 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 118.001 0.9 . . . . 52.13 115.293 176.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 28' ' ' THR . . . . . . . . . . . . . 2.4 m -48.19 -46.92 35.52 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-N 117.812 0.806 . . . . 47.64 111.73 176.759 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 29' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -69.87 -21.24 63.35 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 125.511 1.524 . . . . 51.61 114.066 -175.287 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.05 -15.63 61.5 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 119.323 0.965 . . . . 52.31 112.877 176.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 31' ' ' THR . . . . . . . . . . . . . 5.5 p -128.2 7.11 5.94 Favored 'General case' 0 C--O 1.246 0.879 0 N-CA-C 113.209 0.818 . . . . 53.01 113.209 -178.166 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 32' ' ' SER . . . . . . . . . . . . . 9.1 m -116.03 144.61 33.15 Favored Pre-proline 0 C--O 1.235 0.325 0 CA-C-N 118.361 0.528 . . . . 50.78 110.118 176.678 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 33' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -79.17 129.93 9.01 Favored 'Trans proline' 0 C--O 1.234 0.279 0 N-CA-C 109.768 -0.897 . . . . 37.36 109.768 170.212 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 34' ' ' MET . . . . . . . . . . . . . 77.1 mmm -120.57 162.56 19.42 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 124.464 1.105 . . . . 37.02 110.568 -168.376 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 35' ' ' GLY . . . . . . . . . . . . . . . -167.64 179.06 41.28 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 118.343 -1.884 . . . . 29.25 111.12 172.289 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 36' ' ' TRP . . . . . . . . . . . . . 84.7 m95 -124.79 127.8 47.76 Favored 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 124.107 0.963 . . . . 31.76 108.741 177.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 37' ' ' LEU . . . . . . . . . . . . . 12.9 mt -109.39 173.96 6.09 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-O 122.24 1.019 . . . . 31.99 110.144 167.645 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 38' ' ' ARG . . . . . . . . . . . . . 28.7 ptt180 -150.85 150.67 31.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.494 -0.775 . . . . 34.84 109.568 177.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 39' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -122.47 101.85 7.74 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 107.354 -1.351 . . . . 54.8 107.354 175.459 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.47 147.85 76.09 Favored Pre-proline 0 C--N 1.329 -0.325 0 C-N-CA 118.559 -1.256 . . . . 46.39 109.443 163.624 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 41' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -68.04 142.88 57.85 Favored 'Trans proline' 0 C--O 1.236 0.418 0 N-CA-C 110.731 -0.527 . . . . 54.58 110.731 -177.458 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 42' ' ' GLY . . . . . . . . . . . . . . . 66.93 8.34 48.21 Favored Glycine 0 N--CA 1.451 -0.34 0 CA-C-N 115.223 -0.899 . . . . 52.3 115.186 -171.947 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 43' ' ' LYS . . . . . . . . . . . . . 12.6 mtpp -125.52 166.37 16.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 118.773 1.287 . . . . 64.72 108.651 173.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.08 -179.45 46.13 Favored Glycine 0 N--CA 1.439 -1.138 0 CA-C-O 122.631 1.129 . . . . 48.15 111.025 -179.91 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 45' ' ' THR . . . . . . . . . . . . . 48.4 m -68.34 136.05 52.79 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.607 -0.886 . . . . 47.53 108.607 164.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -134.05 150.12 51.18 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.675 -0.491 . . . . 63.38 109.675 -178.579 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 47' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -80.79 144.74 31.88 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.732 -0.667 . . . . 31.52 110.604 -179.024 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 48' ' ' VAL . . . . . . . . . . . . . 43.0 t -119.42 -57.04 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 C-N-CA 120.441 -0.504 . . . . 28.08 111.775 178.568 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 49' ' ' ALA . . . . . . . . . . . . . . . -154.19 150.0 27.64 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.042 -0.725 . . . . 27.62 109.042 -171.431 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 50' ' ' ALA . . . . . . . . . . . . . . . -143.08 143.91 32.04 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 121.385 0.612 . . . . 27.24 110.774 177.961 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 51' ' ' ILE . . . . . . . . . . . . . 15.8 tt -126.4 133.61 68.31 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 N-CA-C 108.427 -0.953 . . . . 38.13 108.427 177.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 52' ' ' SER . . . . . . . . . . . . . 24.2 p -76.93 156.08 82.56 Favored Pre-proline 0 C--N 1.35 0.599 0 C-N-CA 120.303 -0.559 . . . . 47.35 110.565 179.522 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 52' A PRO . . . . . . . . . . . . . 12.2 Cg_exo -56.01 -40.98 81.63 Favored 'Trans proline' 0 C--O 1.244 0.807 0 CA-C-N 118.05 0.339 . . . . 58.14 112.467 179.469 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 53' ' ' SER . . . . . . . . . . . . . 9.8 t -49.69 -35.44 21.77 Favored 'General case' 0 C--O 1.239 0.506 0 N-CA-C 112.902 0.704 . . . . 62.12 112.902 168.054 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 54' ' ' GLY . . . . . . . . . . . . . . . 85.66 -11.43 61.77 Favored Glycine 0 C--N 1.338 0.673 0 CA-C-O 119.053 -0.859 . . . . 58.13 114.551 -166.874 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 55' ' ' GLY . . . . . . . . . . . . . . . -79.51 -13.61 82.36 Favored Glycine 0 C--N 1.342 0.863 0 N-CA-C 116.18 1.232 . . . . 59.95 116.18 -175.753 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 56' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -118.68 124.87 48.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 118.981 1.39 . . . . 60.17 107.735 177.355 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 57' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -125.78 130.29 51.15 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 109.022 -0.733 . . . . 60.42 109.022 170.129 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 58' ' ' ILE . . . . . . . . . . . . . 12.8 pt -124.16 149.43 28.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 108.575 -0.898 . . . . 33.9 108.575 176.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 59' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -136.54 139.38 42.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 114.929 -1.032 . . . . 43.58 108.808 -172.648 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.97 144.08 29.84 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-O 121.62 0.724 . . . . 45.08 109.671 164.492 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 61' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -59.01 -29.46 67.26 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.135 -0.939 . . . . 72.14 111.918 -179.941 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 62' ' ' SER . . . . . . . . . . . . . 1.3 m -58.86 -41.68 87.61 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.761 -0.375 . . . . 52.97 111.159 178.402 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 63' ' ' VAL . . . . . . . . . . . . . 2.6 m -106.29 0.25 10.05 Favored 'Isoleucine or valine' 0 C--O 1.248 0.977 0 N-CA-C 112.566 0.58 . . . . 42.59 112.566 -167.338 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.31 133.25 48.47 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.814 0.816 . . . . 63.48 110.874 -176.291 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' J' J ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.55 -13.69 50.6 Favored Glycine 0 N--CA 1.434 -1.463 0 CA-C-N 115.736 -0.666 . . . . 41.81 114.016 -173.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 66' ' ' ARG . . . . . 0.482 ' NH2' ' OD2' ' J' ' 86' ' ' ASP . 44.9 mtm180 -108.18 -29.06 9.12 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 118.012 0.906 . . . . 39.03 112.856 176.223 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' J' J ' 67' ' ' PHE . . . . . . . . . . . . . 5.4 m-30 -114.12 140.07 48.81 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.055 -0.72 . . . . 35.81 109.055 -174.289 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 68' ' ' THR . . . . . . . . . . . . . 89.0 m -127.7 130.34 48.68 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 107.951 -1.129 . . . . 44.89 107.951 176.803 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 69' ' ' ILE . . . . . . . . . . . . . 13.9 tt -105.63 143.69 16.34 Favored 'Isoleucine or valine' 0 C--O 1.239 0.512 0 N-CA-C 107.915 -1.142 . . . . 36.4 107.915 175.022 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 70' ' ' SER . . . . . . . . . . . . . 2.7 p -160.76 170.29 21.04 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 121.961 0.886 . . . . 37.69 109.91 175.86 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 71' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -121.66 146.5 46.94 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 126.341 1.856 . . . . 61.05 108.63 176.373 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 72' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -71.2 175.56 5.2 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-O 121.787 0.803 . . . . 55.39 109.722 163.484 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 73' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -68.8 -35.41 76.99 Favored 'General case' 0 C--O 1.244 0.802 0 C-N-CA 119.781 -0.768 . . . . 56.94 112.288 -170.847 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.1 -14.43 53.69 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 113.452 0.908 . . . . 51.91 113.452 -171.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.64 22.84 61.25 Favored Glycine 0 N--CA 1.443 -0.899 0 C-N-CA 120.175 -1.012 . . . . 54.46 113.823 -174.66 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 76' ' ' ASN . . . . . . . . . . . . . 56.5 m-20 -104.66 -4.14 22.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 118.284 1.042 . . . . 56.35 112.641 175.305 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 77' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -139.71 129.99 25.31 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 118.304 0.502 . . . . 46.66 111.232 175.1 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 78' ' ' ILE . . . . . . . . . . . . . 5.9 mm -103.93 142.23 17.97 Favored 'Isoleucine or valine' 0 C--N 1.346 0.426 0 N-CA-C 107.335 -1.357 . . . . 46.02 107.335 160.75 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 79' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -127.05 143.19 51.35 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 120.704 0.288 . . . . 43.83 111.537 -177.607 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 80' ' ' LEU . . . . . . . . . . . . . 33.1 tp -119.81 101.04 7.61 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 106.719 -1.585 . . . . 31.68 106.719 173.303 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 81' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -83.4 122.57 28.67 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.637 -0.875 . . . . 33.57 108.637 177.282 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 82' ' ' MET . . . . . . . . . . . . . 37.7 mtp -115.02 122.89 47.6 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 108.525 -0.917 . . . . 40.52 108.525 -177.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 82' A ASN . . . . . . . . . . . . . 75.7 m-20 -119.04 163.07 17.53 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.351 0.596 . . . . 40.37 109.92 173.05 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 82' B SER . . . . . . . . . . . . . 8.7 m 52.28 47.68 24.22 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.4 0.68 . . . . 45.91 112.696 174.476 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 82' C LEU . . . . . . . . . . . . . 24.8 mt -65.32 129.59 40.28 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.403 -0.519 . . . . 37.82 111.025 -172.197 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 83' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -105.88 159.36 29.87 Favored Pre-proline 0 N--CA 1.444 -0.758 0 C-N-CA 125.029 1.332 . . . . 57.1 109.595 173.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 84' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -63.75 -22.88 69.52 Favored 'Trans proline' 0 N--CA 1.475 0.424 0 N-CA-C 113.4 0.5 . . . . 48.13 113.4 177.652 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 85' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -63.99 -10.25 20.55 Favored 'General case' 0 C--O 1.238 0.484 0 N-CA-C 112.658 0.614 . . . . 61.66 112.658 173.236 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 86' ' ' ASP . . . . . 0.482 ' OD2' ' NH2' ' J' ' 66' ' ' ARG . 72.8 m-20 -90.96 -4.36 56.54 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.815 0.672 . . . . 42.2 112.815 179.168 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' J' J ' 87' ' ' THR . . . . . . . . . . . . . 18.5 m -59.39 111.13 1.26 Allowed 'General case' 0 C--O 1.243 0.716 0 C-N-CA 123.339 0.656 . . . . 32.44 111.424 177.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 88' ' ' ALA . . . . . . . . . . . . . . . -162.23 173.27 14.47 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 108.044 -1.095 . . . . 28.97 108.044 -177.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 89' ' ' VAL . . . . . . . . . . . . . 63.0 t -95.19 122.46 46.67 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 N-CA-C 109.063 -0.717 . . . . 29.3 109.063 163.136 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 90' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -102.07 143.42 31.93 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 124.895 1.278 . . . . 29.93 111.075 -174.554 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 91' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -138.96 131.62 28.95 Favored 'General case' 0 CA--C 1.513 -0.466 0 C-N-CA 124.18 0.992 . . . . 47.96 109.107 -177.53 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 92' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -74.51 148.56 40.85 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 118.22 -1.392 . . . . 72.54 108.665 161.603 33.724 161.78 74.939 106.106 2.019 107.419 111.789 -154.269 2 2 . 1 . 001 ecloud orig full ' J' J ' 93' ' ' ALA . . . . . . . . . . . . . . . -141.78 143.4 33.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.854 -0.612 . . . . 33.54 110.041 -178.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 94' ' ' VAL . . . . . . . . . . . . . 46.7 t -90.42 135.57 26.17 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.515 0 N-CA-C 108.157 -1.053 . . . . 44.03 108.157 171.235 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 95' ' ' ARG . . . . . . . . . . . . . 53.6 ttt180 -79.6 113.79 18.03 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 108.604 -0.887 . . . . 42.25 108.604 168.23 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 96' ' ' ARG . . . . . . . . . . . . . 14.7 mmt85 -109.38 -18.33 13.58 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 123.82 0.848 . . . . 57.61 113.16 178.911 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 97' ' ' ARG . . . . . . . . . . . . . 59.1 mtm-85 -122.64 166.96 14.03 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 121.864 0.84 . . . . 47.5 109.837 -178.598 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 98' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -140.19 38.54 1.93 Allowed 'General case' 0 C--O 1.235 0.32 0 CA-C-N 114.852 -1.067 . . . . 39.59 109.709 -178.525 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 99' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -74.33 -14.89 60.95 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 118.938 -0.554 . . . . 56.81 112.436 172.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 100' ' ' GLY . . . . . . . . . . . . . . . -134.09 -156.72 7.99 Favored Glycine 0 C--N 1.332 0.357 0 CA-C-N 118.18 0.446 . . . . 39.88 114.055 179.143 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 100' A THR . . . . . . . . . . . . . 3.5 t -85.34 -177.47 6.48 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 123.779 0.832 . . . . 53.61 109.297 170.856 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 100' B SER . . . . . . . . . . . . . 11.4 p -83.0 -5.06 58.95 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 115.675 -2.41 . . . . 37.02 111.932 -179.143 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 100' C TYR . . . . . . . . . . . . . 98.2 m-85 -77.39 -17.5 58.14 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 113.354 0.872 . . . . 42.11 113.354 168.157 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 100' D TYR . . . . . . . . . . . . . 12.1 t80 -73.74 107.7 6.15 Favored 'General case' 0 C--O 1.241 0.611 0 N-CA-C 109.134 -0.691 . . . . 35.16 109.134 -172.473 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 100' E THR . . . . . . . . . . . . . 73.0 p -61.75 -24.96 67.15 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 119.742 -0.783 . . . . 35.79 112.093 -177.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 100' F GLY . . . . . . . . . . . . . . . -65.86 -10.54 51.14 Favored Glycine 0 C--N 1.336 0.565 0 CA-C-O 118.429 -1.206 . . . . 35.16 115.243 179.851 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 100' G ASP . . . . . . . . . . . . . 47.9 m-20 -92.32 0.54 57.46 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 118.721 1.261 . . . . 39.41 113.48 178.782 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 100' H TYR . . . . . . . . . . . . . 63.8 m-85 -113.94 142.83 45.65 Favored 'General case' 0 C--N 1.339 0.143 0 CA-C-N 118.883 0.765 . . . . 36.35 110.625 -170.622 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 101' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -109.97 128.24 55.26 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 108.306 -0.998 . . . . 62.12 108.306 171.205 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 102' ' ' SER . . . . . . . . . . . . . 1.1 p -59.71 136.68 58.07 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 120.034 -0.666 . . . . 44.59 109.569 -178.601 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 103' ' ' TRP . . . . . . . . . . . . . 22.1 t-105 -102.0 94.05 5.58 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 107.43 -1.322 . . . . 49.85 107.43 179.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 104' ' ' GLY . . . . . . . . . . . . . . . 77.06 -143.44 28.68 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 119.85 -1.167 . . . . 53.67 113.549 174.656 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 105' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -103.22 133.79 47.71 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 114.845 -0.678 . . . . 69.24 112.373 -158.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 106' ' ' GLY . . . . . . . . . . . . . . . -71.78 165.48 53.76 Favored Glycine 0 C--N 1.339 0.736 0 CA-C-O 122.72 1.178 . . . . 49.21 113.868 -176.82 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 107' ' ' THR . . . . . . . . . . . . . 97.0 m -128.24 122.18 31.12 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 114.708 -0.746 . . . . 41.15 109.281 174.084 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 108' ' ' LEU . . . . . . . . . . . . . 53.5 tp -75.51 122.75 24.34 Favored 'General case' 0 C--N 1.342 0.249 0 O-C-N 123.894 0.746 . . . . 38.31 109.759 169.1 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 109' ' ' VAL . . . . . . . . . . . . . 41.6 t -113.01 122.43 67.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 N-CA-C 105.887 -1.894 . . . . 32.1 105.887 175.727 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 110' ' ' THR . . . . . . . . . . . . . 59.6 m -121.7 123.75 42.61 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.243 -1.021 . . . . 42.38 108.243 -173.447 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 111' ' ' VAL . . . . . . . . . . . . . 2.9 t -114.86 116.29 52.11 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 N-CA-C 106.834 -1.543 . . . . 48.8 106.834 -178.126 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 112' ' ' SER . . . . . . . . . . . . . 2.2 p -98.4 115.03 27.6 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.226 -0.657 . . . . 62.89 109.226 -177.977 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 113' ' ' SER . . . . . . . . . . . . . 20.5 m . . . . . 0 N--CA 1.479 0.986 0 C-N-CA 125.496 1.518 . . . . 80.82 113.672 -175.49 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' K' K ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.538 0.481 0 N-CA-C 114.012 1.116 . . . . 77.52 114.012 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 7' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -135.79 151.08 49.74 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.294 0.569 . . . . 58.6 110.492 -177.379 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' K' K ' 8' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -54.29 156.57 3.14 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.18 -0.918 . . . . 67.92 111.372 168.187 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 9' ' ' VAL . . . . . . . . . . . . . 85.3 t -132.67 133.83 59.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 N-CA-C 108.857 -0.794 . . . . 43.76 108.857 177.966 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 10' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -134.02 132.35 39.97 Favored 'General case' 0 CA--C 1.514 -0.438 0 N-CA-C 109.15 -0.685 . . . . 57.35 109.15 176.119 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mt -114.84 131.06 56.96 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.942 -1.133 . . . . 48.42 107.942 -176.346 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 4.9 m -143.38 154.05 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 107.461 -1.311 . . . . 43.4 107.461 -178.294 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 13' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -91.95 149.76 21.37 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.57 -0.9 . . . . 53.61 108.57 176.132 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.69 139.81 15.72 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.377 -0.829 . . . . 51.48 110.204 178.321 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 15' ' ' GLY . . . . . . . . . . . . . . . 86.31 -17.23 39.54 Favored Glycine 0 N--CA 1.444 -0.778 0 CA-C-O 119.451 -0.638 . . . . 45.8 114.497 -172.337 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.98 172.8 15.12 Favored Glycine 0 C--O 1.24 0.471 0 CA-C-N 117.837 0.819 . . . . 42.44 114.631 174.137 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 17' ' ' SER . . . . . . . . . . . . . 1.1 p -133.43 157.12 46.37 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.72 -0.844 . . . . 41.88 108.72 175.794 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 18' ' ' LEU . . . . . . . . . . . . . 5.0 tt -152.67 153.07 32.55 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 108.483 -0.932 . . . . 46.92 108.483 -174.619 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 19' ' ' ARG . . . . . . . . . . . . . 33.3 ttp180 -123.79 126.55 46.67 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.127 -0.629 . . . . 41.71 110.313 170.873 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 20' ' ' LEU . . . . . . . . . . . . . 17.1 mt -100.06 155.35 17.77 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.133 -0.691 . . . . 31.08 109.133 168.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 21' ' ' SER . . . . . . . . . . . . . 54.0 p -152.8 143.11 22.52 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.944 -1.132 . . . . 40.88 107.944 -177.982 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 22' ' ' CYS . . . . . . . . . . . . . 19.4 p -132.49 130.04 39.95 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 108.015 -1.106 . . . . 78.32 108.015 171.305 70.547 -172.786 115.564 102.214 2.048 105.82 -168.521 68.425 1 1 . 1 . 001 ecloud orig full ' K' K ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.27 150.22 22.72 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.585 0.707 . . . . 59.37 110.459 -172.49 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.53 150.85 22.25 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.311 -0.858 . . . . 73.38 109.268 173.133 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 25' ' ' SER . . . . . . . . . . . . . 1.7 m -63.18 -57.26 11.12 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.334 -0.848 . . . . 87.19 110.284 174.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 26' ' ' GLY . . . . . . . . . . . . . . . -138.84 91.92 0.2 Allowed Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 121.106 -0.569 . . . . 82.71 112.717 173.764 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 27' ' ' GLY . . . . . . . . . . . . . . . 47.82 26.84 4.39 Favored Glycine 0 C--N 1.338 0.661 0 N-CA-C 115.641 1.016 . . . . 75.86 115.641 177.152 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 28' ' ' THR . . . . . . . . . . . . . 95.7 m -54.41 -47.25 72.96 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 112.434 0.531 . . . . 74.59 112.434 -165.125 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 29' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -107.72 22.74 15.53 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 113.968 1.099 . . . . 68.94 113.968 -164.533 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.02 -8.08 50.87 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 119.099 -1.04 . . . . 63.18 111.131 152.91 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 31' ' ' THR . . . . . . . . . . . . . 2.7 p -127.36 -20.16 4.11 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 114.873 1.434 . . . . 69.0 114.873 -177.427 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 32' ' ' SER . . . . . . . . . . . . . 66.7 m -101.26 150.7 37.38 Favored Pre-proline 1 C--N 1.431 4.152 0 C-N-CA 118.11 -1.436 . . . . 61.06 111.236 -178.031 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' K' K ' 33' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -77.59 127.59 8.95 Favored 'Trans proline' 0 CA--C 1.536 0.615 0 CA-C-O 121.697 0.624 . . . . 43.54 111.483 174.471 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 34' ' ' MET . . . . . . . . . . . . . 33.0 mmm -128.81 149.41 50.75 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-O 121.862 0.839 . . . . 50.7 111.091 -166.135 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 35' ' ' GLY . . . . . . . . . . . . . . . -146.97 177.32 25.34 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 118.585 -1.769 . . . . 31.78 111.679 173.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 36' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -117.62 129.05 55.51 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 108.037 -1.098 . . . . 33.33 108.037 169.201 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 37' ' ' LEU . . . . . . . . . . . . . 15.0 mt -111.79 171.06 7.72 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-O 122.072 0.939 . . . . 33.03 109.604 168.564 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 38' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -149.54 154.61 39.01 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-N 115.459 -0.791 . . . . 44.06 108.955 179.778 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 39' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -118.4 95.45 4.88 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 107.249 -1.389 . . . . 68.62 107.249 175.234 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.05 149.0 98.34 Favored Pre-proline 0 C--N 1.325 -0.5 0 C-N-CA 119.935 -0.706 . . . . 53.08 110.277 171.864 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 41' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_exo -64.57 131.18 28.74 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 120.65 0.9 . . . . 60.01 111.171 -177.35 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 42' ' ' GLY . . . . . . . . . . . . . . . 63.07 -7.23 0.31 Allowed Glycine 0 C--N 1.337 0.596 0 N-CA-C 115.331 0.892 . . . . 60.65 115.331 -175.605 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 43' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -91.89 166.69 12.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 118.727 1.264 . . . . 71.12 108.028 162.669 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 44' ' ' GLY . . . . . . . . . . . . . . . -83.75 -168.0 42.94 Favored Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 119.816 -1.183 . . . . 50.36 111.496 173.011 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 45' ' ' THR . . . . . . . . . . . . . 1.4 p -74.55 134.29 42.19 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 114.796 -0.702 . . . . 49.53 109.266 174.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 46' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -124.3 156.29 37.21 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.692 0.758 . . . . 65.83 110.174 179.031 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 47' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -75.13 132.49 41.24 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 114.486 -1.233 . . . . 34.27 110.062 171.412 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 48' ' ' VAL . . . . . . . . . . . . . 91.4 t -104.53 -60.09 3.07 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 N-CA-C 111.932 0.345 . . . . 31.1 111.932 171.88 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 49' ' ' ALA . . . . . . . . . . . . . . . -155.61 159.5 39.68 Favored 'General case' 0 C--N 1.332 -0.16 0 O-C-N 121.073 -1.017 . . . . 30.41 110.043 -176.132 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 50' ' ' ALA . . . . . . . . . . . . . . . -145.99 152.15 38.92 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.468 0.651 . . . . 32.02 109.966 175.736 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 51' ' ' ILE . . . . . . . . . . . . . 6.3 tt -134.59 130.63 53.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 N-CA-C 107.887 -1.153 . . . . 41.33 107.887 -177.208 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 52' ' ' SER . . . . . . . . . . . . . 96.8 p -73.34 154.18 90.13 Favored Pre-proline 0 C--N 1.365 1.24 0 C-N-CA 122.912 0.485 . . . . 53.29 111.209 -175.476 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 52' A PRO . . . . . . . . . . . . . 24.8 Cg_exo -54.03 -42.94 62.69 Favored 'Trans proline' 0 C--N 1.28 -3.07 0 CA-C-N 119.791 0.961 . . . . 58.0 112.767 177.08 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 53' ' ' SER . . . . . . . . . . . . . 4.8 p -62.09 -43.51 98.69 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.497 0.189 . . . . 67.33 111.357 179.843 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 54' ' ' GLY . . . . . . . . . . . . . . . 122.3 -28.31 5.83 Favored Glycine 0 C--N 1.27 -3.131 0 N-CA-C 118.51 2.164 . . . . 59.87 118.51 -175.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 55' ' ' GLY . . . . . . . . . . . . . . . -61.31 -51.1 60.26 Favored Glycine 0 C--N 1.341 0.858 0 C-N-CA 120.743 -0.741 . . . . 65.16 113.423 -176.586 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 56' ' ' ASP . . . . . 0.434 ' OD2' ' NH2' ' I' ' 57' ' ' ARG . 70.3 m-20 -78.08 122.08 25.13 Favored 'General case' 0 C--O 1.235 0.304 0 O-C-N 122.164 -0.61 . . . . 64.23 111.125 -172.967 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' K' K ' 57' ' ' ARG . . . . . . . . . . . . . 15.1 mtt-85 -128.64 127.96 43.23 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 107.198 -1.408 . . . . 62.21 107.198 165.077 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 58' ' ' ILE . . . . . . . . . . . . . 4.8 pt -124.1 144.46 33.81 Favored 'Isoleucine or valine' 0 C--O 1.238 0.485 0 N-CA-C 109.408 -0.59 . . . . 40.45 109.408 177.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 59' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -127.75 142.0 51.43 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 123.512 0.725 . . . . 39.42 109.532 -176.644 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.15 141.39 46.42 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.492 -0.929 . . . . 44.61 108.492 162.521 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -55.5 -30.46 60.69 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.059 -0.656 . . . . 67.03 110.944 175.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 62' ' ' SER . . . . . 0.472 ' OG ' ' O ' ' K' ' 201' ' ' HOH . 36.7 t -48.72 -36.05 15.46 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 113.324 0.861 . . . . 52.21 113.324 175.68 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' K' K ' 63' ' ' VAL . . . . . . . . . . . . . 27.8 m -123.24 0.56 6.14 Favored 'Isoleucine or valine' 0 C--O 1.241 0.642 0 N-CA-C 113.366 0.876 . . . . 49.4 113.366 -166.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 64' ' ' LYS . . . . . . . . . . . . . 24.6 tttp -61.57 137.29 58.24 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 118.603 0.638 . . . . 55.35 111.186 -175.453 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.4 -25.72 6.17 Favored Glycine 0 N--CA 1.436 -1.314 0 CA-C-O 119.467 -0.629 . . . . 46.37 114.048 -174.334 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 66' ' ' ARG . . . . . 0.49 ' NH2' ' OD2' ' K' ' 86' ' ' ASP . 17.4 mtm180 -100.54 -37.87 8.61 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 117.893 0.847 . . . . 47.57 113.234 -175.28 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' K' K ' 67' ' ' PHE . . . . . . . . . . . . . 7.5 m-30 -105.31 156.16 18.41 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.579 -0.897 . . . . 40.27 108.579 -179.449 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 68' ' ' THR . . . . . . . . . . . . . 53.3 m -144.64 122.72 12.12 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 108.266 -1.013 . . . . 44.13 108.266 177.268 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 69' ' ' ILE . . . . . . . . . . . . . 5.4 tt -89.2 150.2 3.79 Favored 'Isoleucine or valine' 0 C--O 1.241 0.645 0 N-CA-C 108.301 -1.0 . . . . 33.1 108.301 175.146 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 70' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -158.14 159.03 35.75 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 120.092 -0.643 . . . . 45.14 110.363 -172.281 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' K' K ' 71' ' ' ARG . . . . . . . . . . . . . 10.9 mtp180 -128.48 143.45 50.98 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 115.136 -0.938 . . . . 62.88 109.564 165.488 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 72' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -74.19 167.77 20.92 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 118.14 -1.424 . . . . 52.93 109.661 167.882 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 73' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -66.77 -31.88 72.81 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 119.352 -0.939 . . . . 56.43 112.059 -173.038 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.18 -14.29 62.89 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 113.169 0.803 . . . . 56.32 113.169 -179.57 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.86 23.84 75.75 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 119.399 -1.381 . . . . 57.67 113.738 -173.539 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 76' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -100.68 -3.91 29.34 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 113.207 0.818 . . . . 58.66 113.207 177.776 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 77' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -147.05 135.14 21.51 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 118.408 0.549 . . . . 51.57 109.885 -173.632 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 78' ' ' ILE . . . . . . . . . . . . . 2.1 mm -107.05 137.08 39.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 N-CA-C 107.246 -1.39 . . . . 50.9 107.246 162.411 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 79' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -120.31 146.79 45.77 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.459 -0.571 . . . . 49.56 109.459 -178.124 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 80' ' ' LEU . . . . . . . . . . . . . 51.5 tp -126.45 107.19 10.04 Favored 'General case' 0 C--O 1.244 0.798 0 N-CA-C 106.112 -1.81 . . . . 32.4 106.112 168.57 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 81' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -93.82 114.45 26.7 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 106.768 -1.568 . . . . 37.23 106.768 -176.906 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 82' ' ' MET . . . . . . . . . . . . . 57.2 mtp -106.25 118.27 36.2 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.309 -0.997 . . . . 50.16 108.309 -174.849 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 82' A ASN . . . . . . . . . . . . . 88.2 m-20 -118.73 153.76 33.88 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-O 121.212 0.53 . . . . 46.41 109.873 176.507 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 82' B SER . . . . . . . . . . . . . 18.6 m 57.8 54.23 6.38 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.389 -0.823 . . . . 54.45 110.988 174.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 82' C LEU . . . . . . . . . . . . . 20.3 mt -68.02 141.31 56.25 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.402 -0.919 . . . . 49.58 110.531 -173.137 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 83' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -118.46 158.29 47.3 Favored Pre-proline 0 C--N 1.324 -0.51 0 C-N-CA 123.873 0.869 . . . . 58.72 109.089 175.584 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 84' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -61.78 -33.62 84.76 Favored 'Trans proline' 0 N--CA 1.48 0.687 0 N-CA-C 113.483 0.532 . . . . 45.89 113.483 -178.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 85' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -52.13 -25.28 8.54 Favored 'General case' 0 C--O 1.243 0.756 0 C-N-CA 120.515 -0.474 . . . . 71.87 112.169 173.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 86' ' ' ASP . . . . . 0.49 ' OD2' ' NH2' ' K' ' 66' ' ' ARG . 75.4 m-20 -73.49 -6.38 46.05 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 113.589 0.959 . . . . 46.43 113.589 179.579 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' K' K ' 87' ' ' THR . . . . . . . . . . . . . 37.1 m -62.43 125.68 24.73 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 119.742 1.156 . . . . 38.99 109.939 179.548 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 88' ' ' ALA . . . . . . . . . . . . . . . -174.73 165.11 3.67 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 108.776 -0.824 . . . . 34.42 108.776 -167.947 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 89' ' ' VAL . . . . . . . . . . . . . 66.8 t -95.15 118.44 41.33 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 N-CA-C 108.055 -1.091 . . . . 36.88 108.055 164.758 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 90' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -105.41 138.75 41.11 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 123.165 0.586 . . . . 32.93 109.442 -175.695 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 91' ' ' TYR . . . . . . . . . . . . . 21.1 p90 -149.11 150.55 32.9 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 119.212 -0.995 . . . . 53.01 109.168 175.562 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 92' ' ' CYS . . . . . . . . . . . . . 22.3 p -86.54 156.06 20.23 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 116.031 -2.268 . . . . 71.91 108.225 176.922 68.425 -168.521 115.564 105.82 2.048 102.214 -172.786 70.547 1 1 . 1 . 001 ecloud orig full ' K' K ' 93' ' ' ALA . . . . . . . . . . . . . . . -142.54 156.65 45.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.794 -0.639 . . . . 35.41 109.358 -175.332 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 94' ' ' VAL . . . . . . . . . . . . . 3.0 t -104.07 127.33 58.37 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.379 0 N-CA-C 108.466 -0.939 . . . . 40.67 108.466 176.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 95' ' ' ARG . . . . . . . . . . . . . 33.2 ttt180 -73.22 110.16 7.3 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 108.41 -0.959 . . . . 43.2 108.41 169.759 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 96' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -112.51 -25.05 9.36 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 114.008 1.114 . . . . 74.6 114.008 179.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 97' ' ' ARG . . . . . . . . . . . . . 47.9 mtm-85 -111.72 165.25 12.21 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 118.917 0.781 . . . . 41.48 109.656 176.549 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 98' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -137.68 30.06 2.6 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.867 -0.606 . . . . 45.68 111.789 -173.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 99' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -75.47 -11.73 60.09 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 113.71 1.004 . . . . 66.04 113.71 177.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 100' ' ' GLY . . . . . . . . . . . . . . . -130.13 -164.91 11.48 Favored Glycine 0 C--N 1.334 0.426 0 C-N-CA 120.961 -0.638 . . . . 42.13 113.192 174.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 100' A THR . . . . . . . . . . . . . 10.3 p -82.52 -171.43 3.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 122.133 0.968 . . . . 36.41 109.407 169.41 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 100' B SER . . . . . . . . . . . . . 1.0 OUTLIER -76.7 -14.43 59.95 Favored 'General case' 0 N--CA 1.453 -0.283 0 O-C-N 120.967 -1.083 . . . . 46.79 112.315 -177.943 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' K' K ' 100' C TYR . . . . . . . . . . . . . 76.2 m-85 -80.02 -11.76 59.75 Favored 'General case' 0 C--O 1.241 0.616 0 C-N-CA 123.706 0.802 . . . . 47.66 112.496 178.363 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 100' D TYR . . . . . . . . . . . . . 16.8 t80 -82.47 109.14 16.43 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 109.192 -0.67 . . . . 35.16 109.192 -171.652 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 100' E THR . . . . . . . . . . . . . 3.5 p -62.93 -25.25 68.25 Favored 'General case' 0 C--N 1.345 0.379 0 N-CA-C 112.35 0.5 . . . . 35.56 112.35 -176.552 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 100' F GLY . . . . . . . . . . . . . . . -69.11 -11.33 63.63 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 119.905 -1.141 . . . . 33.22 115.238 177.668 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 100' G ASP . . . . . . . . . . . . . 9.0 m-20 -81.0 -2.84 49.58 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-N 118.86 1.33 . . . . 42.2 113.744 177.697 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 100' H TYR . . . . . . . . . . . . . 88.0 m-85 -116.54 152.67 33.64 Favored 'General case' 0 C--N 1.342 0.259 0 C-N-CA 124.14 0.976 . . . . 36.88 110.85 -168.395 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 101' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -120.45 138.76 53.62 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 108.559 -0.904 . . . . 52.23 108.559 170.531 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 102' ' ' SER . . . . . . . . . . . . . 1.2 p -62.68 135.02 57.16 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 119.382 -0.927 . . . . 43.38 109.456 -179.601 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 103' ' ' TRP . . . . . . . . . . . . . 33.6 t-105 -109.31 -45.25 3.76 Favored 'General case' 0 CA--C 1.515 -0.402 0 N-CA-C 113.339 0.866 . . . . 56.88 113.339 -178.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 104' ' ' GLY . . . . . . . . . . . . . . . -107.29 174.89 20.06 Favored Glycine 0 N--CA 1.441 -1.023 0 CA-C-O 122.449 1.027 . . . . 55.04 111.599 179.778 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 105' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -79.76 147.05 32.02 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 114.051 -1.075 . . . . 76.56 110.104 177.277 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 106' ' ' GLY . . . . . . . . . . . . . . . -75.49 152.67 43.36 Favored Glycine 0 C--N 1.334 0.446 0 C-N-CA 120.578 -0.82 . . . . 45.12 112.416 -174.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 107' ' ' THR . . . . . . . . . . . . . 53.0 m -126.29 111.92 15.11 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 106.631 -1.618 . . . . 46.3 106.631 175.794 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 108' ' ' LEU . . . . . . . . . . . . . 18.7 tp -65.61 124.06 21.36 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.137 -1.06 . . . . 39.86 108.137 172.053 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 109' ' ' VAL . . . . . . . . . . . . . 94.5 t -114.43 118.92 60.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 105.83 -1.915 . . . . 32.91 105.83 174.941 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 110' ' ' THR . . . . . . . . . . . . . 11.5 p -117.51 122.58 44.09 Favored 'General case' 0 C--O 1.24 0.577 0 N-CA-C 107.84 -1.17 . . . . 50.6 107.84 179.238 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 111' ' ' VAL . . . . . . . . . . . . . 3.5 t -108.39 117.84 54.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 C-N-CA 124.244 1.018 . . . . 48.66 108.774 -177.349 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 112' ' ' SER . . . . . . . . . . . . . 4.9 p -97.54 131.1 44.46 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 122.985 0.514 . . . . 62.71 110.659 178.484 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 113' ' ' SER . . . . . . . . . . . . . 21.4 t . . . . . 0 C--O 1.238 0.487 0 O-C-N 123.729 0.643 . . . . 84.04 110.229 168.524 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 201' ' ' HOH . . . . . 0.738 ' O ' ' NZ ' ' H' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 201' ' ' HOH . . . . . 0.417 ' O ' ' NE2' ' I' ' 81' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' J' J ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' J' J ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' J' J ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' J' J ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' J' J ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' J' J ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' K' K ' 201' ' ' HOH . . . . . 0.472 ' O ' ' OG ' ' K' ' 62' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' K' K ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' K' K ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' K' K ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' K' K ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' K' K ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 3' ' ' ARG . . . . . 0.865 HH11 ' HG2' ' H' ' 3' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.2 -1.506 0 CA-C-O 121.508 0.671 . . . . 87.29 109.267 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' H' H ' 4' ' ' GLY . . . . . 0.713 ' HA2' HG23 ' H' ' 9' ' ' VAL . . . 153.65 169.48 18.68 Favored Glycine 0 N--CA 1.422 -2.237 0 C-N-CA 119.156 -1.497 . . . . 75.03 114.222 178.01 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' H' H ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -131.46 -69.63 0.61 Allowed 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 113.867 -1.167 . . . . 84.4 112.101 176.576 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 6' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -102.08 -8.11 21.71 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.823 0.849 . . . . 92.78 112.028 165.426 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 7' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -156.45 168.45 27.33 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 106.49 -1.67 . . . . 62.2 106.49 -168.749 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' H' H ' 8' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -72.45 153.44 41.39 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 118.813 -1.155 . . . . 66.36 110.049 175.881 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 9' ' ' VAL . . . . . 0.713 HG23 ' HA2' ' H' ' 4' ' ' GLY . 40.2 t -125.92 143.15 40.42 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 N-CA-C 109.236 -0.653 . . . . 48.54 109.236 179.612 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' H' H ' 10' ' ' GLN . . . . . . . . . . . . . 22.6 mm100 -138.77 118.52 13.15 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 106.956 -1.498 . . . . 56.4 106.956 179.669 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 mt -98.64 134.0 42.19 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 109.202 -0.666 . . . . 50.32 109.202 171.213 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 46.6 t -139.84 162.53 25.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 105.805 -1.924 . . . . 50.31 105.805 -177.083 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 13' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -112.08 151.78 29.01 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.376 -0.602 . . . . 56.95 109.376 176.224 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.6 138.98 21.62 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.084 -0.962 . . . . 53.06 110.851 -177.21 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.68 -10.04 40.5 Favored Glycine 0 N--CA 1.444 -0.772 0 N-CA-C 115.038 0.775 . . . . 47.01 115.038 -173.984 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.93 -175.75 20.98 Favored Glycine 0 CA--C 1.528 0.852 0 CA-C-O 123.019 1.344 . . . . 44.28 112.569 174.786 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 17' ' ' SER . . . . . . . . . . . . . 15.2 m -136.7 159.62 41.27 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 114.116 -1.042 . . . . 43.04 109.357 179.766 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 18' ' ' LEU . . . . . . . . . . . . . 30.2 tp -161.01 147.0 14.61 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 107.914 -1.143 . . . . 40.27 107.914 -178.565 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 19' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -121.21 107.08 12.13 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 109.376 -0.601 . . . . 55.07 109.376 -177.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 20' ' ' LEU . . . . . . . . . . . . . 59.0 mt -83.22 149.64 26.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.644 0.735 . . . . 38.9 110.014 174.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 21' ' ' SER . . . . . . . . . . . . . 1.1 t -140.65 149.22 41.99 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.516 -0.766 . . . . 49.35 108.956 -176.256 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -148.63 122.28 9.22 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 107.037 -1.468 . . . . 59.84 107.037 -170.072 155.28 136.067 66.353 103.45 2.021 104.477 170.863 68.59 2 2 . 1 . 001 ecloud build full ' H' H ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.79 150.6 40.16 Favored 'General case' 0 C--O 1.235 0.323 0 O-C-N 123.553 0.533 . . . . 60.93 110.499 -169.025 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 24' ' ' ALA . . . . . . . . . . . . . . . -126.56 -170.61 2.23 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.449 -0.796 . . . . 68.96 109.276 169.165 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 25' ' ' SER . . . . . . . . . . . . . 6.2 m -124.65 139.89 53.44 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 122.864 0.466 . . . . 64.96 109.801 178.163 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 26' ' ' GLY . . . . . . . . . . . . . . . 65.47 30.72 78.21 Favored Glycine 0 C--N 1.334 0.442 0 N-CA-C 116.719 1.448 . . . . 65.84 116.719 175.735 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.13 41.39 98.45 Favored Glycine 0 C--O 1.239 0.436 0 CA-C-N 118.24 1.02 . . . . 61.47 114.27 -178.655 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 28' ' ' THR . . . . . . . . . . . . . 20.6 m -57.44 -43.08 83.62 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-N 117.56 0.68 . . . . 64.21 111.966 -170.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 29' ' ' PHE . . . . . 0.462 ' O ' ' NH1' ' H' ' 71' ' ' ARG . 4.4 p90 -109.55 42.07 1.55 Allowed 'General case' 0 C--N 1.331 -0.227 0 O-C-N 121.743 -0.598 . . . . 64.11 112.577 -179.082 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.35 -33.58 73.31 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 120.083 -0.647 . . . . 59.85 111.573 170.301 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 31' ' ' THR . . . . . . . . . . . . . 68.5 p -92.88 -10.28 37.18 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 113.244 0.831 . . . . 58.59 113.244 177.401 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 32' ' ' SER . . . . . . . . . . . . . 1.4 m -103.9 151.75 38.93 Favored Pre-proline 0 C--O 1.238 0.493 0 C-N-CA 114.491 -2.884 . . . . 53.99 111.79 -171.315 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 33' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -76.13 150.99 34.1 Favored 'Trans proline' 0 C--N 1.331 -0.359 0 N-CA-C 110.083 -0.776 . . . . 40.05 110.083 167.932 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 34' ' ' MET . . . . . . . . . . . . . 92.8 mmm -130.92 162.3 29.98 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.229 -0.896 . . . . 44.26 109.507 -168.407 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 35' ' ' GLY . . . . . . . . . . . . . . . -161.03 176.78 37.6 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 119.333 -1.413 . . . . 32.11 112.97 178.876 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 36' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -121.39 130.66 53.73 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 114.117 -1.041 . . . . 36.95 108.204 169.784 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 37' ' ' LEU . . . . . . . . . . . . . 10.1 mt -114.2 160.71 18.7 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 123.815 0.846 . . . . 27.06 109.679 171.179 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 38' ' ' ARG . . . . . . . . . . . . . 31.8 ptt180 -143.12 147.83 35.62 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.868 0.842 . . . . 32.5 110.887 176.429 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 39' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -120.03 106.2 11.77 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 107.949 -1.13 . . . . 59.52 107.949 176.94 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 40' ' ' ALA . . . . . . . . . . . . . . . -83.27 144.64 47.1 Favored Pre-proline 0 C--N 1.322 -0.611 0 C-N-CA 118.343 -1.343 . . . . 52.62 110.007 169.836 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 41' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -49.11 131.87 26.85 Favored 'Trans proline' 0 N--CA 1.474 0.326 0 C-N-CA 120.869 1.046 . . . . 53.35 112.829 -177.578 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.09 -35.98 2.74 Favored Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 115.666 -0.697 . . . . 56.53 114.539 -173.599 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 43' ' ' LYS . . . . . 0.738 ' NZ ' ' O ' ' H' ' 201' ' ' HOH . 0.1 OUTLIER -82.37 153.14 25.91 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 122.037 0.923 . . . . 60.05 111.562 -174.39 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' H' H ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.06 163.45 37.89 Favored Glycine 0 N--CA 1.446 -0.646 0 CA-C-N 114.761 -1.109 . . . . 50.92 111.665 165.119 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 34.2 m -59.95 133.29 55.96 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.629 -0.786 . . . . 40.06 110.023 173.556 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -120.3 159.17 25.54 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 122.069 0.938 . . . . 58.97 110.641 176.22 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 47' ' ' PHE . . . . . 0.444 ' HB2' HG22 ' H' ' 100' E THR . 29.3 t80 -86.95 140.33 29.71 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-N 114.004 -1.453 . . . . 30.57 109.016 -177.534 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' H' H ' 48' ' ' VAL . . . . . . . . . . . . . 73.8 t -111.16 -66.95 1.25 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.469 0 N-CA-C 108.735 -0.839 . . . . 30.32 108.735 177.459 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 49' ' ' ALA . . . . . . . . . . . . . . . -150.96 155.06 38.32 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 109.031 -0.729 . . . . 30.37 109.031 -173.031 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 50' ' ' ALA . . . . . . . . . . . . . . . -143.69 146.83 33.5 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 115.191 -0.913 . . . . 31.06 109.216 177.571 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 51' ' ' ILE . . . . . 0.636 HG13 ' HG2' ' H' ' 57' ' ' ARG . 9.1 tt -134.93 137.86 50.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 108.587 -0.894 . . . . 35.24 108.587 -178.146 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' H' H ' 52' ' ' SER . . . . . 0.538 ' HB2' ' HB2' ' H' ' 56' ' ' ASP . 1.0 OUTLIER -80.45 167.84 29.98 Favored Pre-proline 0 C--N 1.327 -0.401 0 C-N-CA 119.501 -0.88 . . . . 51.58 111.024 -176.535 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' H' H ' 52' A PRO . . . . . 0.424 ' HD2' ' OG ' ' H' ' 52' ' ' SER . 83.7 Cg_exo -54.49 -40.33 84.01 Favored 'Trans proline' 0 C--N 1.352 0.715 0 N-CA-C 114.979 1.107 . . . . 47.83 114.979 174.37 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 4.5 p -64.95 -9.38 21.02 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 112.766 0.654 . . . . 56.46 112.766 177.754 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.87 -3.92 86.11 Favored Glycine 0 N--CA 1.442 -0.909 0 CA-C-O 119.0 -0.889 . . . . 47.17 115.236 -174.149 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 55' ' ' GLY . . . . . . . . . . . . . . . -120.56 0.01 12.37 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 118.225 2.05 . . . . 65.87 118.225 -159.376 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 56' ' ' ASP . . . . . 0.538 ' HB2' ' HB2' ' H' ' 52' ' ' SER . 17.5 m-20 -111.8 89.97 3.21 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 104.607 -2.368 . . . . 50.84 104.607 174.974 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' H' H ' 57' ' ' ARG . . . . . 0.636 ' HG2' HG13 ' H' ' 51' ' ' ILE . 77.8 mtm-85 -107.3 126.45 52.46 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.553 -0.749 . . . . 48.12 109.126 -176.357 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' H' H ' 58' ' ' ILE . . . . . 0.522 ' CD1' ' HB2' ' H' ' 100' B SER . 4.7 pt -127.62 159.54 38.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 CA-C-O 121.82 0.819 . . . . 34.43 109.537 -179.8 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' H' H ' 59' ' ' TYR . . . . . 0.424 ' OH ' ' HA ' ' H' ' 68' ' ' THR . 98.6 m-85 -146.99 130.04 16.39 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.118 -0.947 . . . . 36.23 110.359 -165.531 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' H' H ' 60' ' ' ALA . . . . . . . . . . . . . . . -45.28 135.11 6.09 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 107.972 -1.122 . . . . 39.58 107.972 160.623 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 61' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -61.16 -20.04 62.25 Favored 'General case' 0 CA--C 1.517 -0.295 0 C-N-CA 119.159 -1.017 . . . . 71.52 112.226 178.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 62' ' ' SER . . . . . . . . . . . . . 86.1 p -79.21 -1.74 37.74 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 113.571 0.952 . . . . 45.97 113.571 177.811 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 63' ' ' VAL . . . . . . . . . . . . . 32.9 m -129.82 -13.34 2.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 N-CA-C 108.51 -0.922 . . . . 38.89 108.51 178.974 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 64' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -51.91 130.87 30.4 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.863 -0.608 . . . . 53.53 109.604 179.155 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.48 -23.58 9.82 Favored Glycine 0 C--O 1.239 0.446 0 N-CA-C 115.007 0.763 . . . . 43.09 115.007 179.916 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 66' ' ' ARG . . . . . . . . . . . . . 43.3 mtm180 -98.42 -40.68 8.17 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-N 117.737 0.768 . . . . 44.2 112.915 175.081 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 67' ' ' PHE . . . . . . . . . . . . . 9.3 m-30 -100.09 155.52 17.68 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.265 -0.643 . . . . 36.42 109.265 179.556 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 68' ' ' THR . . . . . 0.424 ' HA ' ' OH ' ' H' ' 59' ' ' TYR . 22.8 p -142.31 145.54 34.08 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 108.633 -0.877 . . . . 37.97 108.633 168.491 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' H' H ' 69' ' ' ILE . . . . . . . . . . . . . 15.4 tt -113.77 151.03 15.65 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 N-CA-C 106.856 -1.535 . . . . 40.6 106.856 -176.354 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 1.9 p -153.72 175.75 12.91 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 108.655 -0.868 . . . . 46.65 108.655 175.197 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 71' ' ' ARG . . . . . 0.621 ' HB3' HG22 ' H' ' 78' ' ' ILE . 12.0 ptm180 -148.98 166.69 27.88 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.375 0.607 . . . . 53.15 109.431 172.996 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' H' H ' 72' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -80.04 178.67 8.07 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.263 -0.88 . . . . 68.87 109.135 167.46 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 73' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -101.02 -19.19 15.93 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 113.732 1.012 . . . . 74.05 113.732 -178.674 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.69 -7.97 56.36 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 113.208 0.818 . . . . 68.11 113.208 177.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.31 27.38 40.09 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-O 119.6 -0.555 . . . . 67.72 114.095 179.223 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 76' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -113.55 -18.64 11.89 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 114.028 1.122 . . . . 69.25 114.028 -177.008 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 77' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -136.28 144.41 44.75 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 118.643 0.656 . . . . 68.09 111.88 -171.98 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 78' ' ' ILE . . . . . 0.621 HG22 ' HB3' ' H' ' 71' ' ' ARG . 44.9 pt -134.39 145.83 32.15 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 N-CA-C 107.465 -1.309 . . . . 47.2 107.465 159.085 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' H' H ' 79' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -117.96 154.52 31.81 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.044 -0.725 . . . . 52.45 109.044 178.685 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 80' ' ' LEU . . . . . . . . . . . . . 48.7 tp -125.91 117.23 22.87 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 105.65 -1.981 . . . . 40.06 105.65 169.952 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 81' ' ' GLN . . . . . . . . . . . . . 39.2 tp60 -103.01 102.64 12.68 Favored 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 106.869 -1.53 . . . . 41.87 106.869 -174.995 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 82' ' ' MET . . . . . 0.53 ' HB3' HD21 ' H' ' 82' C LEU . 42.7 mtp -98.81 119.36 37.43 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.435 -0.58 . . . . 44.37 109.435 -173.632 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' H' H ' 82' A ASN . . . . . . . . . . . . . 51.8 m-80 -122.75 159.74 27.39 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 109.52 -0.548 . . . . 42.2 109.52 176.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 82' B SER . . . . . . . . . . . . . 74.2 m 59.41 43.1 16.9 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.815 -0.629 . . . . 50.02 111.97 178.783 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 82' C LEU . . . . . 0.53 HD21 ' HB3' ' H' ' 82' ' ' MET . 7.8 mt -60.13 132.82 55.12 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 119.465 -0.894 . . . . 47.5 110.405 -175.531 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' H' H ' 83' ' ' LYS . . . . . . . . . . . . . 32.6 mttm -102.9 166.87 11.13 Favored Pre-proline 0 C--N 1.371 1.528 0 C-N-CA 128.732 2.813 . . . . 53.15 109.064 171.846 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 84' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -73.11 -14.84 25.97 Favored 'Trans proline' 0 C--O 1.238 0.509 0 CA-C-N 118.84 0.621 . . . . 52.66 112.728 169.349 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 85' ' ' GLU . . . . . . . . . . . . . 26.4 mp0 -65.09 -18.7 65.52 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 112.667 0.617 . . . . 68.57 112.667 170.196 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 86' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -88.38 0.07 56.61 Favored 'General case' 0 C--O 1.239 0.515 0 N-CA-C 113.003 0.742 . . . . 45.2 113.003 -177.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 87' ' ' THR . . . . . . . . . . . . . 99.7 m -64.31 117.65 7.53 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 108.653 -0.869 . . . . 40.02 108.653 178.384 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 88' ' ' ALA . . . . . . . . . . . . . . . -172.25 170.6 5.07 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 108.03 -1.1 . . . . 30.97 108.03 -179.012 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 89' ' ' VAL . . . . . . . . . . . . . 89.1 t -88.88 123.44 41.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 N-CA-C 108.994 -0.743 . . . . 28.17 108.994 167.234 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 90' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -98.69 135.46 40.15 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.938 0.399 . . . . 26.76 111.268 -176.588 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -126.51 130.42 50.57 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.283 -0.636 . . . . 45.08 109.283 178.892 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 92' ' ' CYS . . . . . . . . . . . . . 22.0 p -76.85 157.43 31.48 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 116.228 -2.189 . . . . 63.61 108.857 161.207 68.59 170.863 66.353 104.477 2.021 103.45 136.067 155.28 1 1 . 1 . 001 ecloud build full ' H' H ' 93' ' ' ALA . . . . . . . . . . . . . . . -149.57 144.99 26.57 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.307 -0.86 . . . . 35.05 109.693 -170.0 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 94' ' ' VAL . . . . . . . . . . . . . 14.6 t -95.52 138.26 21.61 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.283 0 N-CA-C 108.134 -1.062 . . . . 36.62 108.134 170.4 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 95' ' ' ARG . . . . . 0.421 ' NH1' ' O ' ' H' ' 100' ' ' GLY . 20.9 ttt180 -80.4 109.65 15.1 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 107.944 -1.132 . . . . 38.98 107.944 168.832 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' H' H ' 96' ' ' ARG . . . . . . . . . . . . . 23.4 mtt180 -111.37 -8.25 14.33 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 114.079 1.14 . . . . 60.69 114.079 -175.583 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 97' ' ' ARG . . . . . . . . . . . . . 62.8 mtm-85 -137.96 162.24 34.6 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 106.961 -1.496 . . . . 35.01 106.961 -177.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 98' ' ' PHE . . . . . 0.41 ' CE2' ' HD3' ' H' ' 95' ' ' ARG . 85.4 m-85 -135.03 42.11 2.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.708 0.766 . . . . 38.28 110.613 -173.809 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' H' H ' 99' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -77.86 -29.03 50.21 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 120.114 -0.635 . . . . 40.17 112.694 178.714 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 100' ' ' GLY . . . . . 0.421 ' O ' ' NH1' ' H' ' 95' ' ' ARG . . . -126.33 -161.42 10.92 Favored Glycine 0 C--O 1.238 0.357 0 C-N-CA 119.401 -1.381 . . . . 36.08 113.608 178.01 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' H' H ' 100' A THR . . . . . . . . . . . . . 17.8 p -65.84 -176.59 0.39 Allowed 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 122.406 1.098 . . . . 41.2 110.85 176.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 100' B SER . . . . . 0.522 ' HB2' ' CD1' ' H' ' 58' ' ' ILE . 1.2 m -80.01 -8.6 59.44 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 116.25 -2.18 . . . . 44.85 111.826 175.381 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' H' H ' 100' C TYR . . . . . . . . . . . . . 82.9 m-85 -86.6 -4.64 59.2 Favored 'General case' 0 CA--C 1.512 -0.505 0 C-N-CA 124.539 1.136 . . . . 42.87 112.676 179.696 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 100' D TYR . . . . . . . . . . . . . 16.3 t80 -82.21 106.91 14.48 Favored 'General case' 0 C--O 1.24 0.59 0 C-N-CA 123.465 0.706 . . . . 36.42 109.504 -171.83 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 100' E THR . . . . . 0.444 HG22 ' HB2' ' H' ' 47' ' ' PHE . 11.2 p -55.25 -31.56 61.63 Favored 'General case' 0 C--N 1.348 0.515 0 C-N-CA 119.507 -0.877 . . . . 34.19 111.561 178.839 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' H' H ' 100' F GLY . . . . . . . . . . . . . . . -59.71 -24.42 59.9 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 115.558 0.983 . . . . 29.05 115.558 178.463 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 100' G ASP . . . . . . . . . . . . . 48.5 m-20 -81.02 -0.47 39.78 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-N 118.81 1.305 . . . . 33.09 113.432 178.216 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 100' H TYR . . . . . . . . . . . . . 80.3 m-85 -111.39 147.56 34.95 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.671 0.748 . . . . 30.32 111.251 -172.211 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 101' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -117.97 123.88 46.84 Favored 'General case' 0 C--O 1.241 0.63 0 N-CA-C 107.118 -1.438 . . . . 45.84 107.118 172.905 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 102' ' ' SER . . . . . . . . . . . . . 84.4 p -63.61 148.14 49.67 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 109.215 -0.661 . . . . 35.57 109.215 176.726 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 103' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 -136.63 124.13 22.17 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.127 -0.629 . . . . 51.96 110.313 -168.849 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 104' ' ' GLY . . . . . . . . . . . . . . . 89.3 -116.02 4.62 Favored Glycine 0 C--O 1.22 -0.734 0 N-CA-C 111.409 -0.676 . . . . 44.55 111.409 171.333 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 105' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -139.07 127.42 22.81 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.402 -0.592 . . . . 57.95 109.402 -170.45 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 106' ' ' GLY . . . . . . . . . . . . . . . -70.28 168.9 47.58 Favored Glycine 0 CA--C 1.522 0.494 0 CA-C-O 122.501 1.056 . . . . 34.92 112.976 -177.789 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 107' ' ' THR . . . . . . . . . . . . . 18.1 m -134.13 114.78 13.49 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 108.502 -0.925 . . . . 41.27 108.502 -177.583 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 108' ' ' LEU . . . . . . . . . . . . . 12.4 tp -78.84 118.48 20.92 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 109.315 -0.624 . . . . 38.24 109.315 174.181 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 109' ' ' VAL . . . . . . . . . . . . . 32.1 t -107.93 108.45 25.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 106.268 -1.753 . . . . 38.96 106.268 175.327 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 110' ' ' THR . . . . . . . . . . . . . 16.4 m -98.25 125.71 43.44 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 108.254 -1.017 . . . . 45.17 108.254 174.99 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 111' ' ' VAL . . . . . . . . . . . . . 3.6 t -108.09 117.89 54.6 Favored 'Isoleucine or valine' 0 C--O 1.242 0.658 0 N-CA-C 107.668 -1.234 . . . . 59.17 107.668 174.965 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 112' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -93.69 123.75 37.23 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 109.354 -0.61 . . . . 64.27 109.354 179.866 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' H' H ' 113' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.239 0.519 0 CA-C-O 121.476 0.655 . . . . 77.46 111.456 -176.736 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 6' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 . . . . . 0 C--O 1.233 0.202 0 CA-C-O 120.909 0.385 . . . . 86.86 111.592 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 7' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -84.2 158.78 21.19 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 122.432 1.111 . . . . 64.1 112.168 -169.368 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 8' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -90.98 149.31 21.9 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 114.318 -1.31 . . . . 76.03 107.611 152.452 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 9' ' ' VAL . . . . . . . . . . . . . 48.0 t -124.05 142.73 39.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 CA-C-O 121.291 0.567 . . . . 48.32 110.716 -173.379 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 10' ' ' GLN . . . . . 0.455 ' O ' HD23 ' I' ' 11' ' ' LEU . 20.6 mm-40 -137.65 127.49 25.54 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 124.945 1.298 . . . . 58.17 107.571 -178.425 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' I' I ' 11' ' ' LEU . . . . . 0.756 HD22 ' HB ' ' I' ' 110' ' ' THR . 3.6 mt -113.02 137.87 50.75 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 108.386 -0.968 . . . . 50.52 108.386 177.53 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 3.4 t -141.82 145.02 24.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 107.705 -1.22 . . . . 45.25 107.705 -169.123 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 13' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -90.71 141.02 29.23 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.944 -0.762 . . . . 67.57 108.944 173.479 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 14' ' ' ALA . . . . . . . . . . . . . . . -47.92 136.93 10.6 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.397 0.617 . . . . 48.07 111.013 178.346 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.78 -7.6 65.35 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-O 119.054 -0.859 . . . . 49.72 114.418 -175.537 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.81 -172.92 42.48 Favored Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 118.508 1.154 . . . . 38.92 112.442 175.271 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 17' ' ' SER . . . . . . . . . . . . . 5.3 m -135.1 162.08 33.5 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-O 122.121 0.962 . . . . 32.57 111.007 -177.171 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 18' ' ' LEU . . . . . . . . . . . . . 56.0 tp -160.32 137.9 9.6 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 114.606 -1.179 . . . . 41.3 108.029 -176.013 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 19' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 -111.07 125.44 53.76 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 123.444 0.465 . . . . 55.24 109.999 175.209 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 20' ' ' LEU . . . . . . . . . . . . . 43.4 mt -101.92 155.6 18.06 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 124.991 1.317 . . . . 37.43 109.537 171.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 21' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -152.22 136.63 16.77 Favored 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 109.063 -0.717 . . . . 48.32 109.063 -173.84 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' I' I ' 22' ' ' CYS . . . . . . . . . . . . . 8.7 t -131.43 132.72 44.55 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.037 -0.983 . . . . 86.26 109.023 -173.595 -162.786 120.139 69.913 107.051 1.99 101.492 158.658 35.42 1 1 . 1 . 001 ecloud build full ' I' I ' 23' ' ' ALA . . . . . . . . . . . . . . . -110.47 94.62 5.1 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.738 -0.838 . . . . 58.38 108.738 -171.809 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.22 161.95 26.03 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 121.609 0.719 . . . . 63.84 110.593 179.977 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 25' ' ' SER . . . . . . . . . . . . . 84.2 p -70.24 156.46 39.22 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.259 -0.882 . . . . 55.69 109.996 169.021 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.81 -35.03 57.5 Favored Glycine 0 C--N 1.341 0.815 0 C-N-CA 120.53 -0.843 . . . . 47.32 113.778 -179.391 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 27' ' ' GLY . . . . . . . . . . . . . . . -73.63 -38.45 51.01 Favored Glycine 0 C--N 1.336 0.542 0 N-CA-C 117.217 1.647 . . . . 54.22 117.217 -179.366 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 28' ' ' THR . . . . . . . . . . . . . 7.3 p -77.74 -36.07 51.14 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 119.663 1.731 . . . . 56.98 110.521 173.059 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 29' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -56.5 -33.94 66.5 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 120.709 0.29 . . . . 62.62 111.188 173.598 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.37 -48.8 21.3 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 120.315 -0.554 . . . . 55.91 110.867 -177.763 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 31' ' ' THR . . . . . . . . . . . . . 17.9 p -103.88 -31.93 9.53 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 113.964 1.098 . . . . 54.88 113.964 -164.501 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 32' ' ' SER . . . . . . . . . . . . . 1.3 m -108.01 149.58 39.29 Favored Pre-proline 0 C--N 1.411 3.262 0 C-N-CA 114.509 -2.876 . . . . 50.29 112.22 -167.173 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 33' ' ' PRO . . . . . 0.645 ' HG2' ' HB3' ' I' ' 95' ' ' ARG . 22.2 Cg_endo -67.99 148.57 76.22 Favored 'Trans proline' 0 C--N 1.332 -0.34 0 N-CA-C 110.215 -0.725 . . . . 37.48 110.215 167.86 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' I' I ' 34' ' ' MET . . . . . . . . . . . . . 66.4 mtm -140.0 153.93 47.0 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.607 0.718 . . . . 52.43 110.567 -173.532 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 35' ' ' GLY . . . . . . . . . . . . . . . -167.09 -157.02 10.17 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 119.509 -1.329 . . . . 32.89 113.636 179.257 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 36' ' ' TRP . . . . . 0.454 ' CZ3' HG22 ' I' ' 78' ' ' ILE . 1.8 m-90 -128.61 133.85 48.41 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 114.833 -0.683 . . . . 34.86 110.238 -179.875 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' I' I ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 mt -115.64 155.21 28.08 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 123.788 0.835 . . . . 30.88 110.134 166.354 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 38' ' ' ARG . . . . . 0.409 ' HA ' ' O ' ' I' ' 89' ' ' VAL . 37.1 ptt180 -132.91 153.69 51.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 122.346 1.07 . . . . 34.19 111.921 178.48 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' I' I ' 39' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -127.91 106.06 8.84 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 106.245 -1.761 . . . . 53.05 106.245 178.746 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 40' ' ' ALA . . . . . . . . . . . . . . . -80.79 160.47 66.52 Favored Pre-proline 0 C--O 1.239 0.501 0 C-N-CA 120.335 -0.546 . . . . 41.11 109.576 173.491 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 41' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_exo -52.24 121.48 8.99 Favored 'Trans proline' 0 N--CA 1.472 0.246 0 C-N-CA 120.422 0.748 . . . . 49.8 113.307 -176.932 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 42' ' ' GLY . . . . . . . . . . . . . . . 70.83 14.12 72.71 Favored Glycine 0 C--N 1.332 0.348 0 N-CA-C 115.675 1.03 . . . . 52.81 115.675 176.283 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 43' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -121.61 163.39 19.01 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 118.424 1.112 . . . . 56.37 109.774 -177.139 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.69 164.67 54.65 Favored Glycine 0 CA--C 1.527 0.842 0 C-N-CA 119.919 -1.134 . . . . 45.22 112.731 176.167 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 9.1 m -61.59 136.9 58.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.623 -0.788 . . . . 48.61 110.638 174.644 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 46' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -127.62 149.91 49.97 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.526 0.679 . . . . 59.57 109.883 174.673 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 47' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -70.17 140.11 52.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 114.607 -1.179 . . . . 29.66 110.549 176.887 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 48' ' ' VAL . . . . . . . . . . . . . 99.2 t -111.59 -70.41 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 N-CA-C 109.757 -0.46 . . . . 26.47 109.757 175.806 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 49' ' ' ALA . . . . . . . . . . . . . . . -149.76 167.12 27.4 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 108.903 -0.777 . . . . 30.97 108.903 -176.965 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 50' ' ' ALA . . . . . . . . . . . . . . . -161.46 148.23 14.5 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 121.922 0.867 . . . . 32.85 111.894 -175.374 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 51' ' ' ILE . . . . . 0.501 HD13 ' HG3' ' I' ' 71' ' ' ARG . 13.6 tt -139.73 145.25 27.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 CA-C-N 115.236 -0.893 . . . . 38.84 109.134 179.586 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' I' I ' 52' ' ' SER . . . . . . . . . . . . . 34.7 m -80.14 167.54 32.63 Favored Pre-proline 0 C--O 1.234 0.241 0 CA-C-O 121.352 0.596 . . . . 49.32 110.641 177.814 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 52' A PRO . . . . . . . . . . . . . 86.9 Cg_exo -61.56 -29.04 83.84 Favored 'Trans proline' 0 C--O 1.239 0.536 0 N-CA-C 114.043 0.747 . . . . 52.34 114.043 176.154 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 59.6 p -76.11 20.01 0.21 Allowed 'General case' 0 C--O 1.241 0.615 0 C-N-CA 124.047 0.939 . . . . 49.52 113.426 -179.606 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 54' ' ' GLY . . . . . . . . . . . . . . . 66.32 -13.63 0.38 Allowed Glycine 0 C--O 1.244 0.72 0 N-CA-C 115.241 0.856 . . . . 42.69 115.241 -173.609 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 55' ' ' GLY . . . . . . . . . . . . . . . -103.45 -169.67 25.72 Favored Glycine 0 N--CA 1.442 -0.929 0 CA-C-N 118.743 1.271 . . . . 39.76 112.523 -173.481 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 56' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 54.47 40.4 31.78 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 114.527 -0.836 . . . . 44.99 110.167 179.697 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 57' ' ' ARG . . . . . . . . . . . . . 71.9 mtm-85 -67.2 123.97 21.78 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 109.055 -0.72 . . . . 54.97 109.055 171.253 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 58' ' ' ILE . . . . . . . . . . . . . 13.1 pt -126.86 155.42 37.64 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 CA-C-O 121.533 0.683 . . . . 30.95 110.501 179.256 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 59' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -139.25 137.01 35.54 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.67 -0.696 . . . . 36.02 110.13 -172.611 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 60' ' ' ALA . . . . . . . . . . . . . . . -46.1 142.29 2.85 Favored 'General case' 0 C--O 1.237 0.398 0 O-C-N 124.099 0.874 . . . . 43.79 109.548 158.373 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 61' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -68.28 -20.28 64.77 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 115.794 -2.362 . . . . 78.6 111.782 -178.283 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 62' ' ' SER . . . . . . . . . . . . . 3.2 p -60.21 -30.47 69.4 Favored 'General case' 0 C--N 1.348 0.541 0 CA-C-N 118.971 0.805 . . . . 45.5 112.43 176.851 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 63' ' ' VAL . . . . . . . . . . . . . 14.2 m -115.16 -10.32 12.21 Favored 'Isoleucine or valine' 0 C--O 1.245 0.859 0 N-CA-C 112.919 0.711 . . . . 42.02 112.919 -168.894 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 64' ' ' LYS . . . . . . . . . . . . . 6.6 ttmt -54.73 136.9 45.54 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 118.512 0.596 . . . . 53.34 110.61 178.407 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.84 -15.84 24.03 Favored Glycine 0 C--N 1.343 0.938 0 N-CA-C 115.671 1.028 . . . . 40.93 115.671 -176.812 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 66' ' ' ARG . . . . . . . . . . . . . 48.8 mtm180 -110.43 -35.58 6.01 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 118.898 1.349 . . . . 40.62 112.901 172.8 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 67' ' ' PHE . . . . . . . . . . . . . 2.9 m-30 -101.17 149.79 23.62 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 109.077 -0.712 . . . . 36.14 109.077 -179.355 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 1.4 p -137.88 150.32 47.01 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 108.751 -0.833 . . . . 34.67 108.751 167.03 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 69' ' ' ILE . . . . . . . . . . . . . 19.3 tt -121.19 146.35 26.33 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.334 0 N-CA-C 106.942 -1.503 . . . . 31.34 106.942 -177.568 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 4.5 p -150.46 153.88 36.69 Favored 'General case' 0 C--N 1.276 -2.611 0 C-N-CA 115.527 -2.469 . . . . 50.2 110.767 -178.615 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 71' ' ' ARG . . . . . 0.501 ' HG3' HD13 ' I' ' 51' ' ' ILE . 3.6 mtm180 -97.81 148.67 23.16 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.201 -0.908 . . . . 61.51 109.905 171.704 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' I' I ' 72' ' ' ASP . . . . . 0.674 ' HB2' ' HE2' ' I' ' 79' ' ' TYR . 45.5 t0 -102.79 114.02 27.92 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 107.095 -1.446 . . . . 85.14 107.095 175.682 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' I' I ' 73' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -52.89 -48.39 67.22 Favored 'General case' 0 C--O 1.239 0.513 0 O-C-N 123.753 0.658 . . . . 94.44 110.894 -176.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.75 -62.09 1.79 Allowed 'General case' 0 C--O 1.237 0.418 0 N-CA-C 112.166 0.432 . . . . 93.72 112.166 -169.454 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 75' ' ' GLY . . . . . . . . . . . . . . . -129.26 41.53 1.54 Allowed Glycine 0 C--N 1.332 0.329 0 N-CA-C 121.843 3.497 . . . . 80.21 121.843 -153.161 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 76' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 62.31 61.26 1.31 Allowed 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.152 1.476 . . . . 64.49 111.295 175.32 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 77' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -140.89 135.1 30.97 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 119.252 -0.979 . . . . 69.01 110.443 -178.248 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 78' ' ' ILE . . . . . 0.454 HG22 ' CZ3' ' I' ' 36' ' ' TRP . 2.6 mm -115.75 144.07 24.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 107.737 -1.209 . . . . 45.51 107.737 168.502 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' I' I ' 79' ' ' TYR . . . . . 0.674 ' HE2' ' HB2' ' I' ' 72' ' ' ASP . 61.6 m-85 -128.22 148.71 50.64 Favored 'General case' 0 C--N 1.318 -0.77 0 O-C-N 124.939 1.399 . . . . 48.54 109.476 -177.682 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' I' I ' 80' ' ' LEU . . . . . . . . . . . . . 49.5 tp -121.07 123.04 41.39 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 107.32 -1.363 . . . . 30.34 107.32 171.609 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 81' ' ' GLN . . . . . . . . . . . . . 11.9 tp60 -103.64 105.01 15.12 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 106.622 -1.622 . . . . 35.16 106.622 -176.968 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 82' ' ' MET . . . . . . . . . . . . . 51.4 mtp -104.53 112.22 25.2 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.513 -0.921 . . . . 45.06 108.513 -175.111 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 82' A ASN . . . . . . . . . . . . . 28.7 m-80 -116.33 163.74 15.56 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.237 -0.653 . . . . 34.86 109.237 -179.588 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 82' B SER . . . . . . . . . . . . . 39.0 m 47.7 49.72 16.11 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.722 -0.672 . . . . 47.1 111.966 -178.678 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 82' C LEU . . . . . . . . . . . . . 2.8 mm? -62.66 140.46 58.7 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.288 0.566 . . . . 47.77 111.259 -176.848 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 83' ' ' LYS . . . . . 0.433 ' HE2' ' HB2' ' I' ' 83' ' ' LYS . 3.8 mtmt -123.47 159.57 54.52 Favored Pre-proline 0 C--O 1.235 0.332 0 N-CA-C 109.101 -0.703 . . . . 62.16 109.101 -179.416 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' I' I ' 84' ' ' PRO . . . . . 0.457 ' HA ' ' HB ' ' I' ' 111' ' ' VAL . 53.3 Cg_exo -58.85 -27.04 83.01 Favored 'Trans proline' 0 N--CA 1.476 0.482 0 CA-C-N 118.378 0.456 . . . . 48.69 113.084 -178.739 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' I' I ' 85' ' ' GLU . . . . . 0.4 ' OE1' ' N ' ' I' ' 85' ' ' GLU . 30.7 mp0 -67.74 -11.07 57.62 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 125.454 1.502 . . . . 68.84 113.157 176.302 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' I' I ' 86' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -88.6 2.62 52.76 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 118.618 0.644 . . . . 41.53 112.346 174.905 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 87' ' ' THR . . . . . . . . . . . . . 85.2 m -66.65 114.54 5.65 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 109.434 -0.58 . . . . 33.35 109.434 176.943 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 88' ' ' ALA . . . . . . . . . . . . . . . -166.96 171.34 11.27 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 107.067 -1.457 . . . . 28.61 107.067 -174.898 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 89' ' ' VAL . . . . . 0.409 ' O ' ' HA ' ' I' ' 38' ' ' ARG . 2.8 t -91.92 131.04 40.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 107.29 -1.374 . . . . 31.15 107.29 163.812 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' I' I ' 90' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -104.3 131.62 51.43 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 107.32 -1.363 . . . . 32.55 107.32 -178.119 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -125.28 131.13 53.13 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 107.696 -1.224 . . . . 43.94 107.696 179.943 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 92' ' ' CYS . . . . . . . . . . . . . 1.1 p -80.65 155.61 26.75 Favored 'General case' 0 N--CA 1.44 -0.968 0 C-N-CA 113.539 -3.265 . . . . 68.11 109.753 166.583 35.42 158.658 69.913 101.492 1.99 107.051 120.139 -162.786 1 1 . 1 . 001 ecloud build full ' I' I ' 93' ' ' ALA . . . . . . . . . . . . . . . -147.24 151.04 36.01 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-N 115.027 -0.988 . . . . 38.18 109.499 -166.719 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 94' ' ' VAL . . . . . . . . . . . . . 93.5 t -114.52 127.18 72.12 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 N-CA-C 107.229 -1.397 . . . . 39.02 107.229 177.894 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 95' ' ' ARG . . . . . 0.645 ' HB3' ' HG2' ' I' ' 33' ' ' PRO . 47.6 ttt180 -70.72 113.0 7.37 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 107.854 -1.165 . . . . 41.5 107.854 173.159 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' I' I ' 96' ' ' ARG . . . . . . . . . . . . . 53.9 mtt-85 -113.74 -24.36 9.2 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 113.133 0.79 . . . . 55.54 113.133 179.736 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 97' ' ' ARG . . . . . . . . . . . . . 42.5 mtm-85 -108.59 164.58 12.23 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.715 0.769 . . . . 36.86 109.645 176.65 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 98' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -133.4 36.09 3.41 Favored 'General case' 0 C--O 1.24 0.578 0 C-N-CA 119.002 -1.079 . . . . 35.65 111.133 179.015 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 99' ' ' ASP . . . . . 0.465 ' OD1' HG21 ' J' ' 100' A THR . 65.0 m-20 -72.18 -26.21 61.98 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 112.263 0.468 . . . . 41.57 112.263 -178.478 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' I' I ' 100' ' ' GLY . . . . . . . . . . . . . . . -128.12 -159.22 9.97 Favored Glycine 0 C--N 1.333 0.412 0 C-N-CA 120.62 -0.8 . . . . 37.0 114.291 -178.12 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 100' A THR . . . . . . . . . . . . . 26.8 p -74.26 175.42 7.61 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.971 0.891 . . . . 39.75 110.435 173.812 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 100' B SER . . . . . . . . . . . . . 1.2 m -66.7 -15.49 63.56 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 113.025 0.75 . . . . 39.37 113.025 178.371 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 100' C TYR . . . . . . . . . . . . . 39.4 m-85 -92.4 0.3 57.43 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 124.139 0.976 . . . . 36.5 112.797 -179.281 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 100' D TYR . . . . . . . . . . . . . 37.0 t80 -84.98 116.98 23.69 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 109.639 -0.504 . . . . 36.69 109.639 -170.655 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 100' E THR . . . . . . . . . . . . . 4.4 m -58.89 -35.6 73.29 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.7 -0.682 . . . . 40.17 112.571 -176.639 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 100' F GLY . . . . . . . . . . . . . . . -66.5 -21.48 70.68 Favored Glycine 0 C--N 1.341 0.856 0 C-N-CA 120.893 -0.67 . . . . 31.04 114.156 -177.614 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 100' G ASP . . . . . . . . . . . . . 51.9 m-20 -76.73 -6.54 52.62 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-N 118.017 0.909 . . . . 33.13 113.203 174.916 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 100' H TYR . . . . . . . . . . . . . 84.2 m-85 -106.94 139.0 42.04 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 119.222 0.919 . . . . 34.79 112.019 -176.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 101' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -109.72 117.95 35.25 Favored 'General case' 0 C--O 1.241 0.636 0 C-N-CA 122.996 0.518 . . . . 42.64 109.607 168.726 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 102' ' ' SER . . . . . . . . . . . . . 9.8 p -68.57 158.2 34.46 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 121.718 0.77 . . . . 38.51 109.834 178.812 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 103' ' ' TRP . . . . . . . . . . . . . 16.2 p-90 -150.78 164.64 35.71 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 118.741 -1.183 . . . . 74.53 109.934 172.908 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 104' ' ' GLY . . . . . . . . . . . . . . . 72.16 175.68 25.97 Favored Glycine 0 N--CA 1.45 -0.402 0 CA-C-O 122.495 1.053 . . . . 58.84 111.31 -173.075 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 105' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -81.63 142.18 32.99 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 119.347 -0.941 . . . . 70.32 109.398 171.09 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 106' ' ' GLY . . . . . . . . . . . . . . . -76.86 169.62 55.0 Favored Glycine 0 CA--C 1.528 0.888 0 CA-C-O 122.639 1.133 . . . . 43.66 113.172 178.341 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 107' ' ' THR . . . . . . . . . . . . . 85.5 m -116.59 117.57 30.22 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 108.229 -1.026 . . . . 42.41 108.229 179.069 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 108' ' ' LEU . . . . . . . . . . . . . 58.7 tp -73.51 125.59 28.28 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 119.484 -0.886 . . . . 39.05 108.925 169.167 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 109' ' ' VAL . . . . . . . . . . . . . 70.5 t -115.08 117.55 56.01 Favored 'Isoleucine or valine' 0 C--O 1.241 0.642 0 N-CA-C 106.989 -1.486 . . . . 35.48 106.989 173.538 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 110' ' ' THR . . . . . 0.756 ' HB ' HD22 ' I' ' 11' ' ' LEU . 35.6 m -110.45 124.73 52.31 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.097 -0.705 . . . . 43.29 109.097 174.967 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' I' I ' 111' ' ' VAL . . . . . 0.457 ' HB ' ' HA ' ' I' ' 84' ' ' PRO . 4.0 t -102.65 102.5 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 107.731 -1.211 . . . . 41.47 107.731 178.188 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' I' I ' 112' ' ' SER . . . . . . . . . . . . . 1.2 m -66.02 -178.58 0.62 Allowed 'General case' 0 CA--C 1.521 -0.164 0 C-N-CA 123.833 0.853 . . . . 60.9 110.019 175.102 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.243 0.728 0 C-N-CA 118.53 -1.268 . . . . 72.66 111.718 173.594 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.219 -0.521 0 N-CA-C 108.454 -0.943 . . . . 93.37 108.454 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 7' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -134.23 172.88 12.24 Favored 'General case' 0 C--O 1.187 -2.196 0 C-N-CA 118.952 -1.099 . . . . 76.18 111.116 178.151 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' J' J ' 8' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -91.11 151.7 20.89 Favored 'General case' 0 C--O 1.18 -2.561 0 N-CA-C 107.54 -1.282 . . . . 83.36 107.54 178.781 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 9' ' ' VAL . . . . . . . . . . . . . 21.6 t -123.29 146.42 28.67 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 CA-C-O 121.707 0.765 . . . . 45.95 109.956 -176.417 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 10' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -139.51 116.02 10.65 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 114.822 -1.081 . . . . 49.81 108.82 178.942 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 11' ' ' LEU . . . . . 0.686 HD23 ' HB ' ' J' ' 110' ' ' THR . 63.4 mt -102.01 135.87 42.82 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.884 -0.413 . . . . 49.57 109.884 178.344 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' J' J ' 12' ' ' VAL . . . . . 0.46 HG11 HD13 ' J' ' 82' C LEU . 3.9 p -149.63 138.65 15.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 N-CA-C 107.959 -1.126 . . . . 44.12 107.959 -173.656 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' J' J ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -63.45 152.18 39.04 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.2 -0.6 . . . . 54.78 110.685 171.308 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.1 140.12 57.07 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 119.719 -0.792 . . . . 41.64 108.963 169.307 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.85 -23.07 25.23 Favored Glycine 0 N--CA 1.444 -0.787 0 CA-C-O 119.361 -0.688 . . . . 38.04 114.77 -177.013 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.79 -169.29 26.9 Favored Glycine 0 CA--C 1.521 0.431 0 CA-C-O 122.481 1.045 . . . . 38.66 112.58 177.926 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 17' ' ' SER . . . . . . . . . . . . . 38.0 p -134.19 163.79 28.81 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 121.901 0.858 . . . . 36.29 111.069 -169.413 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 18' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' J' ' 18' ' ' LEU . 1.1 mt -152.94 151.35 30.23 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 115.729 -0.669 . . . . 43.27 109.288 179.096 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' J' J ' 19' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -122.01 125.83 47.16 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.523 -0.547 . . . . 35.28 109.523 165.83 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 20' ' ' LEU . . . . . . . . . . . . . 13.8 mt -103.72 154.8 19.14 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.568 -0.901 . . . . 27.62 108.568 170.636 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 21' ' ' SER . . . . . . . . . . . . . 9.1 p -146.65 157.96 43.81 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 122.228 1.013 . . . . 30.45 110.385 -175.362 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 22' ' ' CYS . . . . . 0.414 ' O ' ' HA ' ' J' ' 77' ' ' PHE . 3.6 t -136.17 131.1 34.21 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 106.42 -1.696 . . . . 71.36 106.42 -173.303 -154.269 111.789 74.939 107.419 2.019 106.106 161.78 33.724 2 2 . 1 . 001 ecloud build full ' J' J ' 23' ' ' ALA . . . . . . . . . . . . . . . -109.77 143.39 39.68 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.221 0.534 . . . . 44.33 111.096 -177.741 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 24' ' ' ALA . . . . . . . . . . . . . . . -134.89 171.89 13.76 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 108.402 -0.962 . . . . 46.96 108.402 167.812 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 25' ' ' SER . . . . . . . . . . . . . 17.2 m -110.0 150.41 28.56 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.304 -0.862 . . . . 49.1 109.934 169.957 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.44 23.8 77.63 Favored Glycine 0 C--O 1.237 0.317 0 N-CA-C 116.058 1.183 . . . . 53.23 116.058 170.643 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.58 29.06 74.15 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 118.001 0.9 . . . . 52.13 115.293 176.64 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 28' ' ' THR . . . . . . . . . . . . . 2.4 m -48.19 -46.92 35.52 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-N 117.812 0.806 . . . . 47.64 111.73 176.759 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 29' ' ' PHE . . . . . 0.598 ' HB3' HD11 ' J' ' 78' ' ' ILE . 21.0 m-85 -69.87 -21.24 63.35 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 125.511 1.524 . . . . 51.61 114.066 -175.287 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.05 -15.63 61.5 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 119.323 0.965 . . . . 52.31 112.877 176.744 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 31' ' ' THR . . . . . . . . . . . . . 5.5 p -128.2 7.11 5.94 Favored 'General case' 0 C--O 1.246 0.879 0 N-CA-C 113.209 0.818 . . . . 53.01 113.209 -178.166 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 32' ' ' SER . . . . . . . . . . . . . 9.1 m -116.03 144.61 33.15 Favored Pre-proline 0 C--O 1.235 0.325 0 CA-C-N 118.361 0.528 . . . . 50.78 110.118 176.678 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 33' ' ' PRO . . . . . 0.534 ' HG2' ' HB3' ' J' ' 95' ' ' ARG . 73.0 Cg_endo -79.17 129.93 9.01 Favored 'Trans proline' 0 C--O 1.234 0.279 0 N-CA-C 109.768 -0.897 . . . . 37.36 109.768 170.212 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' J' J ' 34' ' ' MET . . . . . 0.423 ' SD ' HG22 ' J' ' 94' ' ' VAL . 77.1 mmm -120.57 162.56 19.42 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 124.464 1.105 . . . . 37.02 110.568 -168.376 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' J' J ' 35' ' ' GLY . . . . . . . . . . . . . . . -167.64 179.06 41.28 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 118.343 -1.884 . . . . 29.25 111.12 172.289 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 36' ' ' TRP . . . . . . . . . . . . . 84.7 m95 -124.79 127.8 47.76 Favored 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 124.107 0.963 . . . . 31.76 108.741 177.885 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 37' ' ' LEU . . . . . . . . . . . . . 12.9 mt -109.39 173.96 6.09 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-O 122.24 1.019 . . . . 31.99 110.144 167.645 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 38' ' ' ARG . . . . . 0.518 ' HG2' ' HG3' ' J' ' 46' ' ' GLU . 28.7 ptt180 -150.85 150.67 31.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.494 -0.775 . . . . 34.84 109.568 177.593 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' J' J ' 39' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -122.47 101.85 7.74 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 107.354 -1.351 . . . . 54.8 107.354 175.459 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 40' ' ' ALA . . . . . 0.423 ' HB3' ' HE3' ' J' ' 43' ' ' LYS . . . -77.47 147.85 76.09 Favored Pre-proline 0 C--N 1.329 -0.325 0 C-N-CA 118.559 -1.256 . . . . 46.39 109.443 163.624 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' J' J ' 41' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -68.04 142.88 57.85 Favored 'Trans proline' 0 C--O 1.236 0.418 0 N-CA-C 110.731 -0.527 . . . . 54.58 110.731 -177.458 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 42' ' ' GLY . . . . . . . . . . . . . . . 66.93 8.34 48.21 Favored Glycine 0 N--CA 1.451 -0.34 0 CA-C-N 115.223 -0.899 . . . . 52.3 115.186 -171.947 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 43' ' ' LYS . . . . . 0.423 ' HE3' ' HB3' ' J' ' 40' ' ' ALA . 12.6 mtpp -125.52 166.37 16.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 118.773 1.287 . . . . 64.72 108.651 173.805 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' J' J ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.08 -179.45 46.13 Favored Glycine 0 N--CA 1.439 -1.138 0 CA-C-O 122.631 1.129 . . . . 48.15 111.025 -179.91 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 45' ' ' THR . . . . . . . . . . . . . 48.4 m -68.34 136.05 52.79 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.607 -0.886 . . . . 47.53 108.607 164.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 46' ' ' GLU . . . . . 0.518 ' HG3' ' HG2' ' J' ' 38' ' ' ARG . 2.6 pt-20 -134.05 150.12 51.18 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.675 -0.491 . . . . 63.38 109.675 -178.579 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' J' J ' 47' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -80.79 144.74 31.88 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.732 -0.667 . . . . 31.52 110.604 -179.024 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 48' ' ' VAL . . . . . . . . . . . . . 43.0 t -119.42 -57.04 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 C-N-CA 120.441 -0.504 . . . . 28.08 111.775 178.568 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 49' ' ' ALA . . . . . . . . . . . . . . . -154.19 150.0 27.64 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.042 -0.725 . . . . 27.62 109.042 -171.431 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 50' ' ' ALA . . . . . 0.5 ' HB3' HG12 ' J' ' 58' ' ' ILE . . . -143.08 143.91 32.04 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 121.385 0.612 . . . . 27.24 110.774 177.961 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' J' J ' 51' ' ' ILE . . . . . . . . . . . . . 15.8 tt -126.4 133.61 68.31 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 N-CA-C 108.427 -0.953 . . . . 38.13 108.427 177.806 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 52' ' ' SER . . . . . . . . . . . . . 24.2 p -76.93 156.08 82.56 Favored Pre-proline 0 C--N 1.35 0.599 0 C-N-CA 120.303 -0.559 . . . . 47.35 110.565 179.522 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 52' A PRO . . . . . . . . . . . . . 12.2 Cg_exo -56.01 -40.98 81.63 Favored 'Trans proline' 0 C--O 1.244 0.807 0 CA-C-N 118.05 0.339 . . . . 58.14 112.467 179.469 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 53' ' ' SER . . . . . . . . . . . . . 9.8 t -49.69 -35.44 21.77 Favored 'General case' 0 C--O 1.239 0.506 0 N-CA-C 112.902 0.704 . . . . 62.12 112.902 168.054 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 54' ' ' GLY . . . . . . . . . . . . . . . 85.66 -11.43 61.77 Favored Glycine 0 C--N 1.338 0.673 0 CA-C-O 119.053 -0.859 . . . . 58.13 114.551 -166.874 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 55' ' ' GLY . . . . . . . . . . . . . . . -79.51 -13.61 82.36 Favored Glycine 0 C--N 1.342 0.863 0 N-CA-C 116.18 1.232 . . . . 59.95 116.18 -175.753 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 56' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -118.68 124.87 48.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 118.981 1.39 . . . . 60.17 107.735 177.355 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 57' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -125.78 130.29 51.15 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 109.022 -0.733 . . . . 60.42 109.022 170.129 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 58' ' ' ILE . . . . . 0.5 HG12 ' HB3' ' J' ' 50' ' ' ALA . 12.8 pt -124.16 149.43 28.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 108.575 -0.898 . . . . 33.9 108.575 176.87 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' J' J ' 59' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -136.54 139.38 42.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 114.929 -1.032 . . . . 43.58 108.808 -172.648 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.97 144.08 29.84 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-O 121.62 0.724 . . . . 45.08 109.671 164.492 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 61' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -59.01 -29.46 67.26 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.135 -0.939 . . . . 72.14 111.918 -179.941 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 62' ' ' SER . . . . . . . . . . . . . 1.3 m -58.86 -41.68 87.61 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.761 -0.375 . . . . 52.97 111.159 178.402 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 63' ' ' VAL . . . . . . . . . . . . . 2.6 m -106.29 0.25 10.05 Favored 'Isoleucine or valine' 0 C--O 1.248 0.977 0 N-CA-C 112.566 0.58 . . . . 42.59 112.566 -167.338 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.31 133.25 48.47 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.814 0.816 . . . . 63.48 110.874 -176.291 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' J' J ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.55 -13.69 50.6 Favored Glycine 0 N--CA 1.434 -1.463 0 CA-C-N 115.736 -0.666 . . . . 41.81 114.016 -173.976 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 66' ' ' ARG . . . . . . . . . . . . . 44.9 mtm180 -108.18 -29.06 9.12 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 118.012 0.906 . . . . 39.03 112.856 176.223 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 67' ' ' PHE . . . . . . . . . . . . . 5.4 m-30 -114.12 140.07 48.81 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.055 -0.72 . . . . 35.81 109.055 -174.289 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 68' ' ' THR . . . . . . . . . . . . . 89.0 m -127.7 130.34 48.68 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 107.951 -1.129 . . . . 44.89 107.951 176.803 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 69' ' ' ILE . . . . . . . . . . . . . 13.9 tt -105.63 143.69 16.34 Favored 'Isoleucine or valine' 0 C--O 1.239 0.512 0 N-CA-C 107.915 -1.142 . . . . 36.4 107.915 175.022 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 70' ' ' SER . . . . . . . . . . . . . 2.7 p -160.76 170.29 21.04 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 121.961 0.886 . . . . 37.69 109.91 175.86 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 71' ' ' ARG . . . . . 0.853 ' HG2' HD13 ' J' ' 78' ' ' ILE . 4.1 mtp180 -121.66 146.5 46.94 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 126.341 1.856 . . . . 61.05 108.63 176.373 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' J' J ' 72' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -71.2 175.56 5.2 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-O 121.787 0.803 . . . . 55.39 109.722 163.484 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 73' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -68.8 -35.41 76.99 Favored 'General case' 0 C--O 1.244 0.802 0 C-N-CA 119.781 -0.768 . . . . 56.94 112.288 -170.847 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.1 -14.43 53.69 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 113.452 0.908 . . . . 51.91 113.452 -171.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.64 22.84 61.25 Favored Glycine 0 N--CA 1.443 -0.899 0 C-N-CA 120.175 -1.012 . . . . 54.46 113.823 -174.66 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 76' ' ' ASN . . . . . . . . . . . . . 56.5 m-20 -104.66 -4.14 22.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 118.284 1.042 . . . . 56.35 112.641 175.305 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 77' ' ' PHE . . . . . 0.414 ' HA ' ' O ' ' J' ' 22' ' ' CYS . 66.0 m-85 -139.71 129.99 25.31 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 118.304 0.502 . . . . 46.66 111.232 175.1 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' J' J ' 78' ' ' ILE . . . . . 0.853 HD13 ' HG2' ' J' ' 71' ' ' ARG . 5.9 mm -103.93 142.23 17.97 Favored 'Isoleucine or valine' 0 C--N 1.346 0.426 0 N-CA-C 107.335 -1.357 . . . . 46.02 107.335 160.75 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' J' J ' 79' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -127.05 143.19 51.35 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 120.704 0.288 . . . . 43.83 111.537 -177.607 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 80' ' ' LEU . . . . . . . . . . . . . 33.1 tp -119.81 101.04 7.61 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 106.719 -1.585 . . . . 31.68 106.719 173.303 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 81' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -83.4 122.57 28.67 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.637 -0.875 . . . . 33.57 108.637 177.282 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 82' ' ' MET . . . . . . . . . . . . . 37.7 mtp -115.02 122.89 47.6 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 108.525 -0.917 . . . . 40.52 108.525 -177.64 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 82' A ASN . . . . . . . . . . . . . 75.7 m-20 -119.04 163.07 17.53 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.351 0.596 . . . . 40.37 109.92 173.05 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 82' B SER . . . . . . . . . . . . . 8.7 m 52.28 47.68 24.22 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.4 0.68 . . . . 45.91 112.696 174.476 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 82' C LEU . . . . . 0.46 HD13 HG11 ' J' ' 12' ' ' VAL . 24.8 mt -65.32 129.59 40.28 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.403 -0.519 . . . . 37.82 111.025 -172.197 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' J' J ' 83' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -105.88 159.36 29.87 Favored Pre-proline 0 N--CA 1.444 -0.758 0 C-N-CA 125.029 1.332 . . . . 57.1 109.595 173.945 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 84' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -63.75 -22.88 69.52 Favored 'Trans proline' 0 N--CA 1.475 0.424 0 N-CA-C 113.4 0.5 . . . . 48.13 113.4 177.652 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 85' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -63.99 -10.25 20.55 Favored 'General case' 0 C--O 1.238 0.484 0 N-CA-C 112.658 0.614 . . . . 61.66 112.658 173.236 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 86' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -90.96 -4.36 56.54 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.815 0.672 . . . . 42.2 112.815 179.168 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 87' ' ' THR . . . . . . . . . . . . . 18.5 m -59.39 111.13 1.26 Allowed 'General case' 0 C--O 1.243 0.716 0 C-N-CA 123.339 0.656 . . . . 32.44 111.424 177.868 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 88' ' ' ALA . . . . . . . . . . . . . . . -162.23 173.27 14.47 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 108.044 -1.095 . . . . 28.97 108.044 -177.765 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 89' ' ' VAL . . . . . . . . . . . . . 63.0 t -95.19 122.46 46.67 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 N-CA-C 109.063 -0.717 . . . . 29.3 109.063 163.136 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 90' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -102.07 143.42 31.93 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 124.895 1.278 . . . . 29.93 111.075 -174.554 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 91' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -138.96 131.62 28.95 Favored 'General case' 0 CA--C 1.513 -0.466 0 C-N-CA 124.18 0.992 . . . . 47.96 109.107 -177.53 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 92' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -74.51 148.56 40.85 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 118.22 -1.392 . . . . 72.54 108.665 161.603 33.724 161.78 74.939 106.106 2.019 107.419 111.789 -154.269 2 2 . 1 . 001 ecloud build full ' J' J ' 93' ' ' ALA . . . . . 0.503 ' HB1' ' HB3' ' J' ' 100' H TYR . . . -141.78 143.4 33.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.854 -0.612 . . . . 33.54 110.041 -178.822 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' J' J ' 94' ' ' VAL . . . . . 0.423 HG22 ' SD ' ' J' ' 34' ' ' MET . 46.7 t -90.42 135.57 26.17 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.515 0 N-CA-C 108.157 -1.053 . . . . 44.03 108.157 171.235 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' J' J ' 95' ' ' ARG . . . . . 0.534 ' HB3' ' HG2' ' J' ' 33' ' ' PRO . 53.6 ttt180 -79.6 113.79 18.03 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 108.604 -0.887 . . . . 42.25 108.604 168.23 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' J' J ' 96' ' ' ARG . . . . . . . . . . . . . 14.7 mmt85 -109.38 -18.33 13.58 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 123.82 0.848 . . . . 57.61 113.16 178.911 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 97' ' ' ARG . . . . . . . . . . . . . 59.1 mtm-85 -122.64 166.96 14.03 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 121.864 0.84 . . . . 47.5 109.837 -178.598 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 98' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -140.19 38.54 1.93 Allowed 'General case' 0 C--O 1.235 0.32 0 CA-C-N 114.852 -1.067 . . . . 39.59 109.709 -178.525 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 99' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -74.33 -14.89 60.95 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 118.938 -0.554 . . . . 56.81 112.436 172.713 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 100' ' ' GLY . . . . . . . . . . . . . . . -134.09 -156.72 7.99 Favored Glycine 0 C--N 1.332 0.357 0 CA-C-N 118.18 0.446 . . . . 39.88 114.055 179.143 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 100' A THR . . . . . 0.75 HG23 ' H ' ' J' ' 100' C TYR . 3.5 t -85.34 -177.47 6.48 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 123.779 0.832 . . . . 53.61 109.297 170.856 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' J' J ' 100' B SER . . . . . . . . . . . . . 11.4 p -83.0 -5.06 58.95 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 115.675 -2.41 . . . . 37.02 111.932 -179.143 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 100' C TYR . . . . . 0.75 ' H ' HG23 ' J' ' 100' A THR . 98.2 m-85 -77.39 -17.5 58.14 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 113.354 0.872 . . . . 42.11 113.354 168.157 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' J' J ' 100' D TYR . . . . . . . . . . . . . 12.1 t80 -73.74 107.7 6.15 Favored 'General case' 0 C--O 1.241 0.611 0 N-CA-C 109.134 -0.691 . . . . 35.16 109.134 -172.473 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 100' E THR . . . . . . . . . . . . . 73.0 p -61.75 -24.96 67.15 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 119.742 -0.783 . . . . 35.79 112.093 -177.394 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 100' F GLY . . . . . . . . . . . . . . . -65.86 -10.54 51.14 Favored Glycine 0 C--N 1.336 0.565 0 CA-C-O 118.429 -1.206 . . . . 35.16 115.243 179.851 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 100' G ASP . . . . . . . . . . . . . 47.9 m-20 -92.32 0.54 57.46 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 118.721 1.261 . . . . 39.41 113.48 178.782 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 100' H TYR . . . . . 0.503 ' HB3' ' HB1' ' J' ' 93' ' ' ALA . 63.8 m-85 -113.94 142.83 45.65 Favored 'General case' 0 C--N 1.339 0.143 0 CA-C-N 118.883 0.765 . . . . 36.35 110.625 -170.622 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' J' J ' 101' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -109.97 128.24 55.26 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 108.306 -0.998 . . . . 62.12 108.306 171.205 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 102' ' ' SER . . . . . . . . . . . . . 1.1 p -59.71 136.68 58.07 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 120.034 -0.666 . . . . 44.59 109.569 -178.601 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 103' ' ' TRP . . . . . . . . . . . . . 22.1 t-105 -102.0 94.05 5.58 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 107.43 -1.322 . . . . 49.85 107.43 179.71 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 104' ' ' GLY . . . . . . . . . . . . . . . 77.06 -143.44 28.68 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 119.85 -1.167 . . . . 53.67 113.549 174.656 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 105' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -103.22 133.79 47.71 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 114.845 -0.678 . . . . 69.24 112.373 -158.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 106' ' ' GLY . . . . . . . . . . . . . . . -71.78 165.48 53.76 Favored Glycine 0 C--N 1.339 0.736 0 CA-C-O 122.72 1.178 . . . . 49.21 113.868 -176.82 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 107' ' ' THR . . . . . . . . . . . . . 97.0 m -128.24 122.18 31.12 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 114.708 -0.746 . . . . 41.15 109.281 174.084 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 108' ' ' LEU . . . . . . . . . . . . . 53.5 tp -75.51 122.75 24.34 Favored 'General case' 0 C--N 1.342 0.249 0 O-C-N 123.894 0.746 . . . . 38.31 109.759 169.1 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 109' ' ' VAL . . . . . . . . . . . . . 41.6 t -113.01 122.43 67.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 N-CA-C 105.887 -1.894 . . . . 32.1 105.887 175.727 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 110' ' ' THR . . . . . 0.686 ' HB ' HD23 ' J' ' 11' ' ' LEU . 59.6 m -121.7 123.75 42.61 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.243 -1.021 . . . . 42.38 108.243 -173.447 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' J' J ' 111' ' ' VAL . . . . . . . . . . . . . 2.9 t -114.86 116.29 52.11 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 N-CA-C 106.834 -1.543 . . . . 48.8 106.834 -178.126 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 112' ' ' SER . . . . . . . . . . . . . 2.2 p -98.4 115.03 27.6 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.226 -0.657 . . . . 62.89 109.226 -177.977 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 113' ' ' SER . . . . . . . . . . . . . 20.5 m . . . . . 0 N--CA 1.479 0.986 0 C-N-CA 125.496 1.518 . . . . 80.82 113.672 -175.49 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' K' K ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.538 0.481 0 N-CA-C 114.012 1.116 . . . . 77.52 114.012 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 7' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -135.79 151.08 49.74 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.294 0.569 . . . . 58.6 110.492 -177.379 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' K' K ' 8' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -54.29 156.57 3.14 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.18 -0.918 . . . . 67.92 111.372 168.187 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 9' ' ' VAL . . . . . . . . . . . . . 85.3 t -132.67 133.83 59.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 N-CA-C 108.857 -0.794 . . . . 43.76 108.857 177.966 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 10' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -134.02 132.35 39.97 Favored 'General case' 0 CA--C 1.514 -0.438 0 N-CA-C 109.15 -0.685 . . . . 57.35 109.15 176.119 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mt -114.84 131.06 56.96 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.942 -1.133 . . . . 48.42 107.942 -176.346 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 12' ' ' VAL . . . . . 0.64 HG21 HD13 ' K' ' 82' C LEU . 4.9 m -143.38 154.05 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 107.461 -1.311 . . . . 43.4 107.461 -178.294 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' K' K ' 13' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -91.95 149.76 21.37 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.57 -0.9 . . . . 53.61 108.57 176.132 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.69 139.81 15.72 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.377 -0.829 . . . . 51.48 110.204 178.321 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 15' ' ' GLY . . . . . . . . . . . . . . . 86.31 -17.23 39.54 Favored Glycine 0 N--CA 1.444 -0.778 0 CA-C-O 119.451 -0.638 . . . . 45.8 114.497 -172.337 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.98 172.8 15.12 Favored Glycine 0 C--O 1.24 0.471 0 CA-C-N 117.837 0.819 . . . . 42.44 114.631 174.137 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 17' ' ' SER . . . . . 0.433 ' HB2' ' HA ' ' K' ' 82' A ASN . 1.1 p -133.43 157.12 46.37 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.72 -0.844 . . . . 41.88 108.72 175.794 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' K' K ' 18' ' ' LEU . . . . . . . . . . . . . 5.0 tt -152.67 153.07 32.55 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 108.483 -0.932 . . . . 46.92 108.483 -174.619 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 19' ' ' ARG . . . . . . . . . . . . . 33.3 ttp180 -123.79 126.55 46.67 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.127 -0.629 . . . . 41.71 110.313 170.873 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 20' ' ' LEU . . . . . . . . . . . . . 17.1 mt -100.06 155.35 17.77 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.133 -0.691 . . . . 31.08 109.133 168.945 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 21' ' ' SER . . . . . . . . . . . . . 54.0 p -152.8 143.11 22.52 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.944 -1.132 . . . . 40.88 107.944 -177.982 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 22' ' ' CYS . . . . . . . . . . . . . 19.4 p -132.49 130.04 39.95 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 108.015 -1.106 . . . . 78.32 108.015 171.305 70.547 -172.786 115.564 102.214 2.048 105.82 -168.521 68.425 1 1 . 1 . 001 ecloud build full ' K' K ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.27 150.22 22.72 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.585 0.707 . . . . 59.37 110.459 -172.49 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.53 150.85 22.25 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.311 -0.858 . . . . 73.38 109.268 173.133 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 25' ' ' SER . . . . . . . . . . . . . 1.7 m -63.18 -57.26 11.12 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.334 -0.848 . . . . 87.19 110.284 174.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 26' ' ' GLY . . . . . . . . . . . . . . . -138.84 91.92 0.2 Allowed Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 121.106 -0.569 . . . . 82.71 112.717 173.764 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 27' ' ' GLY . . . . . . . . . . . . . . . 47.82 26.84 4.39 Favored Glycine 0 C--N 1.338 0.661 0 N-CA-C 115.641 1.016 . . . . 75.86 115.641 177.152 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 28' ' ' THR . . . . . . . . . . . . . 95.7 m -54.41 -47.25 72.96 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 112.434 0.531 . . . . 74.59 112.434 -165.125 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 29' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -107.72 22.74 15.53 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 113.968 1.099 . . . . 68.94 113.968 -164.533 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' K' K ' 30' ' ' ALA . . . . . 0.483 ' HB2' ' HA3' ' K' ' 75' ' ' GLY . . . -71.02 -8.08 50.87 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 119.099 -1.04 . . . . 63.18 111.131 152.91 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' K' K ' 31' ' ' THR . . . . . 0.407 ' O ' ' HB3' ' K' ' 52' A PRO . 2.7 p -127.36 -20.16 4.11 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 114.873 1.434 . . . . 69.0 114.873 -177.427 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' K' K ' 32' ' ' SER . . . . . . . . . . . . . 66.7 m -101.26 150.7 37.38 Favored Pre-proline 1 C--N 1.431 4.152 0 C-N-CA 118.11 -1.436 . . . . 61.06 111.236 -178.031 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' K' K ' 33' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -77.59 127.59 8.95 Favored 'Trans proline' 0 CA--C 1.536 0.615 0 CA-C-O 121.697 0.624 . . . . 43.54 111.483 174.471 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 34' ' ' MET . . . . . . . . . . . . . 33.0 mmm -128.81 149.41 50.75 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-O 121.862 0.839 . . . . 50.7 111.091 -166.135 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 35' ' ' GLY . . . . . . . . . . . . . . . -146.97 177.32 25.34 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 118.585 -1.769 . . . . 31.78 111.679 173.265 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 36' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -117.62 129.05 55.51 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 108.037 -1.098 . . . . 33.33 108.037 169.201 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 37' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' K' ' 47' ' ' PHE . 15.0 mt -111.79 171.06 7.72 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-O 122.072 0.939 . . . . 33.03 109.604 168.564 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' K' K ' 38' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -149.54 154.61 39.01 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-N 115.459 -0.791 . . . . 44.06 108.955 179.778 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 39' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -118.4 95.45 4.88 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 107.249 -1.389 . . . . 68.62 107.249 175.234 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 40' ' ' ALA . . . . . 0.595 ' HB3' ' HB2' ' K' ' 43' ' ' LYS . . . -68.05 149.0 98.34 Favored Pre-proline 0 C--N 1.325 -0.5 0 C-N-CA 119.935 -0.706 . . . . 53.08 110.277 171.864 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' K' K ' 41' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_exo -64.57 131.18 28.74 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 120.65 0.9 . . . . 60.01 111.171 -177.35 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 42' ' ' GLY . . . . . . . . . . . . . . . 63.07 -7.23 0.31 Allowed Glycine 0 C--N 1.337 0.596 0 N-CA-C 115.331 0.892 . . . . 60.65 115.331 -175.605 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 43' ' ' LYS . . . . . 0.595 ' HB2' ' HB3' ' K' ' 40' ' ' ALA . 1.2 mptt -91.89 166.69 12.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 118.727 1.264 . . . . 71.12 108.028 162.669 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' K' K ' 44' ' ' GLY . . . . . . . . . . . . . . . -83.75 -168.0 42.94 Favored Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 119.816 -1.183 . . . . 50.36 111.496 173.011 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 45' ' ' THR . . . . . . . . . . . . . 1.4 p -74.55 134.29 42.19 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 114.796 -0.702 . . . . 49.53 109.266 174.391 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 46' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -124.3 156.29 37.21 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.692 0.758 . . . . 65.83 110.174 179.031 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 47' ' ' PHE . . . . . 0.411 ' HA ' HD23 ' K' ' 37' ' ' LEU . 85.3 t80 -75.13 132.49 41.24 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 114.486 -1.233 . . . . 34.27 110.062 171.412 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' K' K ' 48' ' ' VAL . . . . . . . . . . . . . 91.4 t -104.53 -60.09 3.07 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 N-CA-C 111.932 0.345 . . . . 31.1 111.932 171.88 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 49' ' ' ALA . . . . . . . . . . . . . . . -155.61 159.5 39.68 Favored 'General case' 0 C--N 1.332 -0.16 0 O-C-N 121.073 -1.017 . . . . 30.41 110.043 -176.132 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 50' ' ' ALA . . . . . . . . . . . . . . . -145.99 152.15 38.92 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.468 0.651 . . . . 32.02 109.966 175.736 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 51' ' ' ILE . . . . . . . . . . . . . 6.3 tt -134.59 130.63 53.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 N-CA-C 107.887 -1.153 . . . . 41.33 107.887 -177.208 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 52' ' ' SER . . . . . 0.687 ' HB3' ' HB2' ' K' ' 56' ' ' ASP . 96.8 p -73.34 154.18 90.13 Favored Pre-proline 0 C--N 1.365 1.24 0 C-N-CA 122.912 0.485 . . . . 53.29 111.209 -175.476 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' K' K ' 52' A PRO . . . . . 0.407 ' HB3' ' O ' ' K' ' 31' ' ' THR . 24.8 Cg_exo -54.03 -42.94 62.69 Favored 'Trans proline' 0 C--N 1.28 -3.07 0 CA-C-N 119.791 0.961 . . . . 58.0 112.767 177.08 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' K' K ' 53' ' ' SER . . . . . . . . . . . . . 4.8 p -62.09 -43.51 98.69 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.497 0.189 . . . . 67.33 111.357 179.843 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 54' ' ' GLY . . . . . . . . . . . . . . . 122.3 -28.31 5.83 Favored Glycine 0 C--N 1.27 -3.131 0 N-CA-C 118.51 2.164 . . . . 59.87 118.51 -175.602 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 55' ' ' GLY . . . . . . . . . . . . . . . -61.31 -51.1 60.26 Favored Glycine 0 C--N 1.341 0.858 0 C-N-CA 120.743 -0.741 . . . . 65.16 113.423 -176.586 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 56' ' ' ASP . . . . . 0.687 ' HB2' ' HB3' ' K' ' 52' ' ' SER . 70.3 m-20 -78.08 122.08 25.13 Favored 'General case' 0 C--O 1.235 0.304 0 O-C-N 122.164 -0.61 . . . . 64.23 111.125 -172.967 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' K' K ' 57' ' ' ARG . . . . . . . . . . . . . 15.1 mtt-85 -128.64 127.96 43.23 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 107.198 -1.408 . . . . 62.21 107.198 165.077 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 58' ' ' ILE . . . . . 0.491 HD11 ' HB3' ' K' ' 100' B SER . 4.8 pt -124.1 144.46 33.81 Favored 'Isoleucine or valine' 0 C--O 1.238 0.485 0 N-CA-C 109.408 -0.59 . . . . 40.45 109.408 177.64 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' K' K ' 59' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -127.75 142.0 51.43 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 123.512 0.725 . . . . 39.42 109.532 -176.644 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.15 141.39 46.42 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.492 -0.929 . . . . 44.61 108.492 162.521 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -55.5 -30.46 60.69 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.059 -0.656 . . . . 67.03 110.944 175.706 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 62' ' ' SER . . . . . 0.472 ' OG ' ' O ' ' K' ' 201' ' ' HOH . 36.7 t -48.72 -36.05 15.46 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 113.324 0.861 . . . . 52.21 113.324 175.68 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' K' K ' 63' ' ' VAL . . . . . . . . . . . . . 27.8 m -123.24 0.56 6.14 Favored 'Isoleucine or valine' 0 C--O 1.241 0.642 0 N-CA-C 113.366 0.876 . . . . 49.4 113.366 -166.21 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 64' ' ' LYS . . . . . . . . . . . . . 24.6 tttp -61.57 137.29 58.24 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 118.603 0.638 . . . . 55.35 111.186 -175.453 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.4 -25.72 6.17 Favored Glycine 0 N--CA 1.436 -1.314 0 CA-C-O 119.467 -0.629 . . . . 46.37 114.048 -174.334 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 66' ' ' ARG . . . . . . . . . . . . . 17.4 mtm180 -100.54 -37.87 8.61 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 117.893 0.847 . . . . 47.57 113.234 -175.28 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 67' ' ' PHE . . . . . . . . . . . . . 7.5 m-30 -105.31 156.16 18.41 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.579 -0.897 . . . . 40.27 108.579 -179.449 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 68' ' ' THR . . . . . . . . . . . . . 53.3 m -144.64 122.72 12.12 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 108.266 -1.013 . . . . 44.13 108.266 177.268 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 69' ' ' ILE . . . . . . . . . . . . . 5.4 tt -89.2 150.2 3.79 Favored 'Isoleucine or valine' 0 C--O 1.241 0.645 0 N-CA-C 108.301 -1.0 . . . . 33.1 108.301 175.146 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 70' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -158.14 159.03 35.75 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 120.092 -0.643 . . . . 45.14 110.363 -172.281 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' K' K ' 71' ' ' ARG . . . . . 0.429 ' HD2' ' O ' ' K' ' 206' ' ' HOH . 10.9 mtp180 -128.48 143.45 50.98 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 115.136 -0.938 . . . . 62.88 109.564 165.488 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' K' K ' 72' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -74.19 167.77 20.92 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 118.14 -1.424 . . . . 52.93 109.661 167.882 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 73' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -66.77 -31.88 72.81 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 119.352 -0.939 . . . . 56.43 112.059 -173.038 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.18 -14.29 62.89 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 113.169 0.803 . . . . 56.32 113.169 -179.57 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 75' ' ' GLY . . . . . 0.483 ' HA3' ' HB2' ' K' ' 30' ' ' ALA . . . 68.86 23.84 75.75 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 119.399 -1.381 . . . . 57.67 113.738 -173.539 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' K' K ' 76' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -100.68 -3.91 29.34 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 113.207 0.818 . . . . 58.66 113.207 177.776 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 77' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -147.05 135.14 21.51 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 118.408 0.549 . . . . 51.57 109.885 -173.632 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 78' ' ' ILE . . . . . . . . . . . . . 2.1 mm -107.05 137.08 39.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 N-CA-C 107.246 -1.39 . . . . 50.9 107.246 162.411 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 79' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -120.31 146.79 45.77 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.459 -0.571 . . . . 49.56 109.459 -178.124 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 80' ' ' LEU . . . . . . . . . . . . . 51.5 tp -126.45 107.19 10.04 Favored 'General case' 0 C--O 1.244 0.798 0 N-CA-C 106.112 -1.81 . . . . 32.4 106.112 168.57 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 81' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -93.82 114.45 26.7 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 106.768 -1.568 . . . . 37.23 106.768 -176.906 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 82' ' ' MET . . . . . . . . . . . . . 57.2 mtp -106.25 118.27 36.2 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.309 -0.997 . . . . 50.16 108.309 -174.849 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 82' A ASN . . . . . 0.433 ' HA ' ' HB2' ' K' ' 17' ' ' SER . 88.2 m-20 -118.73 153.76 33.88 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-O 121.212 0.53 . . . . 46.41 109.873 176.507 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' K' K ' 82' B SER . . . . . . . . . . . . . 18.6 m 57.8 54.23 6.38 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.389 -0.823 . . . . 54.45 110.988 174.796 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 82' C LEU . . . . . 0.64 HD13 HG21 ' K' ' 12' ' ' VAL . 20.3 mt -68.02 141.31 56.25 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.402 -0.919 . . . . 49.58 110.531 -173.137 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' K' K ' 83' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -118.46 158.29 47.3 Favored Pre-proline 0 C--N 1.324 -0.51 0 C-N-CA 123.873 0.869 . . . . 58.72 109.089 175.584 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 84' ' ' PRO . . . . . 0.452 ' HA ' ' HB ' ' K' ' 111' ' ' VAL . 32.8 Cg_exo -61.78 -33.62 84.76 Favored 'Trans proline' 0 N--CA 1.48 0.687 0 N-CA-C 113.483 0.532 . . . . 45.89 113.483 -178.535 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' K' K ' 85' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -52.13 -25.28 8.54 Favored 'General case' 0 C--O 1.243 0.756 0 C-N-CA 120.515 -0.474 . . . . 71.87 112.169 173.286 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 86' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -73.49 -6.38 46.05 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 113.589 0.959 . . . . 46.43 113.589 179.579 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 87' ' ' THR . . . . . . . . . . . . . 37.1 m -62.43 125.68 24.73 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 119.742 1.156 . . . . 38.99 109.939 179.548 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 88' ' ' ALA . . . . . . . . . . . . . . . -174.73 165.11 3.67 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 108.776 -0.824 . . . . 34.42 108.776 -167.947 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 89' ' ' VAL . . . . . . . . . . . . . 66.8 t -95.15 118.44 41.33 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 N-CA-C 108.055 -1.091 . . . . 36.88 108.055 164.758 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 90' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -105.41 138.75 41.11 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 123.165 0.586 . . . . 32.93 109.442 -175.695 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 91' ' ' TYR . . . . . . . . . . . . . 21.1 p90 -149.11 150.55 32.9 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 119.212 -0.995 . . . . 53.01 109.168 175.562 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 92' ' ' CYS . . . . . . . . . . . . . 22.3 p -86.54 156.06 20.23 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 116.031 -2.268 . . . . 71.91 108.225 176.922 68.425 -168.521 115.564 105.82 2.048 102.214 -172.786 70.547 1 1 . 1 . 001 ecloud build full ' K' K ' 93' ' ' ALA . . . . . . . . . . . . . . . -142.54 156.65 45.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.794 -0.639 . . . . 35.41 109.358 -175.332 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 94' ' ' VAL . . . . . 0.538 HG23 ' HB2' ' K' ' 103' ' ' TRP . 3.0 t -104.07 127.33 58.37 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.379 0 N-CA-C 108.466 -0.939 . . . . 40.67 108.466 176.886 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' K' K ' 95' ' ' ARG . . . . . . . . . . . . . 33.2 ttt180 -73.22 110.16 7.3 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 108.41 -0.959 . . . . 43.2 108.41 169.759 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 96' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -112.51 -25.05 9.36 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 114.008 1.114 . . . . 74.6 114.008 179.939 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 97' ' ' ARG . . . . . . . . . . . . . 47.9 mtm-85 -111.72 165.25 12.21 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 118.917 0.781 . . . . 41.48 109.656 176.549 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 98' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -137.68 30.06 2.6 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.867 -0.606 . . . . 45.68 111.789 -173.912 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 99' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -75.47 -11.73 60.09 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 113.71 1.004 . . . . 66.04 113.71 177.265 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 100' ' ' GLY . . . . . . . . . . . . . . . -130.13 -164.91 11.48 Favored Glycine 0 C--N 1.334 0.426 0 C-N-CA 120.961 -0.638 . . . . 42.13 113.192 174.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 100' A THR . . . . . . . . . . . . . 10.3 p -82.52 -171.43 3.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 122.133 0.968 . . . . 36.41 109.407 169.41 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 100' B SER . . . . . 0.491 ' HB3' HD11 ' K' ' 58' ' ' ILE . 1.0 OUTLIER -76.7 -14.43 59.95 Favored 'General case' 0 N--CA 1.453 -0.283 0 O-C-N 120.967 -1.083 . . . . 46.79 112.315 -177.943 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' K' K ' 100' C TYR . . . . . . . . . . . . . 76.2 m-85 -80.02 -11.76 59.75 Favored 'General case' 0 C--O 1.241 0.616 0 C-N-CA 123.706 0.802 . . . . 47.66 112.496 178.363 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 100' D TYR . . . . . . . . . . . . . 16.8 t80 -82.47 109.14 16.43 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 109.192 -0.67 . . . . 35.16 109.192 -171.652 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 100' E THR . . . . . . . . . . . . . 3.5 p -62.93 -25.25 68.25 Favored 'General case' 0 C--N 1.345 0.379 0 N-CA-C 112.35 0.5 . . . . 35.56 112.35 -176.552 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 100' F GLY . . . . . . . . . . . . . . . -69.11 -11.33 63.63 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 119.905 -1.141 . . . . 33.22 115.238 177.668 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 100' G ASP . . . . . . . . . . . . . 9.0 m-20 -81.0 -2.84 49.58 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-N 118.86 1.33 . . . . 42.2 113.744 177.697 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 100' H TYR . . . . . . . . . . . . . 88.0 m-85 -116.54 152.67 33.64 Favored 'General case' 0 C--N 1.342 0.259 0 C-N-CA 124.14 0.976 . . . . 36.88 110.85 -168.395 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 101' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -120.45 138.76 53.62 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 108.559 -0.904 . . . . 52.23 108.559 170.531 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 102' ' ' SER . . . . . . . . . . . . . 1.2 p -62.68 135.02 57.16 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 119.382 -0.927 . . . . 43.38 109.456 -179.601 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 103' ' ' TRP . . . . . 0.538 ' HB2' HG23 ' K' ' 94' ' ' VAL . 33.6 t-105 -109.31 -45.25 3.76 Favored 'General case' 0 CA--C 1.515 -0.402 0 N-CA-C 113.339 0.866 . . . . 56.88 113.339 -178.744 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' K' K ' 104' ' ' GLY . . . . . . . . . . . . . . . -107.29 174.89 20.06 Favored Glycine 0 N--CA 1.441 -1.023 0 CA-C-O 122.449 1.027 . . . . 55.04 111.599 179.778 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 105' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -79.76 147.05 32.02 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 114.051 -1.075 . . . . 76.56 110.104 177.277 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 106' ' ' GLY . . . . . . . . . . . . . . . -75.49 152.67 43.36 Favored Glycine 0 C--N 1.334 0.446 0 C-N-CA 120.578 -0.82 . . . . 45.12 112.416 -174.765 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 107' ' ' THR . . . . . . . . . . . . . 53.0 m -126.29 111.92 15.11 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 106.631 -1.618 . . . . 46.3 106.631 175.794 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 108' ' ' LEU . . . . . . . . . . . . . 18.7 tp -65.61 124.06 21.36 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.137 -1.06 . . . . 39.86 108.137 172.053 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 109' ' ' VAL . . . . . . . . . . . . . 94.5 t -114.43 118.92 60.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 105.83 -1.915 . . . . 32.91 105.83 174.941 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 110' ' ' THR . . . . . . . . . . . . . 11.5 p -117.51 122.58 44.09 Favored 'General case' 0 C--O 1.24 0.577 0 N-CA-C 107.84 -1.17 . . . . 50.6 107.84 179.238 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 111' ' ' VAL . . . . . 0.452 ' HB ' ' HA ' ' K' ' 84' ' ' PRO . 3.5 t -108.39 117.84 54.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 C-N-CA 124.244 1.018 . . . . 48.66 108.774 -177.349 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' K' K ' 112' ' ' SER . . . . . . . . . . . . . 4.9 p -97.54 131.1 44.46 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 122.985 0.514 . . . . 62.71 110.659 178.484 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 113' ' ' SER . . . . . . . . . . . . . 21.4 t . . . . . 0 C--O 1.238 0.487 0 O-C-N 123.729 0.643 . . . . 84.04 110.229 168.524 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 201' ' ' HOH . . . . . 0.738 ' O ' ' NZ ' ' H' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 210' ' ' HOH . . . . . 0.441 ' O ' ' HD3' ' I' ' 71' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' J' J ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' J' J ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' J' J ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' J' J ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' J' J ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' K' K ' 201' ' ' HOH . . . . . 0.472 ' O ' ' OG ' ' K' ' 62' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' K' K ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' K' K ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' K' K ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' K' K ' 206' ' ' HOH . . . . . 0.429 ' O ' ' HD2' ' K' ' 71' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 3' ' ' ARG . . . . . 0.865 HH11 ' HG2' ' H' ' 3' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.2 -1.506 0 CA-C-O 121.508 0.671 . . . . 87.29 109.267 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' H' H ' 4' ' ' GLY . . . . . 0.713 ' HA2' HG23 ' H' ' 9' ' ' VAL . . . 153.65 169.48 18.68 Favored Glycine 0 N--CA 1.422 -2.237 0 C-N-CA 119.156 -1.497 . . . . 75.03 114.222 178.01 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' H' H ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -131.46 -69.63 0.61 Allowed 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 113.867 -1.167 . . . . 84.4 112.101 176.576 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 6' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -102.08 -8.11 21.71 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.823 0.849 . . . . 92.78 112.028 165.426 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 7' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -156.45 168.45 27.33 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 106.49 -1.67 . . . . 62.2 106.49 -168.749 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' H' H ' 8' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -72.45 153.44 41.39 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 118.813 -1.155 . . . . 66.36 110.049 175.881 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 9' ' ' VAL . . . . . 0.713 HG23 ' HA2' ' H' ' 4' ' ' GLY . 40.2 t -125.92 143.15 40.42 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 N-CA-C 109.236 -0.653 . . . . 48.54 109.236 179.612 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' H' H ' 10' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -138.77 118.52 13.15 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 106.956 -1.498 . . . . 56.4 106.956 179.669 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 mt -98.64 134.0 42.19 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 109.202 -0.666 . . . . 50.32 109.202 171.213 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 46.6 t -139.84 162.53 25.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 105.805 -1.924 . . . . 50.31 105.805 -177.083 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 13' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -112.08 151.78 29.01 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.376 -0.602 . . . . 56.95 109.376 176.224 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.6 138.98 21.62 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.084 -0.962 . . . . 53.06 110.851 -177.21 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.68 -10.04 40.5 Favored Glycine 0 N--CA 1.444 -0.772 0 N-CA-C 115.038 0.775 . . . . 47.01 115.038 -173.984 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.93 -175.75 20.98 Favored Glycine 0 CA--C 1.528 0.852 0 CA-C-O 123.019 1.344 . . . . 44.28 112.569 174.786 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 17' ' ' SER . . . . . . . . . . . . . 15.2 m -136.7 159.62 41.27 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 114.116 -1.042 . . . . 43.04 109.357 179.766 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 18' ' ' LEU . . . . . . . . . . . . . 30.2 tp -161.01 147.0 14.61 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 107.914 -1.143 . . . . 40.27 107.914 -178.565 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 19' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -121.21 107.08 12.13 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 109.376 -0.601 . . . . 55.07 109.376 -177.701 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 20' ' ' LEU . . . . . . . . . . . . . 59.0 mt -83.22 149.64 26.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.644 0.735 . . . . 38.9 110.014 174.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 21' ' ' SER . . . . . . . . . . . . . 1.1 t -140.65 149.22 41.99 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.516 -0.766 . . . . 49.35 108.956 -176.256 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -148.63 122.28 9.22 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 107.037 -1.468 . . . . 59.84 107.037 -170.072 155.28 136.067 66.353 103.45 2.021 104.477 170.863 68.59 2 2 . 1 . 001 ecloud nobuild full ' H' H ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.79 150.6 40.16 Favored 'General case' 0 C--O 1.235 0.323 0 O-C-N 123.553 0.533 . . . . 60.93 110.499 -169.025 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 24' ' ' ALA . . . . . . . . . . . . . . . -126.56 -170.61 2.23 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.449 -0.796 . . . . 68.96 109.276 169.165 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 25' ' ' SER . . . . . . . . . . . . . 6.2 m -124.65 139.89 53.44 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 122.864 0.466 . . . . 64.96 109.801 178.163 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 26' ' ' GLY . . . . . . . . . . . . . . . 65.47 30.72 78.21 Favored Glycine 0 C--N 1.334 0.442 0 N-CA-C 116.719 1.448 . . . . 65.84 116.719 175.735 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.13 41.39 98.45 Favored Glycine 0 C--O 1.239 0.436 0 CA-C-N 118.24 1.02 . . . . 61.47 114.27 -178.655 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 28' ' ' THR . . . . . . . . . . . . . 20.6 m -57.44 -43.08 83.62 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-N 117.56 0.68 . . . . 64.21 111.966 -170.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 29' ' ' PHE . . . . . 0.462 ' O ' ' NH1' ' H' ' 71' ' ' ARG . 4.4 p90 -109.55 42.07 1.55 Allowed 'General case' 0 C--N 1.331 -0.227 0 O-C-N 121.743 -0.598 . . . . 64.11 112.577 -179.082 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.35 -33.58 73.31 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 120.083 -0.647 . . . . 59.85 111.573 170.301 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 31' ' ' THR . . . . . . . . . . . . . 68.5 p -92.88 -10.28 37.18 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 113.244 0.831 . . . . 58.59 113.244 177.401 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 32' ' ' SER . . . . . . . . . . . . . 1.4 m -103.9 151.75 38.93 Favored Pre-proline 0 C--O 1.238 0.493 0 C-N-CA 114.491 -2.884 . . . . 53.99 111.79 -171.315 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 33' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -76.13 150.99 34.1 Favored 'Trans proline' 0 C--N 1.331 -0.359 0 N-CA-C 110.083 -0.776 . . . . 40.05 110.083 167.932 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 34' ' ' MET . . . . . . . . . . . . . 92.8 mmm -130.92 162.3 29.98 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.229 -0.896 . . . . 44.26 109.507 -168.407 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 35' ' ' GLY . . . . . . . . . . . . . . . -161.03 176.78 37.6 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 119.333 -1.413 . . . . 32.11 112.97 178.876 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 36' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -121.39 130.66 53.73 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 114.117 -1.041 . . . . 36.95 108.204 169.784 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 37' ' ' LEU . . . . . . . . . . . . . 10.1 mt -114.2 160.71 18.7 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 123.815 0.846 . . . . 27.06 109.679 171.179 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 38' ' ' ARG . . . . . . . . . . . . . 31.8 ptt180 -143.12 147.83 35.62 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.868 0.842 . . . . 32.5 110.887 176.429 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 39' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -120.03 106.2 11.77 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 107.949 -1.13 . . . . 59.52 107.949 176.94 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 40' ' ' ALA . . . . . . . . . . . . . . . -83.27 144.64 47.1 Favored Pre-proline 0 C--N 1.322 -0.611 0 C-N-CA 118.343 -1.343 . . . . 52.62 110.007 169.836 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 41' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -49.11 131.87 26.85 Favored 'Trans proline' 0 N--CA 1.474 0.326 0 C-N-CA 120.869 1.046 . . . . 53.35 112.829 -177.578 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.09 -35.98 2.74 Favored Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 115.666 -0.697 . . . . 56.53 114.539 -173.599 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 43' ' ' LYS . . . . . 0.738 ' NZ ' ' O ' ' H' ' 201' ' ' HOH . 0.1 OUTLIER -82.37 153.14 25.91 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 122.037 0.923 . . . . 60.05 111.562 -174.39 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' H' H ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.06 163.45 37.89 Favored Glycine 0 N--CA 1.446 -0.646 0 CA-C-N 114.761 -1.109 . . . . 50.92 111.665 165.119 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 34.2 m -59.95 133.29 55.96 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.629 -0.786 . . . . 40.06 110.023 173.556 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -120.3 159.17 25.54 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 122.069 0.938 . . . . 58.97 110.641 176.22 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 47' ' ' PHE . . . . . 0.444 ' HB2' HG22 ' H' ' 100' E THR . 29.3 t80 -86.95 140.33 29.71 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-N 114.004 -1.453 . . . . 30.57 109.016 -177.534 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' H' H ' 48' ' ' VAL . . . . . . . . . . . . . 73.8 t -111.16 -66.95 1.25 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.469 0 N-CA-C 108.735 -0.839 . . . . 30.32 108.735 177.459 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 49' ' ' ALA . . . . . . . . . . . . . . . -150.96 155.06 38.32 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 109.031 -0.729 . . . . 30.37 109.031 -173.031 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 50' ' ' ALA . . . . . . . . . . . . . . . -143.69 146.83 33.5 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 115.191 -0.913 . . . . 31.06 109.216 177.571 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 51' ' ' ILE . . . . . 0.636 HG13 ' HG2' ' H' ' 57' ' ' ARG . 9.1 tt -134.93 137.86 50.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 108.587 -0.894 . . . . 35.24 108.587 -178.146 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' H' H ' 52' ' ' SER . . . . . 0.538 ' HB2' ' HB2' ' H' ' 56' ' ' ASP . 1.0 OUTLIER -80.45 167.84 29.98 Favored Pre-proline 0 C--N 1.327 -0.401 0 C-N-CA 119.501 -0.88 . . . . 51.58 111.024 -176.535 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' H' H ' 52' A PRO . . . . . 0.424 ' HD2' ' OG ' ' H' ' 52' ' ' SER . 83.7 Cg_exo -54.49 -40.33 84.01 Favored 'Trans proline' 0 C--N 1.352 0.715 0 N-CA-C 114.979 1.107 . . . . 47.83 114.979 174.37 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 4.5 p -64.95 -9.38 21.02 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 112.766 0.654 . . . . 56.46 112.766 177.754 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.87 -3.92 86.11 Favored Glycine 0 N--CA 1.442 -0.909 0 CA-C-O 119.0 -0.889 . . . . 47.17 115.236 -174.149 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 55' ' ' GLY . . . . . . . . . . . . . . . -120.56 0.01 12.37 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 118.225 2.05 . . . . 65.87 118.225 -159.376 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 56' ' ' ASP . . . . . 0.538 ' HB2' ' HB2' ' H' ' 52' ' ' SER . 17.5 m-20 -111.8 89.97 3.21 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 104.607 -2.368 . . . . 50.84 104.607 174.974 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' H' H ' 57' ' ' ARG . . . . . 0.636 ' HG2' HG13 ' H' ' 51' ' ' ILE . 77.8 mtm-85 -107.3 126.45 52.46 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.553 -0.749 . . . . 48.12 109.126 -176.357 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' H' H ' 58' ' ' ILE . . . . . 0.522 ' CD1' ' HB2' ' H' ' 100' B SER . 4.7 pt -127.62 159.54 38.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 CA-C-O 121.82 0.819 . . . . 34.43 109.537 -179.8 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' H' H ' 59' ' ' TYR . . . . . 0.424 ' OH ' ' HA ' ' H' ' 68' ' ' THR . 98.6 m-85 -146.99 130.04 16.39 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.118 -0.947 . . . . 36.23 110.359 -165.531 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' H' H ' 60' ' ' ALA . . . . . . . . . . . . . . . -45.28 135.11 6.09 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 107.972 -1.122 . . . . 39.58 107.972 160.623 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 61' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -61.16 -20.04 62.25 Favored 'General case' 0 CA--C 1.517 -0.295 0 C-N-CA 119.159 -1.017 . . . . 71.52 112.226 178.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 62' ' ' SER . . . . . . . . . . . . . 86.1 p -79.21 -1.74 37.74 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 113.571 0.952 . . . . 45.97 113.571 177.811 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 63' ' ' VAL . . . . . . . . . . . . . 32.9 m -129.82 -13.34 2.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 N-CA-C 108.51 -0.922 . . . . 38.89 108.51 178.974 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 64' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -51.91 130.87 30.4 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.863 -0.608 . . . . 53.53 109.604 179.155 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.48 -23.58 9.82 Favored Glycine 0 C--O 1.239 0.446 0 N-CA-C 115.007 0.763 . . . . 43.09 115.007 179.916 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 66' ' ' ARG . . . . . . . . . . . . . 43.3 mtm180 -98.42 -40.68 8.17 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-N 117.737 0.768 . . . . 44.2 112.915 175.081 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 67' ' ' PHE . . . . . . . . . . . . . 9.3 m-30 -100.09 155.52 17.68 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.265 -0.643 . . . . 36.42 109.265 179.556 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 68' ' ' THR . . . . . 0.424 ' HA ' ' OH ' ' H' ' 59' ' ' TYR . 22.8 p -142.31 145.54 34.08 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 108.633 -0.877 . . . . 37.97 108.633 168.491 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' H' H ' 69' ' ' ILE . . . . . . . . . . . . . 15.4 tt -113.77 151.03 15.65 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 N-CA-C 106.856 -1.535 . . . . 40.6 106.856 -176.354 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 1.9 p -153.72 175.75 12.91 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 108.655 -0.868 . . . . 46.65 108.655 175.197 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 71' ' ' ARG . . . . . 0.621 ' HB3' HG22 ' H' ' 78' ' ' ILE . 12.0 ptm180 -148.98 166.69 27.88 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.375 0.607 . . . . 53.15 109.431 172.996 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' H' H ' 72' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -80.04 178.67 8.07 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.263 -0.88 . . . . 68.87 109.135 167.46 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 73' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -101.02 -19.19 15.93 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 113.732 1.012 . . . . 74.05 113.732 -178.674 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.69 -7.97 56.36 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 113.208 0.818 . . . . 68.11 113.208 177.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.31 27.38 40.09 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-O 119.6 -0.555 . . . . 67.72 114.095 179.223 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 76' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -113.55 -18.64 11.89 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 114.028 1.122 . . . . 69.25 114.028 -177.008 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 77' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -136.28 144.41 44.75 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 118.643 0.656 . . . . 68.09 111.88 -171.98 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 78' ' ' ILE . . . . . 0.621 HG22 ' HB3' ' H' ' 71' ' ' ARG . 44.9 pt -134.39 145.83 32.15 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 N-CA-C 107.465 -1.309 . . . . 47.2 107.465 159.085 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' H' H ' 79' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -117.96 154.52 31.81 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.044 -0.725 . . . . 52.45 109.044 178.685 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 80' ' ' LEU . . . . . . . . . . . . . 48.7 tp -125.91 117.23 22.87 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 105.65 -1.981 . . . . 40.06 105.65 169.952 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 81' ' ' GLN . . . . . . . . . . . . . 39.2 tp60 -103.01 102.64 12.68 Favored 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 106.869 -1.53 . . . . 41.87 106.869 -174.995 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 82' ' ' MET . . . . . 0.53 ' HB3' HD21 ' H' ' 82' C LEU . 42.7 mtp -98.81 119.36 37.43 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.435 -0.58 . . . . 44.37 109.435 -173.632 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' H' H ' 82' A ASN . . . . . . . . . . . . . 51.8 m-80 -122.75 159.74 27.39 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 109.52 -0.548 . . . . 42.2 109.52 176.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 82' B SER . . . . . . . . . . . . . 74.2 m 59.41 43.1 16.9 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.815 -0.629 . . . . 50.02 111.97 178.783 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 82' C LEU . . . . . 0.53 HD21 ' HB3' ' H' ' 82' ' ' MET . 7.8 mt -60.13 132.82 55.12 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 119.465 -0.894 . . . . 47.5 110.405 -175.531 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' H' H ' 83' ' ' LYS . . . . . . . . . . . . . 32.6 mttm -102.9 166.87 11.13 Favored Pre-proline 0 C--N 1.371 1.528 0 C-N-CA 128.732 2.813 . . . . 53.15 109.064 171.846 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 84' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -73.11 -14.84 25.97 Favored 'Trans proline' 0 C--O 1.238 0.509 0 CA-C-N 118.84 0.621 . . . . 52.66 112.728 169.349 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 85' ' ' GLU . . . . . . . . . . . . . 26.4 mp0 -65.09 -18.7 65.52 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 112.667 0.617 . . . . 68.57 112.667 170.196 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 86' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -88.38 0.07 56.61 Favored 'General case' 0 C--O 1.239 0.515 0 N-CA-C 113.003 0.742 . . . . 45.2 113.003 -177.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 87' ' ' THR . . . . . . . . . . . . . 99.7 m -64.31 117.65 7.53 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 108.653 -0.869 . . . . 40.02 108.653 178.384 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 88' ' ' ALA . . . . . . . . . . . . . . . -172.25 170.6 5.07 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 108.03 -1.1 . . . . 30.97 108.03 -179.012 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 89' ' ' VAL . . . . . . . . . . . . . 89.1 t -88.88 123.44 41.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 N-CA-C 108.994 -0.743 . . . . 28.17 108.994 167.234 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 90' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -98.69 135.46 40.15 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.938 0.399 . . . . 26.76 111.268 -176.588 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -126.51 130.42 50.57 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.283 -0.636 . . . . 45.08 109.283 178.892 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 92' ' ' CYS . . . . . . . . . . . . . 22.0 p -76.85 157.43 31.48 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 116.228 -2.189 . . . . 63.61 108.857 161.207 68.59 170.863 66.353 104.477 2.021 103.45 136.067 155.28 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 93' ' ' ALA . . . . . . . . . . . . . . . -149.57 144.99 26.57 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.307 -0.86 . . . . 35.05 109.693 -170.0 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 94' ' ' VAL . . . . . . . . . . . . . 14.6 t -95.52 138.26 21.61 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.283 0 N-CA-C 108.134 -1.062 . . . . 36.62 108.134 170.4 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 95' ' ' ARG . . . . . 0.421 ' NH1' ' O ' ' H' ' 100' ' ' GLY . 20.9 ttt180 -80.4 109.65 15.1 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 107.944 -1.132 . . . . 38.98 107.944 168.832 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' H' H ' 96' ' ' ARG . . . . . . . . . . . . . 23.4 mtt180 -111.37 -8.25 14.33 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 114.079 1.14 . . . . 60.69 114.079 -175.583 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 97' ' ' ARG . . . . . . . . . . . . . 62.8 mtm-85 -137.96 162.24 34.6 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 106.961 -1.496 . . . . 35.01 106.961 -177.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 98' ' ' PHE . . . . . 0.41 ' CE2' ' HD3' ' H' ' 95' ' ' ARG . 85.4 m-85 -135.03 42.11 2.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.708 0.766 . . . . 38.28 110.613 -173.809 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' H' H ' 99' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -77.86 -29.03 50.21 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 120.114 -0.635 . . . . 40.17 112.694 178.714 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 100' ' ' GLY . . . . . 0.421 ' O ' ' NH1' ' H' ' 95' ' ' ARG . . . -126.33 -161.42 10.92 Favored Glycine 0 C--O 1.238 0.357 0 C-N-CA 119.401 -1.381 . . . . 36.08 113.608 178.01 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' H' H ' 100' A THR . . . . . . . . . . . . . 17.8 p -65.84 -176.59 0.39 Allowed 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 122.406 1.098 . . . . 41.2 110.85 176.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 100' B SER . . . . . 0.522 ' HB2' ' CD1' ' H' ' 58' ' ' ILE . 1.2 m -80.01 -8.6 59.44 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 116.25 -2.18 . . . . 44.85 111.826 175.381 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' H' H ' 100' C TYR . . . . . . . . . . . . . 82.9 m-85 -86.6 -4.64 59.2 Favored 'General case' 0 CA--C 1.512 -0.505 0 C-N-CA 124.539 1.136 . . . . 42.87 112.676 179.696 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 100' D TYR . . . . . . . . . . . . . 16.3 t80 -82.21 106.91 14.48 Favored 'General case' 0 C--O 1.24 0.59 0 C-N-CA 123.465 0.706 . . . . 36.42 109.504 -171.83 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 100' E THR . . . . . 0.444 HG22 ' HB2' ' H' ' 47' ' ' PHE . 11.2 p -55.25 -31.56 61.63 Favored 'General case' 0 C--N 1.348 0.515 0 C-N-CA 119.507 -0.877 . . . . 34.19 111.561 178.839 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' H' H ' 100' F GLY . . . . . . . . . . . . . . . -59.71 -24.42 59.9 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 115.558 0.983 . . . . 29.05 115.558 178.463 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 100' G ASP . . . . . . . . . . . . . 48.5 m-20 -81.02 -0.47 39.78 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-N 118.81 1.305 . . . . 33.09 113.432 178.216 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 100' H TYR . . . . . . . . . . . . . 80.3 m-85 -111.39 147.56 34.95 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.671 0.748 . . . . 30.32 111.251 -172.211 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 101' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -117.97 123.88 46.84 Favored 'General case' 0 C--O 1.241 0.63 0 N-CA-C 107.118 -1.438 . . . . 45.84 107.118 172.905 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 102' ' ' SER . . . . . . . . . . . . . 84.4 p -63.61 148.14 49.67 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 109.215 -0.661 . . . . 35.57 109.215 176.726 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 103' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 -136.63 124.13 22.17 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.127 -0.629 . . . . 51.96 110.313 -168.849 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 104' ' ' GLY . . . . . . . . . . . . . . . 89.3 -116.02 4.62 Favored Glycine 0 C--O 1.22 -0.734 0 N-CA-C 111.409 -0.676 . . . . 44.55 111.409 171.333 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 105' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -139.07 127.42 22.81 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.402 -0.592 . . . . 57.95 109.402 -170.45 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 106' ' ' GLY . . . . . . . . . . . . . . . -70.28 168.9 47.58 Favored Glycine 0 CA--C 1.522 0.494 0 CA-C-O 122.501 1.056 . . . . 34.92 112.976 -177.789 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 107' ' ' THR . . . . . . . . . . . . . 18.1 m -134.13 114.78 13.49 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 108.502 -0.925 . . . . 41.27 108.502 -177.583 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 108' ' ' LEU . . . . . . . . . . . . . 12.4 tp -78.84 118.48 20.92 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 109.315 -0.624 . . . . 38.24 109.315 174.181 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 109' ' ' VAL . . . . . . . . . . . . . 32.1 t -107.93 108.45 25.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 106.268 -1.753 . . . . 38.96 106.268 175.327 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 110' ' ' THR . . . . . . . . . . . . . 16.4 m -98.25 125.71 43.44 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 108.254 -1.017 . . . . 45.17 108.254 174.99 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 111' ' ' VAL . . . . . . . . . . . . . 3.6 t -108.09 117.89 54.6 Favored 'Isoleucine or valine' 0 C--O 1.242 0.658 0 N-CA-C 107.668 -1.234 . . . . 59.17 107.668 174.965 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 112' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -93.69 123.75 37.23 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 109.354 -0.61 . . . . 64.27 109.354 179.866 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' H' H ' 113' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.239 0.519 0 CA-C-O 121.476 0.655 . . . . 77.46 111.456 -176.736 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 6' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 . . . . . 0 C--O 1.233 0.202 0 CA-C-O 120.909 0.385 . . . . 86.86 111.592 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 7' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -84.2 158.78 21.19 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 122.432 1.111 . . . . 64.1 112.168 -169.368 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 8' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -90.98 149.31 21.9 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 114.318 -1.31 . . . . 76.03 107.611 152.452 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 9' ' ' VAL . . . . . . . . . . . . . 48.0 t -124.05 142.73 39.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 CA-C-O 121.291 0.567 . . . . 48.32 110.716 -173.379 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 10' ' ' GLN . . . . . 0.455 ' O ' HD23 ' I' ' 11' ' ' LEU . 20.6 mm-40 -137.65 127.49 25.54 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 124.945 1.298 . . . . 58.17 107.571 -178.425 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' I' I ' 11' ' ' LEU . . . . . 0.756 HD22 ' HB ' ' I' ' 110' ' ' THR . 3.6 mt -113.02 137.87 50.75 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 108.386 -0.968 . . . . 50.52 108.386 177.53 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 3.4 t -141.82 145.02 24.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 107.705 -1.22 . . . . 45.25 107.705 -169.123 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 13' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -90.71 141.02 29.23 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.944 -0.762 . . . . 67.57 108.944 173.479 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 14' ' ' ALA . . . . . . . . . . . . . . . -47.92 136.93 10.6 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.397 0.617 . . . . 48.07 111.013 178.346 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.78 -7.6 65.35 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-O 119.054 -0.859 . . . . 49.72 114.418 -175.537 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.81 -172.92 42.48 Favored Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 118.508 1.154 . . . . 38.92 112.442 175.271 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 17' ' ' SER . . . . . . . . . . . . . 5.3 m -135.1 162.08 33.5 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-O 122.121 0.962 . . . . 32.57 111.007 -177.171 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 18' ' ' LEU . . . . . . . . . . . . . 56.0 tp -160.32 137.9 9.6 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 114.606 -1.179 . . . . 41.3 108.029 -176.013 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 19' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 -111.07 125.44 53.76 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 123.444 0.465 . . . . 55.24 109.999 175.209 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 20' ' ' LEU . . . . . . . . . . . . . 43.4 mt -101.92 155.6 18.06 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 124.991 1.317 . . . . 37.43 109.537 171.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 21' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -152.22 136.63 16.77 Favored 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 109.063 -0.717 . . . . 48.32 109.063 -173.84 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' I' I ' 22' ' ' CYS . . . . . . . . . . . . . 8.7 t -131.43 132.72 44.55 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.037 -0.983 . . . . 86.26 109.023 -173.595 -162.786 120.139 69.913 107.051 1.99 101.492 158.658 35.42 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 23' ' ' ALA . . . . . . . . . . . . . . . -110.47 94.62 5.1 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.738 -0.838 . . . . 58.38 108.738 -171.809 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.22 161.95 26.03 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 121.609 0.719 . . . . 63.84 110.593 179.977 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 25' ' ' SER . . . . . . . . . . . . . 84.2 p -70.24 156.46 39.22 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.259 -0.882 . . . . 55.69 109.996 169.021 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.81 -35.03 57.5 Favored Glycine 0 C--N 1.341 0.815 0 C-N-CA 120.53 -0.843 . . . . 47.32 113.778 -179.391 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 27' ' ' GLY . . . . . . . . . . . . . . . -73.63 -38.45 51.01 Favored Glycine 0 C--N 1.336 0.542 0 N-CA-C 117.217 1.647 . . . . 54.22 117.217 -179.366 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 28' ' ' THR . . . . . . . . . . . . . 7.3 p -77.74 -36.07 51.14 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 119.663 1.731 . . . . 56.98 110.521 173.059 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 29' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -56.5 -33.94 66.5 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 120.709 0.29 . . . . 62.62 111.188 173.598 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.37 -48.8 21.3 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 120.315 -0.554 . . . . 55.91 110.867 -177.763 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 31' ' ' THR . . . . . . . . . . . . . 17.9 p -103.88 -31.93 9.53 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 113.964 1.098 . . . . 54.88 113.964 -164.501 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 32' ' ' SER . . . . . . . . . . . . . 1.3 m -108.01 149.58 39.29 Favored Pre-proline 0 C--N 1.411 3.262 0 C-N-CA 114.509 -2.876 . . . . 50.29 112.22 -167.173 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 33' ' ' PRO . . . . . 0.645 ' HG2' ' HB3' ' I' ' 95' ' ' ARG . 22.2 Cg_endo -67.99 148.57 76.22 Favored 'Trans proline' 0 C--N 1.332 -0.34 0 N-CA-C 110.215 -0.725 . . . . 37.48 110.215 167.86 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' I' I ' 34' ' ' MET . . . . . . . . . . . . . 66.4 mtm -140.0 153.93 47.0 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.607 0.718 . . . . 52.43 110.567 -173.532 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 35' ' ' GLY . . . . . . . . . . . . . . . -167.09 -157.02 10.17 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 119.509 -1.329 . . . . 32.89 113.636 179.257 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 36' ' ' TRP . . . . . 0.454 ' CZ3' HG22 ' I' ' 78' ' ' ILE . 1.8 m-90 -128.61 133.85 48.41 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 114.833 -0.683 . . . . 34.86 110.238 -179.875 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' I' I ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 mt -115.64 155.21 28.08 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 123.788 0.835 . . . . 30.88 110.134 166.354 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 38' ' ' ARG . . . . . 0.409 ' HA ' ' O ' ' I' ' 89' ' ' VAL . 37.1 ptt180 -132.91 153.69 51.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 122.346 1.07 . . . . 34.19 111.921 178.48 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' I' I ' 39' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -127.91 106.06 8.84 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 106.245 -1.761 . . . . 53.05 106.245 178.746 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 40' ' ' ALA . . . . . . . . . . . . . . . -80.79 160.47 66.52 Favored Pre-proline 0 C--O 1.239 0.501 0 C-N-CA 120.335 -0.546 . . . . 41.11 109.576 173.491 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 41' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_exo -52.24 121.48 8.99 Favored 'Trans proline' 0 N--CA 1.472 0.246 0 C-N-CA 120.422 0.748 . . . . 49.8 113.307 -176.932 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 42' ' ' GLY . . . . . . . . . . . . . . . 70.83 14.12 72.71 Favored Glycine 0 C--N 1.332 0.348 0 N-CA-C 115.675 1.03 . . . . 52.81 115.675 176.283 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 43' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -121.61 163.39 19.01 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 118.424 1.112 . . . . 56.37 109.774 -177.139 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.69 164.67 54.65 Favored Glycine 0 CA--C 1.527 0.842 0 C-N-CA 119.919 -1.134 . . . . 45.22 112.731 176.167 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 9.1 m -61.59 136.9 58.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.623 -0.788 . . . . 48.61 110.638 174.644 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 46' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -127.62 149.91 49.97 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.526 0.679 . . . . 59.57 109.883 174.673 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 47' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -70.17 140.11 52.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 114.607 -1.179 . . . . 29.66 110.549 176.887 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 48' ' ' VAL . . . . . . . . . . . . . 99.2 t -111.59 -70.41 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 N-CA-C 109.757 -0.46 . . . . 26.47 109.757 175.806 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 49' ' ' ALA . . . . . . . . . . . . . . . -149.76 167.12 27.4 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 108.903 -0.777 . . . . 30.97 108.903 -176.965 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 50' ' ' ALA . . . . . . . . . . . . . . . -161.46 148.23 14.5 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 121.922 0.867 . . . . 32.85 111.894 -175.374 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 51' ' ' ILE . . . . . 0.501 HD13 ' HG3' ' I' ' 71' ' ' ARG . 13.6 tt -139.73 145.25 27.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 CA-C-N 115.236 -0.893 . . . . 38.84 109.134 179.586 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' I' I ' 52' ' ' SER . . . . . . . . . . . . . 34.7 m -80.14 167.54 32.63 Favored Pre-proline 0 C--O 1.234 0.241 0 CA-C-O 121.352 0.596 . . . . 49.32 110.641 177.814 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 52' A PRO . . . . . . . . . . . . . 86.9 Cg_exo -61.56 -29.04 83.84 Favored 'Trans proline' 0 C--O 1.239 0.536 0 N-CA-C 114.043 0.747 . . . . 52.34 114.043 176.154 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 59.6 p -76.11 20.01 0.21 Allowed 'General case' 0 C--O 1.241 0.615 0 C-N-CA 124.047 0.939 . . . . 49.52 113.426 -179.606 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 54' ' ' GLY . . . . . . . . . . . . . . . 66.32 -13.63 0.38 Allowed Glycine 0 C--O 1.244 0.72 0 N-CA-C 115.241 0.856 . . . . 42.69 115.241 -173.609 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 55' ' ' GLY . . . . . . . . . . . . . . . -103.45 -169.67 25.72 Favored Glycine 0 N--CA 1.442 -0.929 0 CA-C-N 118.743 1.271 . . . . 39.76 112.523 -173.481 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 56' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 54.47 40.4 31.78 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 114.527 -0.836 . . . . 44.99 110.167 179.697 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 57' ' ' ARG . . . . . . . . . . . . . 71.9 mtm-85 -67.2 123.97 21.78 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 109.055 -0.72 . . . . 54.97 109.055 171.253 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 58' ' ' ILE . . . . . . . . . . . . . 13.1 pt -126.86 155.42 37.64 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 CA-C-O 121.533 0.683 . . . . 30.95 110.501 179.256 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 59' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -139.25 137.01 35.54 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.67 -0.696 . . . . 36.02 110.13 -172.611 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 60' ' ' ALA . . . . . . . . . . . . . . . -46.1 142.29 2.85 Favored 'General case' 0 C--O 1.237 0.398 0 O-C-N 124.099 0.874 . . . . 43.79 109.548 158.373 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 61' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -68.28 -20.28 64.77 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 115.794 -2.362 . . . . 78.6 111.782 -178.283 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 62' ' ' SER . . . . . . . . . . . . . 3.2 p -60.21 -30.47 69.4 Favored 'General case' 0 C--N 1.348 0.541 0 CA-C-N 118.971 0.805 . . . . 45.5 112.43 176.851 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 63' ' ' VAL . . . . . . . . . . . . . 14.2 m -115.16 -10.32 12.21 Favored 'Isoleucine or valine' 0 C--O 1.245 0.859 0 N-CA-C 112.919 0.711 . . . . 42.02 112.919 -168.894 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 64' ' ' LYS . . . . . . . . . . . . . 6.6 ttmt -54.73 136.9 45.54 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 118.512 0.596 . . . . 53.34 110.61 178.407 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.84 -15.84 24.03 Favored Glycine 0 C--N 1.343 0.938 0 N-CA-C 115.671 1.028 . . . . 40.93 115.671 -176.812 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 66' ' ' ARG . . . . . . . . . . . . . 48.8 mtm180 -110.43 -35.58 6.01 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 118.898 1.349 . . . . 40.62 112.901 172.8 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 67' ' ' PHE . . . . . . . . . . . . . 2.9 m-30 -101.17 149.79 23.62 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 109.077 -0.712 . . . . 36.14 109.077 -179.355 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 1.4 p -137.88 150.32 47.01 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 108.751 -0.833 . . . . 34.67 108.751 167.03 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 69' ' ' ILE . . . . . . . . . . . . . 19.3 tt -121.19 146.35 26.33 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.334 0 N-CA-C 106.942 -1.503 . . . . 31.34 106.942 -177.568 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 4.5 p -150.46 153.88 36.69 Favored 'General case' 0 C--N 1.276 -2.611 0 C-N-CA 115.527 -2.469 . . . . 50.2 110.767 -178.615 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 71' ' ' ARG . . . . . 0.501 ' HG3' HD13 ' I' ' 51' ' ' ILE . 3.6 mtm180 -97.81 148.67 23.16 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.201 -0.908 . . . . 61.51 109.905 171.704 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' I' I ' 72' ' ' ASP . . . . . 0.674 ' HB2' ' HE2' ' I' ' 79' ' ' TYR . 45.5 t0 -102.79 114.02 27.92 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 107.095 -1.446 . . . . 85.14 107.095 175.682 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' I' I ' 73' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -52.89 -48.39 67.22 Favored 'General case' 0 C--O 1.239 0.513 0 O-C-N 123.753 0.658 . . . . 94.44 110.894 -176.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.75 -62.09 1.79 Allowed 'General case' 0 C--O 1.237 0.418 0 N-CA-C 112.166 0.432 . . . . 93.72 112.166 -169.454 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 75' ' ' GLY . . . . . . . . . . . . . . . -129.26 41.53 1.54 Allowed Glycine 0 C--N 1.332 0.329 0 N-CA-C 121.843 3.497 . . . . 80.21 121.843 -153.161 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 76' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 62.31 61.26 1.31 Allowed 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.152 1.476 . . . . 64.49 111.295 175.32 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 77' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -140.89 135.1 30.97 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 119.252 -0.979 . . . . 69.01 110.443 -178.248 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 78' ' ' ILE . . . . . 0.454 HG22 ' CZ3' ' I' ' 36' ' ' TRP . 2.6 mm -115.75 144.07 24.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 107.737 -1.209 . . . . 45.51 107.737 168.502 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' I' I ' 79' ' ' TYR . . . . . 0.674 ' HE2' ' HB2' ' I' ' 72' ' ' ASP . 61.6 m-85 -128.22 148.71 50.64 Favored 'General case' 0 C--N 1.318 -0.77 0 O-C-N 124.939 1.399 . . . . 48.54 109.476 -177.682 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' I' I ' 80' ' ' LEU . . . . . . . . . . . . . 49.5 tp -121.07 123.04 41.39 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 107.32 -1.363 . . . . 30.34 107.32 171.609 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 81' ' ' GLN . . . . . . . . . . . . . 11.9 tp60 -103.64 105.01 15.12 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 106.622 -1.622 . . . . 35.16 106.622 -176.968 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 82' ' ' MET . . . . . . . . . . . . . 51.4 mtp -104.53 112.22 25.2 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.513 -0.921 . . . . 45.06 108.513 -175.111 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 82' A ASN . . . . . . . . . . . . . 28.7 m-80 -116.33 163.74 15.56 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.237 -0.653 . . . . 34.86 109.237 -179.588 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 82' B SER . . . . . . . . . . . . . 39.0 m 47.7 49.72 16.11 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.722 -0.672 . . . . 47.1 111.966 -178.678 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 82' C LEU . . . . . . . . . . . . . 2.8 mm? -62.66 140.46 58.7 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.288 0.566 . . . . 47.77 111.259 -176.848 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 83' ' ' LYS . . . . . 0.433 ' HE2' ' HB2' ' I' ' 83' ' ' LYS . 3.8 mtmt -123.47 159.57 54.52 Favored Pre-proline 0 C--O 1.235 0.332 0 N-CA-C 109.101 -0.703 . . . . 62.16 109.101 -179.416 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' I' I ' 84' ' ' PRO . . . . . 0.457 ' HA ' ' HB ' ' I' ' 111' ' ' VAL . 53.3 Cg_exo -58.85 -27.04 83.01 Favored 'Trans proline' 0 N--CA 1.476 0.482 0 CA-C-N 118.378 0.456 . . . . 48.69 113.084 -178.739 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' I' I ' 85' ' ' GLU . . . . . 0.4 ' OE1' ' N ' ' I' ' 85' ' ' GLU . 30.7 mp0 -67.74 -11.07 57.62 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 125.454 1.502 . . . . 68.84 113.157 176.302 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' I' I ' 86' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -88.6 2.62 52.76 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 118.618 0.644 . . . . 41.53 112.346 174.905 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 87' ' ' THR . . . . . . . . . . . . . 85.2 m -66.65 114.54 5.65 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 109.434 -0.58 . . . . 33.35 109.434 176.943 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 88' ' ' ALA . . . . . . . . . . . . . . . -166.96 171.34 11.27 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 107.067 -1.457 . . . . 28.61 107.067 -174.898 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 89' ' ' VAL . . . . . 0.409 ' O ' ' HA ' ' I' ' 38' ' ' ARG . 2.8 t -91.92 131.04 40.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 107.29 -1.374 . . . . 31.15 107.29 163.812 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' I' I ' 90' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -104.3 131.62 51.43 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 107.32 -1.363 . . . . 32.55 107.32 -178.119 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -125.28 131.13 53.13 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 107.696 -1.224 . . . . 43.94 107.696 179.943 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 92' ' ' CYS . . . . . . . . . . . . . 1.1 p -80.65 155.61 26.75 Favored 'General case' 0 N--CA 1.44 -0.968 0 C-N-CA 113.539 -3.265 . . . . 68.11 109.753 166.583 35.42 158.658 69.913 101.492 1.99 107.051 120.139 -162.786 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 93' ' ' ALA . . . . . . . . . . . . . . . -147.24 151.04 36.01 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-N 115.027 -0.988 . . . . 38.18 109.499 -166.719 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 94' ' ' VAL . . . . . . . . . . . . . 93.5 t -114.52 127.18 72.12 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 N-CA-C 107.229 -1.397 . . . . 39.02 107.229 177.894 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 95' ' ' ARG . . . . . 0.645 ' HB3' ' HG2' ' I' ' 33' ' ' PRO . 47.6 ttt180 -70.72 113.0 7.37 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 107.854 -1.165 . . . . 41.5 107.854 173.159 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' I' I ' 96' ' ' ARG . . . . . . . . . . . . . 53.9 mtt-85 -113.74 -24.36 9.2 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 113.133 0.79 . . . . 55.54 113.133 179.736 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 97' ' ' ARG . . . . . . . . . . . . . 42.5 mtm-85 -108.59 164.58 12.23 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.715 0.769 . . . . 36.86 109.645 176.65 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 98' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -133.4 36.09 3.41 Favored 'General case' 0 C--O 1.24 0.578 0 C-N-CA 119.002 -1.079 . . . . 35.65 111.133 179.015 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 99' ' ' ASP . . . . . 0.465 ' OD1' HG21 ' J' ' 100' A THR . 65.0 m-20 -72.18 -26.21 61.98 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 112.263 0.468 . . . . 41.57 112.263 -178.478 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' I' I ' 100' ' ' GLY . . . . . . . . . . . . . . . -128.12 -159.22 9.97 Favored Glycine 0 C--N 1.333 0.412 0 C-N-CA 120.62 -0.8 . . . . 37.0 114.291 -178.12 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 100' A THR . . . . . . . . . . . . . 26.8 p -74.26 175.42 7.61 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.971 0.891 . . . . 39.75 110.435 173.812 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 100' B SER . . . . . . . . . . . . . 1.2 m -66.7 -15.49 63.56 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 113.025 0.75 . . . . 39.37 113.025 178.371 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 100' C TYR . . . . . . . . . . . . . 39.4 m-85 -92.4 0.3 57.43 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 124.139 0.976 . . . . 36.5 112.797 -179.281 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 100' D TYR . . . . . . . . . . . . . 37.0 t80 -84.98 116.98 23.69 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 109.639 -0.504 . . . . 36.69 109.639 -170.655 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 100' E THR . . . . . . . . . . . . . 4.4 m -58.89 -35.6 73.29 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.7 -0.682 . . . . 40.17 112.571 -176.639 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 100' F GLY . . . . . . . . . . . . . . . -66.5 -21.48 70.68 Favored Glycine 0 C--N 1.341 0.856 0 C-N-CA 120.893 -0.67 . . . . 31.04 114.156 -177.614 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 100' G ASP . . . . . . . . . . . . . 51.9 m-20 -76.73 -6.54 52.62 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-N 118.017 0.909 . . . . 33.13 113.203 174.916 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 100' H TYR . . . . . . . . . . . . . 84.2 m-85 -106.94 139.0 42.04 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 119.222 0.919 . . . . 34.79 112.019 -176.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 101' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -109.72 117.95 35.25 Favored 'General case' 0 C--O 1.241 0.636 0 C-N-CA 122.996 0.518 . . . . 42.64 109.607 168.726 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 102' ' ' SER . . . . . . . . . . . . . 9.8 p -68.57 158.2 34.46 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 121.718 0.77 . . . . 38.51 109.834 178.812 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 103' ' ' TRP . . . . . . . . . . . . . 16.2 p-90 -150.78 164.64 35.71 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 118.741 -1.183 . . . . 74.53 109.934 172.908 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 104' ' ' GLY . . . . . . . . . . . . . . . 72.16 175.68 25.97 Favored Glycine 0 N--CA 1.45 -0.402 0 CA-C-O 122.495 1.053 . . . . 58.84 111.31 -173.075 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 105' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -81.63 142.18 32.99 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 119.347 -0.941 . . . . 70.32 109.398 171.09 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 106' ' ' GLY . . . . . . . . . . . . . . . -76.86 169.62 55.0 Favored Glycine 0 CA--C 1.528 0.888 0 CA-C-O 122.639 1.133 . . . . 43.66 113.172 178.341 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 107' ' ' THR . . . . . . . . . . . . . 85.5 m -116.59 117.57 30.22 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 108.229 -1.026 . . . . 42.41 108.229 179.069 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 108' ' ' LEU . . . . . . . . . . . . . 58.7 tp -73.51 125.59 28.28 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 119.484 -0.886 . . . . 39.05 108.925 169.167 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 109' ' ' VAL . . . . . . . . . . . . . 70.5 t -115.08 117.55 56.01 Favored 'Isoleucine or valine' 0 C--O 1.241 0.642 0 N-CA-C 106.989 -1.486 . . . . 35.48 106.989 173.538 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 110' ' ' THR . . . . . 0.756 ' HB ' HD22 ' I' ' 11' ' ' LEU . 35.6 m -110.45 124.73 52.31 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.097 -0.705 . . . . 43.29 109.097 174.967 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' I' I ' 111' ' ' VAL . . . . . 0.457 ' HB ' ' HA ' ' I' ' 84' ' ' PRO . 4.0 t -102.65 102.5 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 107.731 -1.211 . . . . 41.47 107.731 178.188 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' I' I ' 112' ' ' SER . . . . . . . . . . . . . 1.2 m -66.02 -178.58 0.62 Allowed 'General case' 0 CA--C 1.521 -0.164 0 C-N-CA 123.833 0.853 . . . . 60.9 110.019 175.102 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.243 0.728 0 C-N-CA 118.53 -1.268 . . . . 72.66 111.718 173.594 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.219 -0.521 0 N-CA-C 108.454 -0.943 . . . . 93.37 108.454 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 7' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -134.23 172.88 12.24 Favored 'General case' 0 C--O 1.187 -2.196 0 C-N-CA 118.952 -1.099 . . . . 76.18 111.116 178.151 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' J' J ' 8' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -91.11 151.7 20.89 Favored 'General case' 0 C--O 1.18 -2.561 0 N-CA-C 107.54 -1.282 . . . . 83.36 107.54 178.781 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 9' ' ' VAL . . . . . . . . . . . . . 21.6 t -123.29 146.42 28.67 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 CA-C-O 121.707 0.765 . . . . 45.95 109.956 -176.417 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 10' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -139.51 116.02 10.65 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 114.822 -1.081 . . . . 49.81 108.82 178.942 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 11' ' ' LEU . . . . . 0.686 HD23 ' HB ' ' J' ' 110' ' ' THR . 63.4 mt -102.01 135.87 42.82 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.884 -0.413 . . . . 49.57 109.884 178.344 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' J' J ' 12' ' ' VAL . . . . . 0.46 HG11 HD13 ' J' ' 82' C LEU . 3.9 p -149.63 138.65 15.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 N-CA-C 107.959 -1.126 . . . . 44.12 107.959 -173.656 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' J' J ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -63.45 152.18 39.04 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.2 -0.6 . . . . 54.78 110.685 171.308 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.1 140.12 57.07 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 119.719 -0.792 . . . . 41.64 108.963 169.307 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.85 -23.07 25.23 Favored Glycine 0 N--CA 1.444 -0.787 0 CA-C-O 119.361 -0.688 . . . . 38.04 114.77 -177.013 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.79 -169.29 26.9 Favored Glycine 0 CA--C 1.521 0.431 0 CA-C-O 122.481 1.045 . . . . 38.66 112.58 177.926 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 17' ' ' SER . . . . . . . . . . . . . 38.0 p -134.19 163.79 28.81 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 121.901 0.858 . . . . 36.29 111.069 -169.413 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 18' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' J' ' 18' ' ' LEU . 1.1 mt -152.94 151.35 30.23 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 115.729 -0.669 . . . . 43.27 109.288 179.096 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' J' J ' 19' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -122.01 125.83 47.16 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.523 -0.547 . . . . 35.28 109.523 165.83 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 20' ' ' LEU . . . . . . . . . . . . . 13.8 mt -103.72 154.8 19.14 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.568 -0.901 . . . . 27.62 108.568 170.636 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 21' ' ' SER . . . . . . . . . . . . . 9.1 p -146.65 157.96 43.81 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 122.228 1.013 . . . . 30.45 110.385 -175.362 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 22' ' ' CYS . . . . . 0.414 ' O ' ' HA ' ' J' ' 77' ' ' PHE . 3.6 t -136.17 131.1 34.21 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 106.42 -1.696 . . . . 71.36 106.42 -173.303 -154.269 111.789 74.939 107.419 2.019 106.106 161.78 33.724 2 2 . 1 . 001 ecloud nobuild full ' J' J ' 23' ' ' ALA . . . . . . . . . . . . . . . -109.77 143.39 39.68 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.221 0.534 . . . . 44.33 111.096 -177.741 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 24' ' ' ALA . . . . . . . . . . . . . . . -134.89 171.89 13.76 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 108.402 -0.962 . . . . 46.96 108.402 167.812 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 25' ' ' SER . . . . . . . . . . . . . 17.2 m -110.0 150.41 28.56 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.304 -0.862 . . . . 49.1 109.934 169.957 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.44 23.8 77.63 Favored Glycine 0 C--O 1.237 0.317 0 N-CA-C 116.058 1.183 . . . . 53.23 116.058 170.643 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.58 29.06 74.15 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 118.001 0.9 . . . . 52.13 115.293 176.64 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 28' ' ' THR . . . . . . . . . . . . . 2.4 m -48.19 -46.92 35.52 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-N 117.812 0.806 . . . . 47.64 111.73 176.759 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 29' ' ' PHE . . . . . 0.598 ' HB3' HD11 ' J' ' 78' ' ' ILE . 21.0 m-85 -69.87 -21.24 63.35 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 125.511 1.524 . . . . 51.61 114.066 -175.287 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.05 -15.63 61.5 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 119.323 0.965 . . . . 52.31 112.877 176.744 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 31' ' ' THR . . . . . . . . . . . . . 5.5 p -128.2 7.11 5.94 Favored 'General case' 0 C--O 1.246 0.879 0 N-CA-C 113.209 0.818 . . . . 53.01 113.209 -178.166 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 32' ' ' SER . . . . . . . . . . . . . 9.1 m -116.03 144.61 33.15 Favored Pre-proline 0 C--O 1.235 0.325 0 CA-C-N 118.361 0.528 . . . . 50.78 110.118 176.678 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 33' ' ' PRO . . . . . 0.534 ' HG2' ' HB3' ' J' ' 95' ' ' ARG . 73.0 Cg_endo -79.17 129.93 9.01 Favored 'Trans proline' 0 C--O 1.234 0.279 0 N-CA-C 109.768 -0.897 . . . . 37.36 109.768 170.212 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' J' J ' 34' ' ' MET . . . . . 0.423 ' SD ' HG22 ' J' ' 94' ' ' VAL . 77.1 mmm -120.57 162.56 19.42 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 124.464 1.105 . . . . 37.02 110.568 -168.376 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' J' J ' 35' ' ' GLY . . . . . . . . . . . . . . . -167.64 179.06 41.28 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 118.343 -1.884 . . . . 29.25 111.12 172.289 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 36' ' ' TRP . . . . . . . . . . . . . 84.7 m95 -124.79 127.8 47.76 Favored 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 124.107 0.963 . . . . 31.76 108.741 177.885 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 37' ' ' LEU . . . . . . . . . . . . . 12.9 mt -109.39 173.96 6.09 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-O 122.24 1.019 . . . . 31.99 110.144 167.645 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 38' ' ' ARG . . . . . 0.518 ' HG2' ' HG3' ' J' ' 46' ' ' GLU . 28.7 ptt180 -150.85 150.67 31.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.494 -0.775 . . . . 34.84 109.568 177.593 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' J' J ' 39' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -122.47 101.85 7.74 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 107.354 -1.351 . . . . 54.8 107.354 175.459 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 40' ' ' ALA . . . . . 0.423 ' HB3' ' HE3' ' J' ' 43' ' ' LYS . . . -77.47 147.85 76.09 Favored Pre-proline 0 C--N 1.329 -0.325 0 C-N-CA 118.559 -1.256 . . . . 46.39 109.443 163.624 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' J' J ' 41' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -68.04 142.88 57.85 Favored 'Trans proline' 0 C--O 1.236 0.418 0 N-CA-C 110.731 -0.527 . . . . 54.58 110.731 -177.458 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 42' ' ' GLY . . . . . . . . . . . . . . . 66.93 8.34 48.21 Favored Glycine 0 N--CA 1.451 -0.34 0 CA-C-N 115.223 -0.899 . . . . 52.3 115.186 -171.947 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 43' ' ' LYS . . . . . 0.423 ' HE3' ' HB3' ' J' ' 40' ' ' ALA . 12.6 mtpp -125.52 166.37 16.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 118.773 1.287 . . . . 64.72 108.651 173.805 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' J' J ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.08 -179.45 46.13 Favored Glycine 0 N--CA 1.439 -1.138 0 CA-C-O 122.631 1.129 . . . . 48.15 111.025 -179.91 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 45' ' ' THR . . . . . . . . . . . . . 48.4 m -68.34 136.05 52.79 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.607 -0.886 . . . . 47.53 108.607 164.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 46' ' ' GLU . . . . . 0.518 ' HG3' ' HG2' ' J' ' 38' ' ' ARG . 2.6 pt-20 -134.05 150.12 51.18 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.675 -0.491 . . . . 63.38 109.675 -178.579 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' J' J ' 47' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -80.79 144.74 31.88 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.732 -0.667 . . . . 31.52 110.604 -179.024 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 48' ' ' VAL . . . . . . . . . . . . . 43.0 t -119.42 -57.04 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 C-N-CA 120.441 -0.504 . . . . 28.08 111.775 178.568 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 49' ' ' ALA . . . . . . . . . . . . . . . -154.19 150.0 27.64 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.042 -0.725 . . . . 27.62 109.042 -171.431 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 50' ' ' ALA . . . . . 0.5 ' HB3' HG12 ' J' ' 58' ' ' ILE . . . -143.08 143.91 32.04 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 121.385 0.612 . . . . 27.24 110.774 177.961 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' J' J ' 51' ' ' ILE . . . . . . . . . . . . . 15.8 tt -126.4 133.61 68.31 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 N-CA-C 108.427 -0.953 . . . . 38.13 108.427 177.806 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 52' ' ' SER . . . . . . . . . . . . . 24.2 p -76.93 156.08 82.56 Favored Pre-proline 0 C--N 1.35 0.599 0 C-N-CA 120.303 -0.559 . . . . 47.35 110.565 179.522 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 52' A PRO . . . . . . . . . . . . . 12.2 Cg_exo -56.01 -40.98 81.63 Favored 'Trans proline' 0 C--O 1.244 0.807 0 CA-C-N 118.05 0.339 . . . . 58.14 112.467 179.469 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 53' ' ' SER . . . . . . . . . . . . . 9.8 t -49.69 -35.44 21.77 Favored 'General case' 0 C--O 1.239 0.506 0 N-CA-C 112.902 0.704 . . . . 62.12 112.902 168.054 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 54' ' ' GLY . . . . . . . . . . . . . . . 85.66 -11.43 61.77 Favored Glycine 0 C--N 1.338 0.673 0 CA-C-O 119.053 -0.859 . . . . 58.13 114.551 -166.874 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 55' ' ' GLY . . . . . . . . . . . . . . . -79.51 -13.61 82.36 Favored Glycine 0 C--N 1.342 0.863 0 N-CA-C 116.18 1.232 . . . . 59.95 116.18 -175.753 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 56' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -118.68 124.87 48.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 118.981 1.39 . . . . 60.17 107.735 177.355 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 57' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -125.78 130.29 51.15 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 109.022 -0.733 . . . . 60.42 109.022 170.129 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 58' ' ' ILE . . . . . 0.5 HG12 ' HB3' ' J' ' 50' ' ' ALA . 12.8 pt -124.16 149.43 28.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 108.575 -0.898 . . . . 33.9 108.575 176.87 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' J' J ' 59' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -136.54 139.38 42.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 114.929 -1.032 . . . . 43.58 108.808 -172.648 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.97 144.08 29.84 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-O 121.62 0.724 . . . . 45.08 109.671 164.492 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 61' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -59.01 -29.46 67.26 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.135 -0.939 . . . . 72.14 111.918 -179.941 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 62' ' ' SER . . . . . . . . . . . . . 1.3 m -58.86 -41.68 87.61 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.761 -0.375 . . . . 52.97 111.159 178.402 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 63' ' ' VAL . . . . . . . . . . . . . 2.6 m -106.29 0.25 10.05 Favored 'Isoleucine or valine' 0 C--O 1.248 0.977 0 N-CA-C 112.566 0.58 . . . . 42.59 112.566 -167.338 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.31 133.25 48.47 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.814 0.816 . . . . 63.48 110.874 -176.291 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' J' J ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.55 -13.69 50.6 Favored Glycine 0 N--CA 1.434 -1.463 0 CA-C-N 115.736 -0.666 . . . . 41.81 114.016 -173.976 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 66' ' ' ARG . . . . . . . . . . . . . 44.9 mtm180 -108.18 -29.06 9.12 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 118.012 0.906 . . . . 39.03 112.856 176.223 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 67' ' ' PHE . . . . . . . . . . . . . 5.4 m-30 -114.12 140.07 48.81 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.055 -0.72 . . . . 35.81 109.055 -174.289 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 68' ' ' THR . . . . . . . . . . . . . 89.0 m -127.7 130.34 48.68 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 107.951 -1.129 . . . . 44.89 107.951 176.803 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 69' ' ' ILE . . . . . . . . . . . . . 13.9 tt -105.63 143.69 16.34 Favored 'Isoleucine or valine' 0 C--O 1.239 0.512 0 N-CA-C 107.915 -1.142 . . . . 36.4 107.915 175.022 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 70' ' ' SER . . . . . . . . . . . . . 2.7 p -160.76 170.29 21.04 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 121.961 0.886 . . . . 37.69 109.91 175.86 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 71' ' ' ARG . . . . . 0.853 ' HG2' HD13 ' J' ' 78' ' ' ILE . 4.1 mtp180 -121.66 146.5 46.94 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 126.341 1.856 . . . . 61.05 108.63 176.373 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' J' J ' 72' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -71.2 175.56 5.2 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-O 121.787 0.803 . . . . 55.39 109.722 163.484 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 73' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -68.8 -35.41 76.99 Favored 'General case' 0 C--O 1.244 0.802 0 C-N-CA 119.781 -0.768 . . . . 56.94 112.288 -170.847 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.1 -14.43 53.69 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 113.452 0.908 . . . . 51.91 113.452 -171.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.64 22.84 61.25 Favored Glycine 0 N--CA 1.443 -0.899 0 C-N-CA 120.175 -1.012 . . . . 54.46 113.823 -174.66 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 76' ' ' ASN . . . . . . . . . . . . . 56.5 m-20 -104.66 -4.14 22.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 118.284 1.042 . . . . 56.35 112.641 175.305 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 77' ' ' PHE . . . . . 0.414 ' HA ' ' O ' ' J' ' 22' ' ' CYS . 66.0 m-85 -139.71 129.99 25.31 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 118.304 0.502 . . . . 46.66 111.232 175.1 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' J' J ' 78' ' ' ILE . . . . . 0.853 HD13 ' HG2' ' J' ' 71' ' ' ARG . 5.9 mm -103.93 142.23 17.97 Favored 'Isoleucine or valine' 0 C--N 1.346 0.426 0 N-CA-C 107.335 -1.357 . . . . 46.02 107.335 160.75 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' J' J ' 79' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -127.05 143.19 51.35 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 120.704 0.288 . . . . 43.83 111.537 -177.607 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 80' ' ' LEU . . . . . . . . . . . . . 33.1 tp -119.81 101.04 7.61 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 106.719 -1.585 . . . . 31.68 106.719 173.303 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 81' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -83.4 122.57 28.67 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.637 -0.875 . . . . 33.57 108.637 177.282 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 82' ' ' MET . . . . . . . . . . . . . 37.7 mtp -115.02 122.89 47.6 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 108.525 -0.917 . . . . 40.52 108.525 -177.64 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 82' A ASN . . . . . . . . . . . . . 75.7 m-20 -119.04 163.07 17.53 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.351 0.596 . . . . 40.37 109.92 173.05 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 82' B SER . . . . . . . . . . . . . 8.7 m 52.28 47.68 24.22 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.4 0.68 . . . . 45.91 112.696 174.476 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 82' C LEU . . . . . 0.46 HD13 HG11 ' J' ' 12' ' ' VAL . 24.8 mt -65.32 129.59 40.28 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.403 -0.519 . . . . 37.82 111.025 -172.197 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' J' J ' 83' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -105.88 159.36 29.87 Favored Pre-proline 0 N--CA 1.444 -0.758 0 C-N-CA 125.029 1.332 . . . . 57.1 109.595 173.945 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 84' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -63.75 -22.88 69.52 Favored 'Trans proline' 0 N--CA 1.475 0.424 0 N-CA-C 113.4 0.5 . . . . 48.13 113.4 177.652 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 85' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -63.99 -10.25 20.55 Favored 'General case' 0 C--O 1.238 0.484 0 N-CA-C 112.658 0.614 . . . . 61.66 112.658 173.236 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 86' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -90.96 -4.36 56.54 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.815 0.672 . . . . 42.2 112.815 179.168 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 87' ' ' THR . . . . . . . . . . . . . 18.5 m -59.39 111.13 1.26 Allowed 'General case' 0 C--O 1.243 0.716 0 C-N-CA 123.339 0.656 . . . . 32.44 111.424 177.868 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 88' ' ' ALA . . . . . . . . . . . . . . . -162.23 173.27 14.47 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 108.044 -1.095 . . . . 28.97 108.044 -177.765 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 89' ' ' VAL . . . . . . . . . . . . . 63.0 t -95.19 122.46 46.67 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 N-CA-C 109.063 -0.717 . . . . 29.3 109.063 163.136 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 90' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -102.07 143.42 31.93 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 124.895 1.278 . . . . 29.93 111.075 -174.554 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 91' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -138.96 131.62 28.95 Favored 'General case' 0 CA--C 1.513 -0.466 0 C-N-CA 124.18 0.992 . . . . 47.96 109.107 -177.53 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 92' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -74.51 148.56 40.85 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 118.22 -1.392 . . . . 72.54 108.665 161.603 33.724 161.78 74.939 106.106 2.019 107.419 111.789 -154.269 2 2 . 1 . 001 ecloud nobuild full ' J' J ' 93' ' ' ALA . . . . . 0.503 ' HB1' ' HB3' ' J' ' 100' H TYR . . . -141.78 143.4 33.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.854 -0.612 . . . . 33.54 110.041 -178.822 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' J' J ' 94' ' ' VAL . . . . . 0.423 HG22 ' SD ' ' J' ' 34' ' ' MET . 46.7 t -90.42 135.57 26.17 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.515 0 N-CA-C 108.157 -1.053 . . . . 44.03 108.157 171.235 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' J' J ' 95' ' ' ARG . . . . . 0.534 ' HB3' ' HG2' ' J' ' 33' ' ' PRO . 53.6 ttt180 -79.6 113.79 18.03 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 108.604 -0.887 . . . . 42.25 108.604 168.23 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' J' J ' 96' ' ' ARG . . . . . . . . . . . . . 14.7 mmt85 -109.38 -18.33 13.58 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 123.82 0.848 . . . . 57.61 113.16 178.911 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 97' ' ' ARG . . . . . . . . . . . . . 59.1 mtm-85 -122.64 166.96 14.03 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 121.864 0.84 . . . . 47.5 109.837 -178.598 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 98' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -140.19 38.54 1.93 Allowed 'General case' 0 C--O 1.235 0.32 0 CA-C-N 114.852 -1.067 . . . . 39.59 109.709 -178.525 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 99' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -74.33 -14.89 60.95 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 118.938 -0.554 . . . . 56.81 112.436 172.713 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 100' ' ' GLY . . . . . . . . . . . . . . . -134.09 -156.72 7.99 Favored Glycine 0 C--N 1.332 0.357 0 CA-C-N 118.18 0.446 . . . . 39.88 114.055 179.143 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 100' A THR . . . . . 0.75 HG23 ' H ' ' J' ' 100' C TYR . 3.5 t -85.34 -177.47 6.48 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 123.779 0.832 . . . . 53.61 109.297 170.856 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' J' J ' 100' B SER . . . . . . . . . . . . . 11.4 p -83.0 -5.06 58.95 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 115.675 -2.41 . . . . 37.02 111.932 -179.143 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 100' C TYR . . . . . 0.75 ' H ' HG23 ' J' ' 100' A THR . 98.2 m-85 -77.39 -17.5 58.14 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 113.354 0.872 . . . . 42.11 113.354 168.157 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' J' J ' 100' D TYR . . . . . . . . . . . . . 12.1 t80 -73.74 107.7 6.15 Favored 'General case' 0 C--O 1.241 0.611 0 N-CA-C 109.134 -0.691 . . . . 35.16 109.134 -172.473 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 100' E THR . . . . . . . . . . . . . 73.0 p -61.75 -24.96 67.15 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 119.742 -0.783 . . . . 35.79 112.093 -177.394 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 100' F GLY . . . . . . . . . . . . . . . -65.86 -10.54 51.14 Favored Glycine 0 C--N 1.336 0.565 0 CA-C-O 118.429 -1.206 . . . . 35.16 115.243 179.851 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 100' G ASP . . . . . . . . . . . . . 47.9 m-20 -92.32 0.54 57.46 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 118.721 1.261 . . . . 39.41 113.48 178.782 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 100' H TYR . . . . . 0.503 ' HB3' ' HB1' ' J' ' 93' ' ' ALA . 63.8 m-85 -113.94 142.83 45.65 Favored 'General case' 0 C--N 1.339 0.143 0 CA-C-N 118.883 0.765 . . . . 36.35 110.625 -170.622 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' J' J ' 101' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -109.97 128.24 55.26 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 108.306 -0.998 . . . . 62.12 108.306 171.205 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 102' ' ' SER . . . . . . . . . . . . . 1.1 p -59.71 136.68 58.07 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 120.034 -0.666 . . . . 44.59 109.569 -178.601 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 103' ' ' TRP . . . . . . . . . . . . . 22.1 t-105 -102.0 94.05 5.58 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 107.43 -1.322 . . . . 49.85 107.43 179.71 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 104' ' ' GLY . . . . . . . . . . . . . . . 77.06 -143.44 28.68 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 119.85 -1.167 . . . . 53.67 113.549 174.656 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 105' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -103.22 133.79 47.71 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 114.845 -0.678 . . . . 69.24 112.373 -158.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 106' ' ' GLY . . . . . . . . . . . . . . . -71.78 165.48 53.76 Favored Glycine 0 C--N 1.339 0.736 0 CA-C-O 122.72 1.178 . . . . 49.21 113.868 -176.82 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 107' ' ' THR . . . . . . . . . . . . . 97.0 m -128.24 122.18 31.12 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 114.708 -0.746 . . . . 41.15 109.281 174.084 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 108' ' ' LEU . . . . . . . . . . . . . 53.5 tp -75.51 122.75 24.34 Favored 'General case' 0 C--N 1.342 0.249 0 O-C-N 123.894 0.746 . . . . 38.31 109.759 169.1 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 109' ' ' VAL . . . . . . . . . . . . . 41.6 t -113.01 122.43 67.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 N-CA-C 105.887 -1.894 . . . . 32.1 105.887 175.727 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 110' ' ' THR . . . . . 0.686 ' HB ' HD23 ' J' ' 11' ' ' LEU . 59.6 m -121.7 123.75 42.61 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.243 -1.021 . . . . 42.38 108.243 -173.447 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' J' J ' 111' ' ' VAL . . . . . . . . . . . . . 2.9 t -114.86 116.29 52.11 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 N-CA-C 106.834 -1.543 . . . . 48.8 106.834 -178.126 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 112' ' ' SER . . . . . . . . . . . . . 2.2 p -98.4 115.03 27.6 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.226 -0.657 . . . . 62.89 109.226 -177.977 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 113' ' ' SER . . . . . . . . . . . . . 20.5 m . . . . . 0 N--CA 1.479 0.986 0 C-N-CA 125.496 1.518 . . . . 80.82 113.672 -175.49 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' K' K ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.538 0.481 0 N-CA-C 114.012 1.116 . . . . 77.52 114.012 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 7' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -135.79 151.08 49.74 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.294 0.569 . . . . 58.6 110.492 -177.379 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' K' K ' 8' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -54.29 156.57 3.14 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.18 -0.918 . . . . 67.92 111.372 168.187 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 9' ' ' VAL . . . . . . . . . . . . . 85.3 t -132.67 133.83 59.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 N-CA-C 108.857 -0.794 . . . . 43.76 108.857 177.966 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 10' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -134.02 132.35 39.97 Favored 'General case' 0 CA--C 1.514 -0.438 0 N-CA-C 109.15 -0.685 . . . . 57.35 109.15 176.119 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mt -114.84 131.06 56.96 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.942 -1.133 . . . . 48.42 107.942 -176.346 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 12' ' ' VAL . . . . . 0.64 HG21 HD13 ' K' ' 82' C LEU . 4.9 m -143.38 154.05 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 107.461 -1.311 . . . . 43.4 107.461 -178.294 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' K' K ' 13' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -91.95 149.76 21.37 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.57 -0.9 . . . . 53.61 108.57 176.132 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.69 139.81 15.72 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.377 -0.829 . . . . 51.48 110.204 178.321 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 15' ' ' GLY . . . . . . . . . . . . . . . 86.31 -17.23 39.54 Favored Glycine 0 N--CA 1.444 -0.778 0 CA-C-O 119.451 -0.638 . . . . 45.8 114.497 -172.337 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.98 172.8 15.12 Favored Glycine 0 C--O 1.24 0.471 0 CA-C-N 117.837 0.819 . . . . 42.44 114.631 174.137 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 17' ' ' SER . . . . . 0.433 ' HB2' ' HA ' ' K' ' 82' A ASN . 1.1 p -133.43 157.12 46.37 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.72 -0.844 . . . . 41.88 108.72 175.794 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' K' K ' 18' ' ' LEU . . . . . . . . . . . . . 5.0 tt -152.67 153.07 32.55 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 108.483 -0.932 . . . . 46.92 108.483 -174.619 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 19' ' ' ARG . . . . . . . . . . . . . 33.3 ttp180 -123.79 126.55 46.67 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.127 -0.629 . . . . 41.71 110.313 170.873 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 20' ' ' LEU . . . . . . . . . . . . . 17.1 mt -100.06 155.35 17.77 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.133 -0.691 . . . . 31.08 109.133 168.945 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 21' ' ' SER . . . . . . . . . . . . . 54.0 p -152.8 143.11 22.52 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.944 -1.132 . . . . 40.88 107.944 -177.982 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 22' ' ' CYS . . . . . . . . . . . . . 19.4 p -132.49 130.04 39.95 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 108.015 -1.106 . . . . 78.32 108.015 171.305 70.547 -172.786 115.564 102.214 2.048 105.82 -168.521 68.425 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.27 150.22 22.72 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.585 0.707 . . . . 59.37 110.459 -172.49 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.53 150.85 22.25 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.311 -0.858 . . . . 73.38 109.268 173.133 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 25' ' ' SER . . . . . . . . . . . . . 1.7 m -63.18 -57.26 11.12 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.334 -0.848 . . . . 87.19 110.284 174.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 26' ' ' GLY . . . . . . . . . . . . . . . -138.84 91.92 0.2 Allowed Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 121.106 -0.569 . . . . 82.71 112.717 173.764 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 27' ' ' GLY . . . . . . . . . . . . . . . 47.82 26.84 4.39 Favored Glycine 0 C--N 1.338 0.661 0 N-CA-C 115.641 1.016 . . . . 75.86 115.641 177.152 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 28' ' ' THR . . . . . . . . . . . . . 95.7 m -54.41 -47.25 72.96 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 112.434 0.531 . . . . 74.59 112.434 -165.125 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 29' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -107.72 22.74 15.53 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 113.968 1.099 . . . . 68.94 113.968 -164.533 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' K' K ' 30' ' ' ALA . . . . . 0.483 ' HB2' ' HA3' ' K' ' 75' ' ' GLY . . . -71.02 -8.08 50.87 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 119.099 -1.04 . . . . 63.18 111.131 152.91 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' K' K ' 31' ' ' THR . . . . . 0.407 ' O ' ' HB3' ' K' ' 52' A PRO . 2.7 p -127.36 -20.16 4.11 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 114.873 1.434 . . . . 69.0 114.873 -177.427 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' K' K ' 32' ' ' SER . . . . . . . . . . . . . 66.7 m -101.26 150.7 37.38 Favored Pre-proline 1 C--N 1.431 4.152 0 C-N-CA 118.11 -1.436 . . . . 61.06 111.236 -178.031 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' K' K ' 33' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -77.59 127.59 8.95 Favored 'Trans proline' 0 CA--C 1.536 0.615 0 CA-C-O 121.697 0.624 . . . . 43.54 111.483 174.471 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 34' ' ' MET . . . . . . . . . . . . . 33.0 mmm -128.81 149.41 50.75 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-O 121.862 0.839 . . . . 50.7 111.091 -166.135 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 35' ' ' GLY . . . . . . . . . . . . . . . -146.97 177.32 25.34 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 118.585 -1.769 . . . . 31.78 111.679 173.265 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 36' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -117.62 129.05 55.51 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 108.037 -1.098 . . . . 33.33 108.037 169.201 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 37' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' K' ' 47' ' ' PHE . 15.0 mt -111.79 171.06 7.72 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-O 122.072 0.939 . . . . 33.03 109.604 168.564 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' K' K ' 38' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -149.54 154.61 39.01 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-N 115.459 -0.791 . . . . 44.06 108.955 179.778 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 39' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -118.4 95.45 4.88 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 107.249 -1.389 . . . . 68.62 107.249 175.234 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 40' ' ' ALA . . . . . 0.595 ' HB3' ' HB2' ' K' ' 43' ' ' LYS . . . -68.05 149.0 98.34 Favored Pre-proline 0 C--N 1.325 -0.5 0 C-N-CA 119.935 -0.706 . . . . 53.08 110.277 171.864 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' K' K ' 41' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_exo -64.57 131.18 28.74 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 120.65 0.9 . . . . 60.01 111.171 -177.35 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 42' ' ' GLY . . . . . . . . . . . . . . . 63.07 -7.23 0.31 Allowed Glycine 0 C--N 1.337 0.596 0 N-CA-C 115.331 0.892 . . . . 60.65 115.331 -175.605 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 43' ' ' LYS . . . . . 0.595 ' HB2' ' HB3' ' K' ' 40' ' ' ALA . 1.2 mptt -91.89 166.69 12.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 118.727 1.264 . . . . 71.12 108.028 162.669 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' K' K ' 44' ' ' GLY . . . . . . . . . . . . . . . -83.75 -168.0 42.94 Favored Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 119.816 -1.183 . . . . 50.36 111.496 173.011 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 45' ' ' THR . . . . . . . . . . . . . 1.4 p -74.55 134.29 42.19 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 114.796 -0.702 . . . . 49.53 109.266 174.391 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 46' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -124.3 156.29 37.21 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.692 0.758 . . . . 65.83 110.174 179.031 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 47' ' ' PHE . . . . . 0.411 ' HA ' HD23 ' K' ' 37' ' ' LEU . 85.3 t80 -75.13 132.49 41.24 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 114.486 -1.233 . . . . 34.27 110.062 171.412 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' K' K ' 48' ' ' VAL . . . . . . . . . . . . . 91.4 t -104.53 -60.09 3.07 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 N-CA-C 111.932 0.345 . . . . 31.1 111.932 171.88 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 49' ' ' ALA . . . . . . . . . . . . . . . -155.61 159.5 39.68 Favored 'General case' 0 C--N 1.332 -0.16 0 O-C-N 121.073 -1.017 . . . . 30.41 110.043 -176.132 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 50' ' ' ALA . . . . . . . . . . . . . . . -145.99 152.15 38.92 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.468 0.651 . . . . 32.02 109.966 175.736 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 51' ' ' ILE . . . . . . . . . . . . . 6.3 tt -134.59 130.63 53.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 N-CA-C 107.887 -1.153 . . . . 41.33 107.887 -177.208 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 52' ' ' SER . . . . . 0.687 ' HB3' ' HB2' ' K' ' 56' ' ' ASP . 96.8 p -73.34 154.18 90.13 Favored Pre-proline 0 C--N 1.365 1.24 0 C-N-CA 122.912 0.485 . . . . 53.29 111.209 -175.476 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' K' K ' 52' A PRO . . . . . 0.407 ' HB3' ' O ' ' K' ' 31' ' ' THR . 24.8 Cg_exo -54.03 -42.94 62.69 Favored 'Trans proline' 0 C--N 1.28 -3.07 0 CA-C-N 119.791 0.961 . . . . 58.0 112.767 177.08 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' K' K ' 53' ' ' SER . . . . . . . . . . . . . 4.8 p -62.09 -43.51 98.69 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.497 0.189 . . . . 67.33 111.357 179.843 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 54' ' ' GLY . . . . . . . . . . . . . . . 122.3 -28.31 5.83 Favored Glycine 0 C--N 1.27 -3.131 0 N-CA-C 118.51 2.164 . . . . 59.87 118.51 -175.602 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 55' ' ' GLY . . . . . . . . . . . . . . . -61.31 -51.1 60.26 Favored Glycine 0 C--N 1.341 0.858 0 C-N-CA 120.743 -0.741 . . . . 65.16 113.423 -176.586 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 56' ' ' ASP . . . . . 0.687 ' HB2' ' HB3' ' K' ' 52' ' ' SER . 70.3 m-20 -78.08 122.08 25.13 Favored 'General case' 0 C--O 1.235 0.304 0 O-C-N 122.164 -0.61 . . . . 64.23 111.125 -172.967 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' K' K ' 57' ' ' ARG . . . . . . . . . . . . . 15.1 mtt-85 -128.64 127.96 43.23 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 107.198 -1.408 . . . . 62.21 107.198 165.077 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 58' ' ' ILE . . . . . 0.491 HD11 ' HB3' ' K' ' 100' B SER . 4.8 pt -124.1 144.46 33.81 Favored 'Isoleucine or valine' 0 C--O 1.238 0.485 0 N-CA-C 109.408 -0.59 . . . . 40.45 109.408 177.64 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' K' K ' 59' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -127.75 142.0 51.43 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 123.512 0.725 . . . . 39.42 109.532 -176.644 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.15 141.39 46.42 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.492 -0.929 . . . . 44.61 108.492 162.521 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -55.5 -30.46 60.69 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.059 -0.656 . . . . 67.03 110.944 175.706 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 62' ' ' SER . . . . . 0.472 ' OG ' ' O ' ' K' ' 201' ' ' HOH . 36.7 t -48.72 -36.05 15.46 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 113.324 0.861 . . . . 52.21 113.324 175.68 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' K' K ' 63' ' ' VAL . . . . . . . . . . . . . 27.8 m -123.24 0.56 6.14 Favored 'Isoleucine or valine' 0 C--O 1.241 0.642 0 N-CA-C 113.366 0.876 . . . . 49.4 113.366 -166.21 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 64' ' ' LYS . . . . . . . . . . . . . 24.6 tttp -61.57 137.29 58.24 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 118.603 0.638 . . . . 55.35 111.186 -175.453 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.4 -25.72 6.17 Favored Glycine 0 N--CA 1.436 -1.314 0 CA-C-O 119.467 -0.629 . . . . 46.37 114.048 -174.334 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 66' ' ' ARG . . . . . . . . . . . . . 17.4 mtm180 -100.54 -37.87 8.61 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 117.893 0.847 . . . . 47.57 113.234 -175.28 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 67' ' ' PHE . . . . . . . . . . . . . 7.5 m-30 -105.31 156.16 18.41 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.579 -0.897 . . . . 40.27 108.579 -179.449 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 68' ' ' THR . . . . . . . . . . . . . 53.3 m -144.64 122.72 12.12 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 108.266 -1.013 . . . . 44.13 108.266 177.268 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 69' ' ' ILE . . . . . . . . . . . . . 5.4 tt -89.2 150.2 3.79 Favored 'Isoleucine or valine' 0 C--O 1.241 0.645 0 N-CA-C 108.301 -1.0 . . . . 33.1 108.301 175.146 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 70' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -158.14 159.03 35.75 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 120.092 -0.643 . . . . 45.14 110.363 -172.281 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' K' K ' 71' ' ' ARG . . . . . 0.429 ' HD2' ' O ' ' K' ' 206' ' ' HOH . 10.9 mtp180 -128.48 143.45 50.98 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 115.136 -0.938 . . . . 62.88 109.564 165.488 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' K' K ' 72' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -74.19 167.77 20.92 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 118.14 -1.424 . . . . 52.93 109.661 167.882 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 73' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -66.77 -31.88 72.81 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 119.352 -0.939 . . . . 56.43 112.059 -173.038 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.18 -14.29 62.89 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 113.169 0.803 . . . . 56.32 113.169 -179.57 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 75' ' ' GLY . . . . . 0.483 ' HA3' ' HB2' ' K' ' 30' ' ' ALA . . . 68.86 23.84 75.75 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 119.399 -1.381 . . . . 57.67 113.738 -173.539 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' K' K ' 76' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -100.68 -3.91 29.34 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 113.207 0.818 . . . . 58.66 113.207 177.776 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 77' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -147.05 135.14 21.51 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 118.408 0.549 . . . . 51.57 109.885 -173.632 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 78' ' ' ILE . . . . . . . . . . . . . 2.1 mm -107.05 137.08 39.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 N-CA-C 107.246 -1.39 . . . . 50.9 107.246 162.411 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 79' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -120.31 146.79 45.77 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.459 -0.571 . . . . 49.56 109.459 -178.124 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 80' ' ' LEU . . . . . . . . . . . . . 51.5 tp -126.45 107.19 10.04 Favored 'General case' 0 C--O 1.244 0.798 0 N-CA-C 106.112 -1.81 . . . . 32.4 106.112 168.57 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 81' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -93.82 114.45 26.7 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 106.768 -1.568 . . . . 37.23 106.768 -176.906 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 82' ' ' MET . . . . . . . . . . . . . 57.2 mtp -106.25 118.27 36.2 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.309 -0.997 . . . . 50.16 108.309 -174.849 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 82' A ASN . . . . . 0.433 ' HA ' ' HB2' ' K' ' 17' ' ' SER . 88.2 m-20 -118.73 153.76 33.88 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-O 121.212 0.53 . . . . 46.41 109.873 176.507 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' K' K ' 82' B SER . . . . . . . . . . . . . 18.6 m 57.8 54.23 6.38 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.389 -0.823 . . . . 54.45 110.988 174.796 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 82' C LEU . . . . . 0.64 HD13 HG21 ' K' ' 12' ' ' VAL . 20.3 mt -68.02 141.31 56.25 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.402 -0.919 . . . . 49.58 110.531 -173.137 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' K' K ' 83' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -118.46 158.29 47.3 Favored Pre-proline 0 C--N 1.324 -0.51 0 C-N-CA 123.873 0.869 . . . . 58.72 109.089 175.584 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 84' ' ' PRO . . . . . 0.452 ' HA ' ' HB ' ' K' ' 111' ' ' VAL . 32.8 Cg_exo -61.78 -33.62 84.76 Favored 'Trans proline' 0 N--CA 1.48 0.687 0 N-CA-C 113.483 0.532 . . . . 45.89 113.483 -178.535 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' K' K ' 85' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -52.13 -25.28 8.54 Favored 'General case' 0 C--O 1.243 0.756 0 C-N-CA 120.515 -0.474 . . . . 71.87 112.169 173.286 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 86' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -73.49 -6.38 46.05 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 113.589 0.959 . . . . 46.43 113.589 179.579 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 87' ' ' THR . . . . . . . . . . . . . 37.1 m -62.43 125.68 24.73 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 119.742 1.156 . . . . 38.99 109.939 179.548 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 88' ' ' ALA . . . . . . . . . . . . . . . -174.73 165.11 3.67 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 108.776 -0.824 . . . . 34.42 108.776 -167.947 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 89' ' ' VAL . . . . . . . . . . . . . 66.8 t -95.15 118.44 41.33 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 N-CA-C 108.055 -1.091 . . . . 36.88 108.055 164.758 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 90' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -105.41 138.75 41.11 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 123.165 0.586 . . . . 32.93 109.442 -175.695 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 91' ' ' TYR . . . . . . . . . . . . . 21.1 p90 -149.11 150.55 32.9 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 119.212 -0.995 . . . . 53.01 109.168 175.562 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 92' ' ' CYS . . . . . . . . . . . . . 22.3 p -86.54 156.06 20.23 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 116.031 -2.268 . . . . 71.91 108.225 176.922 68.425 -168.521 115.564 105.82 2.048 102.214 -172.786 70.547 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 93' ' ' ALA . . . . . . . . . . . . . . . -142.54 156.65 45.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.794 -0.639 . . . . 35.41 109.358 -175.332 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 94' ' ' VAL . . . . . 0.538 HG23 ' HB2' ' K' ' 103' ' ' TRP . 3.0 t -104.07 127.33 58.37 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.379 0 N-CA-C 108.466 -0.939 . . . . 40.67 108.466 176.886 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' K' K ' 95' ' ' ARG . . . . . . . . . . . . . 33.2 ttt180 -73.22 110.16 7.3 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 108.41 -0.959 . . . . 43.2 108.41 169.759 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 96' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -112.51 -25.05 9.36 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 114.008 1.114 . . . . 74.6 114.008 179.939 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 97' ' ' ARG . . . . . . . . . . . . . 47.9 mtm-85 -111.72 165.25 12.21 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 118.917 0.781 . . . . 41.48 109.656 176.549 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 98' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -137.68 30.06 2.6 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.867 -0.606 . . . . 45.68 111.789 -173.912 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 99' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -75.47 -11.73 60.09 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 113.71 1.004 . . . . 66.04 113.71 177.265 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 100' ' ' GLY . . . . . . . . . . . . . . . -130.13 -164.91 11.48 Favored Glycine 0 C--N 1.334 0.426 0 C-N-CA 120.961 -0.638 . . . . 42.13 113.192 174.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 100' A THR . . . . . . . . . . . . . 10.3 p -82.52 -171.43 3.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 122.133 0.968 . . . . 36.41 109.407 169.41 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 100' B SER . . . . . 0.491 ' HB3' HD11 ' K' ' 58' ' ' ILE . 1.0 OUTLIER -76.7 -14.43 59.95 Favored 'General case' 0 N--CA 1.453 -0.283 0 O-C-N 120.967 -1.083 . . . . 46.79 112.315 -177.943 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' K' K ' 100' C TYR . . . . . . . . . . . . . 76.2 m-85 -80.02 -11.76 59.75 Favored 'General case' 0 C--O 1.241 0.616 0 C-N-CA 123.706 0.802 . . . . 47.66 112.496 178.363 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 100' D TYR . . . . . . . . . . . . . 16.8 t80 -82.47 109.14 16.43 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 109.192 -0.67 . . . . 35.16 109.192 -171.652 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 100' E THR . . . . . . . . . . . . . 3.5 p -62.93 -25.25 68.25 Favored 'General case' 0 C--N 1.345 0.379 0 N-CA-C 112.35 0.5 . . . . 35.56 112.35 -176.552 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 100' F GLY . . . . . . . . . . . . . . . -69.11 -11.33 63.63 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 119.905 -1.141 . . . . 33.22 115.238 177.668 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 100' G ASP . . . . . . . . . . . . . 9.0 m-20 -81.0 -2.84 49.58 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-N 118.86 1.33 . . . . 42.2 113.744 177.697 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 100' H TYR . . . . . . . . . . . . . 88.0 m-85 -116.54 152.67 33.64 Favored 'General case' 0 C--N 1.342 0.259 0 C-N-CA 124.14 0.976 . . . . 36.88 110.85 -168.395 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 101' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -120.45 138.76 53.62 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 108.559 -0.904 . . . . 52.23 108.559 170.531 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 102' ' ' SER . . . . . . . . . . . . . 1.2 p -62.68 135.02 57.16 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 119.382 -0.927 . . . . 43.38 109.456 -179.601 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 103' ' ' TRP . . . . . 0.538 ' HB2' HG23 ' K' ' 94' ' ' VAL . 33.6 t-105 -109.31 -45.25 3.76 Favored 'General case' 0 CA--C 1.515 -0.402 0 N-CA-C 113.339 0.866 . . . . 56.88 113.339 -178.744 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' K' K ' 104' ' ' GLY . . . . . . . . . . . . . . . -107.29 174.89 20.06 Favored Glycine 0 N--CA 1.441 -1.023 0 CA-C-O 122.449 1.027 . . . . 55.04 111.599 179.778 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 105' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -79.76 147.05 32.02 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 114.051 -1.075 . . . . 76.56 110.104 177.277 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 106' ' ' GLY . . . . . . . . . . . . . . . -75.49 152.67 43.36 Favored Glycine 0 C--N 1.334 0.446 0 C-N-CA 120.578 -0.82 . . . . 45.12 112.416 -174.765 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 107' ' ' THR . . . . . . . . . . . . . 53.0 m -126.29 111.92 15.11 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 106.631 -1.618 . . . . 46.3 106.631 175.794 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 108' ' ' LEU . . . . . . . . . . . . . 18.7 tp -65.61 124.06 21.36 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.137 -1.06 . . . . 39.86 108.137 172.053 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 109' ' ' VAL . . . . . . . . . . . . . 94.5 t -114.43 118.92 60.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 105.83 -1.915 . . . . 32.91 105.83 174.941 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 110' ' ' THR . . . . . . . . . . . . . 11.5 p -117.51 122.58 44.09 Favored 'General case' 0 C--O 1.24 0.577 0 N-CA-C 107.84 -1.17 . . . . 50.6 107.84 179.238 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 111' ' ' VAL . . . . . 0.452 ' HB ' ' HA ' ' K' ' 84' ' ' PRO . 3.5 t -108.39 117.84 54.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 C-N-CA 124.244 1.018 . . . . 48.66 108.774 -177.349 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' K' K ' 112' ' ' SER . . . . . . . . . . . . . 4.9 p -97.54 131.1 44.46 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 122.985 0.514 . . . . 62.71 110.659 178.484 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 113' ' ' SER . . . . . . . . . . . . . 21.4 t . . . . . 0 C--O 1.238 0.487 0 O-C-N 123.729 0.643 . . . . 84.04 110.229 168.524 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 201' ' ' HOH . . . . . 0.738 ' O ' ' NZ ' ' H' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 210' ' ' HOH . . . . . 0.441 ' O ' ' HD3' ' I' ' 71' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' J' J ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' J' J ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' J' J ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' J' J ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' J' J ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' K' K ' 201' ' ' HOH . . . . . 0.472 ' O ' ' OG ' ' K' ' 62' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' K' K ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' K' K ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' K' K ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' K' K ' 206' ' ' HOH . . . . . 0.429 ' O ' ' HD2' ' K' ' 71' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_