data_2jrd_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2jrd _Structure_validation_residue.Date_analyzed 2016-10-07 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 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.58 -50.87 16.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 0.779 . . . . 0.0 109.245 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -49.4 -24.74 2.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.3 -26.83 54.03 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.504 1.128 . . . . 0.0 110.983 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -81.61 -38.67 25.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 0.763 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.1 mt -46.69 -39.32 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.19 -36.33 51.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -55.02 -38.07 64.69 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.508 1.13 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.15 -36.46 21.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 0.722 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.91 -26.81 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.21 -24.7 19.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.298 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -131.2 -8.93 3.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.65 -29.98 75.61 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.51 -48.9 14.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.766 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -49.88 -25.02 2.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.88 -27.11 54.44 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -80.78 -39.12 27.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.759 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.1 mt -46.69 -39.16 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.02 -35.92 48.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -55.44 -38.18 68.98 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.427 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.17 -35.15 21.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 0.788 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.66 -26.88 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' A' ' 9' ' ' ALA . 3.9 mm-40 -53.86 -24.75 16.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.254 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -131.06 -8.94 3.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.57 -30.1 75.87 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.455 1.097 . . . . 0.0 110.981 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.62 -50.38 15.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.775 . . . . 0.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -49.46 -24.73 2.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 111.059 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.28 -26.62 54.55 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.499 1.124 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.98 -38.91 24.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 0.765 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.1 mt -46.59 -39.27 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.22 -35.57 37.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.07 -38.07 83.46 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.467 1.104 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.424 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.22 -36.59 20.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.767 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.86 -26.79 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 9' ' ' ALA . 0.3 OUTLIER -54.07 -24.88 19.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.32 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -131.08 -9.04 3.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.58 -30.06 75.79 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.444 1.09 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 5' ' ' ALA . 0.6 OUTLIER -77.8 -48.6 16.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 0.763 . . . . 0.0 109.311 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -50.39 -24.64 3.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.24 -26.87 54.1 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -80.82 -38.92 27.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.762 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.61 -39.29 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.67 -37.31 63.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -53.23 -37.89 55.7 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.475 1.109 . . . . 0.0 111.0 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.427 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.1 -36.73 20.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.59 -26.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' A' ' 9' ' ' ALA . 5.4 mt-10 -53.76 -24.73 16.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.3 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -131.04 -8.96 3.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.57 -30.16 75.97 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.53 -50.42 15.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 0.762 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -49.73 -24.68 2.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.29 -26.89 53.93 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.463 1.102 . . . . 0.0 111.025 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -81.37 -38.88 25.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 0.773 . . . . 0.0 109.245 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.4 -39.35 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.01 -37.36 61.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -53.9 -37.78 58.59 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.4 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.12 -37.42 20.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.757 . . . . 0.0 109.277 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.56 -26.93 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.353 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.4 ' N ' ' C ' ' A' ' 9' ' ' ALA . 21.0 mt-10 -53.72 -24.76 15.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.282 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -131.0 -8.94 3.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.59 -30.02 75.72 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 5' ' ' ALA . 0.4 OUTLIER -74.99 -50.74 15.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 0.0 109.266 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -49.47 -24.63 2.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.4 -26.8 53.84 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -81.65 -38.82 25.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 0.784 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.1 mt -46.38 -39.44 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.61 -37.24 57.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -54.28 -37.78 60.37 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.512 1.133 . . . . 0.0 110.984 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.427 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.19 -36.5 20.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 0.737 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.1 mt -44.82 -26.83 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' A' ' 9' ' ' ALA . 31.3 mt-10 -53.96 -24.73 17.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -130.98 -8.91 3.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.61 -29.28 74.5 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.48 1.112 . . . . 0.0 111.033 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.11 -50.7 15.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 0.785 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -49.36 -24.41 1.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.55 -27.0 52.96 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.47 1.106 . . . . 0.0 111.039 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -81.59 -38.84 25.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 0.779 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.1 mt -46.34 -39.53 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.24 -37.01 54.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.267 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -54.41 -37.88 61.23 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.404 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.2 -36.48 20.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.76 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.3 mt -44.86 -26.85 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 9' ' ' ALA . 2.3 mm-40 -54.27 -24.76 20.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -131.14 -8.96 3.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.14 . . . . 0.0 109.31 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.66 -29.06 74.15 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.544 1.153 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.23 -47.7 22.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 0.73 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -50.37 -24.63 3.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.44 -25.98 55.64 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -81.95 -38.76 24.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 0.77 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.71 -39.28 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.54 -37.03 62.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.347 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -53.38 -37.85 56.29 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.17 -36.46 21.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 0.783 . . . . 0.0 109.329 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.73 -26.86 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.96 -24.88 18.1 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.55 1.156 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -131.08 -9.04 3.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.5 -30.08 75.88 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.474 1.109 . . . . 0.0 111.03 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER -77.11 -47.71 19.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -50.43 -24.65 3.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.997 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.33 -26.11 55.58 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -81.84 -38.9 24.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.59 -39.23 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.355 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.13 -37.06 61.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.272 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -53.76 -37.91 58.2 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.426 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.17 -35.56 21.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.77 -26.81 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.426 ' N ' ' C ' ' A' ' 9' ' ' ALA . 0.8 OUTLIER -54.06 -24.72 18.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.276 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -131.09 -8.99 3.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.61 -30.07 75.79 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.495 1.122 . . . . 0.0 111.037 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.53 -50.33 15.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 0.797 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -49.51 -24.83 2.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 111.034 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.24 -26.53 54.85 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.99 -39.15 24.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.47 -39.32 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.252 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.92 -35.59 34.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.97 -38.34 84.52 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.137 . . . . 0.0 110.971 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.421 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.2 -35.33 21.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 0.751 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.1 mt -45.35 -26.51 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.421 ' N ' ' C ' ' A' ' 9' ' ' ALA . 1.2 tm-20 -54.99 -24.73 25.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -131.06 -9.09 3.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.64 -29.39 74.68 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 5' ' ' ALA . 0.4 OUTLIER -75.82 -50.35 15.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 0.758 . . . . 0.0 109.313 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -49.26 -25.26 2.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.74 -26.45 56.3 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.53 1.144 . . . . 0.0 110.961 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 2' ' ' LEU . . . -82.59 -40.05 21.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.77 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.4 mt -45.68 -39.44 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -48.07 -34.76 10.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.52 -38.78 96.36 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.16 -37.95 19.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 109.267 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -45.32 -26.64 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -54.89 -24.79 25.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -131.17 -9.01 3.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 109.318 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.63 -29.41 74.72 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.459 1.099 . . . . 0.0 110.974 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.79 -50.08 16.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 0.74 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -49.79 -24.64 2.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.41 -26.6 54.26 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -81.57 -38.76 25.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 0.776 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.54 -39.29 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.27 -37.26 61.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -53.49 -37.73 56.58 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.417 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.2 -35.48 21.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 109.298 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -45.36 -26.55 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.417 ' N ' ' C ' ' A' ' 9' ' ' ALA . 41.1 mm-40 -55.09 -24.89 27.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -131.11 -9.14 3.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.57 -30.0 75.7 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.478 1.111 . . . . 0.0 110.983 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.11 -46.45 34.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -50.8 -24.76 3.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 111.002 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.28 -26.03 55.89 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.439 1.087 . . . . 0.0 110.956 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -81.56 -38.73 25.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 0.0 109.341 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.1 mt -47.01 -39.06 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.51 -36.18 61.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -54.14 -37.97 60.17 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.401 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.22 -36.37 21.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 0.775 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -45.04 -26.69 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 9' ' ' ALA . 26.3 mt-10 -54.56 -24.79 22.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -131.1 -8.98 3.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.68 -29.84 75.37 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.91 -48.35 58.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 0.766 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -50.14 -24.64 2.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.45 -25.93 55.72 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.425 1.078 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -82.39 -39.11 23.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.3 mt -46.23 -39.45 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.35 -37.64 56.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -54.19 -37.8 59.99 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.487 1.117 . . . . 0.0 111.033 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.405 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.12 -36.74 20.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 0.776 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.86 -26.77 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 9' ' ' ALA . 4.6 mm-40 -54.07 -24.69 18.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -131.06 -8.94 3.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.62 -30.01 75.68 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.514 1.134 . . . . 0.0 111.041 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 5' ' ' ALA . 9.3 tp -74.89 -50.76 15.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 0.789 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -49.14 -25.46 2.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 110.959 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.55 -26.67 56.35 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.491 1.119 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 2' ' ' LEU . . . -82.37 -40.12 21.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.4 mt -45.64 -39.38 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -47.82 -35.34 10.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.5 -38.71 96.24 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.446 1.091 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.424 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.15 -38.19 19.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 0.775 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -45.34 -26.6 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 9' ' ' ALA . 6.2 mm-40 -55.04 -24.93 27.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.102 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -131.17 -9.11 3.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.65 -29.73 75.21 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.87 -50.32 15.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 0.773 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -49.4 -24.9 2.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.13 -26.52 55.17 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.444 1.09 . . . . 0.0 110.964 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.18 -39.0 23.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 0.777 . . . . 0.0 109.319 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.47 -39.28 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.01 -36.09 37.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.334 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.51 -38.09 78.73 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.516 1.135 . . . . 0.0 111.028 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.404 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.21 -36.46 20.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 0.758 . . . . 0.0 109.257 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.96 -26.76 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -54.22 -24.81 19.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -131.14 -8.94 3.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.61 -29.42 74.74 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.474 1.109 . . . . 0.0 110.967 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.88 -48.66 52.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 0.785 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -49.47 -25.19 2.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.89 -25.98 56.9 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.02 -39.33 21.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 0.776 . . . . 0.0 109.305 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.3 mt -46.17 -39.48 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.19 -35.0 15.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.46 -38.36 93.41 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.122 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.424 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.2 -36.37 21.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.773 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.99 -26.78 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 9' ' ' ALA . 0.2 OUTLIER -54.25 -24.91 20.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.311 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -131.12 -9.02 3.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.67 -29.22 74.39 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.62 -47.93 61.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 0.733 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -50.27 -24.64 3.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.34 -26.12 55.53 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.468 1.105 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -82.0 -38.94 24.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.59 -39.28 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.45 -36.82 55.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -55.05 -37.88 64.46 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.464 1.103 . . . . 0.0 110.983 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.12 -36.6 21.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 109.373 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.1 mt -44.91 -26.72 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -54.29 -24.73 20.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -131.06 -8.97 3.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.61 -30.0 75.66 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 5' ' ' ALA . 0.4 OUTLIER -70.19 -48.5 56.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 0.765 . . . . 0.0 109.315 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -49.28 -25.07 2.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.96 -26.44 55.75 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.566 1.166 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 2' ' ' LEU . . . -82.53 -39.54 22.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.756 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.3 mt -46.01 -39.41 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.21 -35.53 17.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -58.97 -38.23 92.48 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.416 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.24 -35.57 21.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 0.748 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -45.25 -26.62 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.346 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 9' ' ' ALA . 1.5 mm-40 -55.06 -24.96 27.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.269 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 23.3 p30 -131.19 -9.05 3.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.66 -29.27 74.48 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.475 1.109 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 5' ' ' ALA . 1.0 OUTLIER -74.77 -50.9 15.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.769 . . . . 0.0 109.333 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -49.25 -24.87 1.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 0.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.0 -27.03 54.37 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.541 1.151 . . . . 0.0 110.963 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 2' ' ' LEU . . . -81.84 -39.57 23.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 0.792 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.3 mt -46.11 -39.37 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.21 -35.11 16.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.71 -38.44 93.84 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.426 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.18 -37.7 19.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 0.793 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.61 -26.84 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.426 ' N ' ' C ' ' A' ' 9' ' ' ALA . 7.7 pt-20 -54.16 -29.92 47.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -130.9 -9.19 3.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -66.75 -30.1 75.73 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 5' ' ' ALA . 0.7 OUTLIER -75.77 -48.66 20.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 109.315 179.98 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -50.34 -24.62 3.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.25 -26.71 54.44 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.558 1.161 . . . . 0.0 110.969 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -81.26 -39.05 25.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 0.765 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.38 -39.33 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.16 -37.65 62.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -53.37 -37.69 55.94 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.539 1.15 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.429 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.23 -36.84 20.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.7 -26.95 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.579 1.174 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.429 ' N ' ' C ' ' A' ' 9' ' ' ALA . 32.5 mt-10 -53.87 -24.84 17.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.348 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -131.02 -9.05 3.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.51 -30.12 75.94 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.538 1.148 . . . . 0.0 111.001 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.42 -48.58 16.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 0.797 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -50.17 -24.74 2.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.23 -26.6 54.72 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -81.36 -38.82 26.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 0.775 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.1 mt -46.65 -39.25 4.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.36 -37.2 62.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -53.45 -37.83 56.61 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.437 1.085 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.43 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.17 -36.72 20.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 0.779 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.59 -26.83 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.43 ' N ' ' C ' ' A' ' 9' ' ' ALA . 9.7 pt-20 -54.2 -29.84 47.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.095 . . . . 0.0 110.27 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 17.9 p30 -130.94 -9.26 3.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -66.67 -30.11 75.81 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 5' ' ' ALA . 0.4 OUTLIER -73.86 -50.94 17.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 0.0 109.293 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -49.5 -24.65 2.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.45 -26.45 54.5 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -82.12 -38.79 24.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 0.759 . . . . 0.0 109.349 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.35 -39.39 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.309 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.57 -37.35 57.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -53.98 -37.81 59.06 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 0.0 111.036 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.418 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.21 -36.27 21.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 0.757 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -45.33 -26.68 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.418 ' N ' ' C ' ' A' ' 9' ' ' ALA . 5.8 mt-10 -55.05 -24.94 27.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -131.2 -9.1 3.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.78 -29.91 75.41 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.96 -48.75 15.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.763 . . . . 0.0 109.256 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -50.47 -24.58 3.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.997 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.27 -26.51 54.83 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 179.927 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -81.22 -38.76 26.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 0.79 . . . . 0.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.1 mt -46.84 -39.16 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.71 -36.68 62.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -53.64 -37.82 57.43 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.43 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.27 -36.37 20.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.777 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.84 -26.73 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.43 ' N ' ' C ' ' A' ' 9' ' ' ALA . 9.7 pt-20 -54.39 -29.61 49.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 110.268 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -130.91 -9.08 3.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -66.75 -30.05 75.65 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.549 1.155 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 5' ' ' ALA . 1.0 OUTLIER -77.15 -49.54 14.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 0.742 . . . . 0.0 109.32 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -49.31 -25.21 2.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.78 -26.22 56.65 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.121 . . . . 0.0 110.948 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 2' ' ' LEU . . . -83.12 -40.19 20.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 0.786 . . . . 0.0 109.247 -179.944 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -45.45 -39.49 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -47.63 -35.0 8.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.45 -39.2 97.49 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.435 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.16 -40.29 16.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.44 -26.83 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.435 ' N ' ' C ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -53.78 -30.29 44.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.422 ' N ' ' HG3' ' A' ' 11' ' ' GLU . 12.6 p30 -131.13 -9.42 3.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -66.96 -30.06 75.5 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.467 1.105 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.401 ' O ' ' N ' ' A' ' 5' ' ' ALA . 0.6 OUTLIER -74.15 -47.99 32.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.772 . . . . 0.0 109.277 -179.984 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -49.95 -24.91 2.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.992 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.16 -25.7 56.89 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.512 1.132 . . . . 0.0 111.005 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 2' ' ' LEU . . . -82.81 -39.15 22.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.52 -39.25 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.157 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.3 -34.82 24.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.22 -38.68 62.2 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 0.0 110.955 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 13' ' ' GLY . . . -85.3 -36.12 21.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 0.748 . . . . 0.0 109.342 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.0 mt -46.16 -32.35 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.19 -24.58 7.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 -130.92 -8.96 3.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.425 1.078 . . . . 0.0 109.35 179.945 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -66.63 -30.12 75.86 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.6 -49.63 20.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 0.778 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -49.66 -24.81 2.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.21 -26.49 55.02 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.523 1.139 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -82.12 -39.6 23.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 0.724 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.5 mt -45.56 -39.66 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.344 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.59 -39.09 57.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 179.958 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -53.51 -37.8 56.83 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 0.0 111.039 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.44 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.16 -37.62 19.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 0.758 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -43.53 -27.17 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.44 ' N ' ' C ' ' A' ' 9' ' ' ALA . 7.7 pt-20 -52.89 -31.51 40.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -131.11 -10.53 3.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.937 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -67.49 -30.03 74.66 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.481 1.113 . . . . 0.0 110.967 -179.93 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 5' ' ' ALA . 0.6 OUTLIER -74.96 -49.94 18.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 0.778 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -49.24 -25.41 2.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.58 -26.78 56.06 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.538 1.149 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 2' ' ' LEU . . . -81.92 -39.42 23.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 0.771 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.16 -39.35 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.75 -35.66 23.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -58.7 -38.47 91.84 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.504 1.127 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 13' ' ' GLY . . . -85.09 -38.79 18.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.785 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -43.41 -27.16 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' ' 9' ' ' ALA . 7.1 pt-20 -52.77 -31.72 39.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.32 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -131.2 -10.39 3.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -67.37 -30.12 74.94 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.475 1.109 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.52 -50.43 15.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 0.776 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -49.39 -24.92 2.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.1 -26.65 54.95 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.467 1.104 . . . . 0.0 111.052 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.9 -39.04 24.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 0.779 . . . . 0.0 109.241 -179.959 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.61 -39.19 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.961 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.81 -34.91 29.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -53.64 -38.67 59.22 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.51 1.131 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 13' ' ' GLY . . . -85.29 -37.29 20.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.3 mt -44.57 -31.77 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -50.75 -27.72 7.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -130.83 -9.08 3.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -66.7 -30.04 75.67 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.93 -49.68 15.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 0.771 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -49.53 -24.91 2.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.15 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.13 -26.22 55.81 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.5 -39.28 22.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 0.783 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.39 -39.27 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.958 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.01 -35.42 24.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -53.91 -38.55 60.31 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.528 1.142 . . . . 0.0 110.976 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 13' ' ' GLY . . . -85.33 -36.91 20.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 0.757 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.3 mt -44.59 -31.72 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.957 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -50.75 -27.81 7.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.297 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -130.77 -9.1 3.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -66.64 -30.09 75.79 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.535 1.147 . . . . 0.0 111.037 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.58 -50.87 16.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 0.779 . . . . 0.0 109.245 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -49.4 -24.74 2.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.3 -26.83 54.03 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.504 1.128 . . . . 0.0 110.983 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -81.61 -38.67 25.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 0.763 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.1 mt -46.69 -39.32 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.19 -36.33 51.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -55.02 -38.07 64.69 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.508 1.13 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.15 -36.46 21.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 0.722 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.91 -26.81 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.21 -24.7 19.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.298 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -131.2 -8.93 3.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.65 -29.98 75.61 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.417 ' NE1' HD13 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -59.84 -32.25 70.5 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -47.97 -23.85 0.9 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.1 -35.81 57.14 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.48 1.112 . . . . 0.0 111.023 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 55.8 mtt -83.13 -8.81 59.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.756 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.417 HD13 ' NE1' ' A' ' 14' ' ' TRP . 5.8 mt -62.88 -59.68 3.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -60.06 127.06 29.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.132 . . . . 0.0 110.993 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.51 -48.9 14.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.766 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -49.88 -25.02 2.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.88 -27.11 54.44 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -80.78 -39.12 27.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.759 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.1 mt -46.69 -39.16 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.02 -35.92 48.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -55.44 -38.18 68.98 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.427 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.17 -35.15 21.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 0.788 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.66 -26.88 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' A' ' 9' ' ' ALA . 3.9 mm-40 -53.86 -24.75 16.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.254 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -131.06 -8.94 3.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.57 -30.1 75.87 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.455 1.097 . . . . 0.0 110.981 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.413 ' O ' ' N ' ' A' ' 17' ' ' MET . 0.0 OUTLIER -58.33 -27.85 64.52 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -43.23 -27.65 0.25 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.39 -44.99 25.83 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.517 1.136 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.413 ' N ' ' O ' ' A' ' 14' ' ' TRP . 5.0 mtt -66.36 -8.85 28.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 110.962 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.409 HD12 ' NE1' ' A' ' 14' ' ' TRP . 5.9 mt -69.69 -53.5 24.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -46.22 105.7 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.941 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.62 -50.38 15.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.775 . . . . 0.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -49.46 -24.73 2.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 111.059 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.28 -26.62 54.55 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.499 1.124 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.98 -38.91 24.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 0.765 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.1 mt -46.59 -39.27 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.22 -35.57 37.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.07 -38.07 83.46 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.467 1.104 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.424 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.22 -36.59 20.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.767 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.86 -26.79 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 9' ' ' ALA . 0.3 OUTLIER -54.07 -24.88 19.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.32 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -131.08 -9.04 3.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.58 -30.06 75.79 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.444 1.09 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.434 ' O ' ' N ' ' A' ' 17' ' ' MET . 0.0 OUTLIER -59.47 -31.64 69.52 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -46.56 -26.12 0.83 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.29 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.01 -35.18 83.54 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.52 1.138 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -78.58 -8.81 59.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.775 . . . . 0.0 111.004 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 6.4 mt -76.05 -39.03 36.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.44 128.82 37.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.513 1.133 . . . . 0.0 111.035 -179.943 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 5' ' ' ALA . 0.6 OUTLIER -77.8 -48.6 16.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 0.763 . . . . 0.0 109.311 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -50.39 -24.64 3.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.24 -26.87 54.1 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -80.82 -38.92 27.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.762 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.61 -39.29 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.67 -37.31 63.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -53.23 -37.89 55.7 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.475 1.109 . . . . 0.0 111.0 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.427 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.1 -36.73 20.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.59 -26.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' A' ' 9' ' ' ALA . 5.4 mt-10 -53.76 -24.73 16.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.3 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -131.04 -8.96 3.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.57 -30.16 75.97 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -23.27 57.45 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -43.67 -36.7 2.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.73 -34.58 36.85 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.2 tmm? -78.69 -8.9 59.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 0.789 . . . . 0.0 110.955 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.6 mt -89.78 -51.14 12.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 50.98 179.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 110.968 -179.961 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.53 -50.42 15.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 0.762 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -49.73 -24.68 2.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.29 -26.89 53.93 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.463 1.102 . . . . 0.0 111.025 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -81.37 -38.88 25.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 0.773 . . . . 0.0 109.245 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.4 -39.35 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.01 -37.36 61.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -53.9 -37.78 58.59 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.4 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.12 -37.42 20.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.757 . . . . 0.0 109.277 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.56 -26.93 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.353 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.4 ' N ' ' C ' ' A' ' 9' ' ' ALA . 21.0 mt-10 -53.72 -24.76 15.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.282 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -131.0 -8.94 3.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.59 -30.02 75.72 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.494 ' CD1' HG13 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -59.27 -34.1 71.85 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -50.2 -22.35 1.69 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.67 -32.12 67.4 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.462 1.101 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 9.1 mtt -92.27 -8.89 43.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 0.765 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.494 HG13 ' CD1' ' A' ' 14' ' ' TRP . 4.4 mt -57.56 -37.1 56.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.342 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -69.65 -50.49 43.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 5' ' ' ALA . 0.4 OUTLIER -74.99 -50.74 15.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 0.0 109.266 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -49.47 -24.63 2.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.4 -26.8 53.84 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -81.65 -38.82 25.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 0.784 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.1 mt -46.38 -39.44 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.61 -37.24 57.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -54.28 -37.78 60.37 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.512 1.133 . . . . 0.0 110.984 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.427 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.19 -36.5 20.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 0.737 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.1 mt -44.82 -26.83 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' A' ' 9' ' ' ALA . 31.3 mt-10 -53.96 -24.73 17.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -130.98 -8.91 3.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.61 -29.28 74.5 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.48 1.112 . . . . 0.0 111.033 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.514 ' CD1' HG12 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -61.33 -27.33 68.42 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.17 -45.8 5.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.85 -31.47 67.23 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.512 1.133 . . . . 0.0 111.011 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 14' ' ' TRP . 2.1 tmm? -75.85 -8.8 57.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 0.763 . . . . 0.0 110.97 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.514 HG12 ' CD1' ' A' ' 14' ' ' TRP . 6.9 mt -65.92 -63.97 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.13 99.77 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.569 1.168 . . . . 0.0 110.996 -179.978 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.11 -50.7 15.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 0.785 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -49.36 -24.41 1.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.55 -27.0 52.96 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.47 1.106 . . . . 0.0 111.039 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -81.59 -38.84 25.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 0.779 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.1 mt -46.34 -39.53 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.24 -37.01 54.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.267 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -54.41 -37.88 61.23 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.404 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.2 -36.48 20.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.76 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.3 mt -44.86 -26.85 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 9' ' ' ALA . 2.3 mm-40 -54.27 -24.76 20.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -131.14 -8.96 3.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.14 . . . . 0.0 109.31 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.66 -29.06 74.15 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.544 1.153 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.442 ' O ' ' N ' ' A' ' 17' ' ' MET . 0.0 OUTLIER -62.07 -32.62 73.17 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -41.46 -34.28 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.297 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.7 -42.96 37.56 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -66.15 -8.85 26.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.76 . . . . 0.0 111.007 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.415 ' CD1' ' NE1' ' A' ' 14' ' ' TRP . 6.0 mt -68.22 -62.42 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.098 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -53.9 117.95 3.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.12 . . . . 0.0 110.984 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.23 -47.7 22.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 0.73 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -50.37 -24.63 3.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.44 -25.98 55.64 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -81.95 -38.76 24.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 0.77 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.71 -39.28 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.54 -37.03 62.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.347 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -53.38 -37.85 56.29 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.17 -36.46 21.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 0.783 . . . . 0.0 109.329 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.73 -26.86 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.96 -24.88 18.1 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.55 1.156 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -131.08 -9.04 3.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.5 -30.08 75.88 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.474 1.109 . . . . 0.0 111.03 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.415 ' NE1' HD13 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -59.29 -31.94 69.58 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.52 -22.87 1.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.14 -28.51 66.22 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.43 -8.94 46.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 0.781 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.415 HD13 ' NE1' ' A' ' 14' ' ' TRP . 5.1 mt -62.85 -40.15 87.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -69.44 100.9 1.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.485 1.115 . . . . 0.0 111.024 -179.981 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER -77.11 -47.71 19.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -50.43 -24.65 3.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.997 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.33 -26.11 55.58 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -81.84 -38.9 24.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.59 -39.23 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.355 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.13 -37.06 61.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.272 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -53.76 -37.91 58.2 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.426 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.17 -35.56 21.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.77 -26.81 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.426 ' N ' ' C ' ' A' ' 9' ' ' ALA . 0.8 OUTLIER -54.06 -24.72 18.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.276 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -131.09 -8.99 3.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.61 -30.07 75.79 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.495 1.122 . . . . 0.0 111.037 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.47 ' CD1' HG12 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -59.34 -26.8 65.35 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -40.88 -42.37 1.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.76 -39.28 66.16 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.5 1.125 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 14' ' ' TRP . 0.3 OUTLIER -66.59 -8.86 29.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 0.793 . . . . 0.0 111.016 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.47 HG12 ' CD1' ' A' ' 14' ' ' TRP . 5.2 mt -69.36 -62.29 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.0 t0 40.37 69.56 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 -179.983 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.53 -50.33 15.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 0.797 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -49.51 -24.83 2.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 111.034 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.24 -26.53 54.85 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.99 -39.15 24.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.47 -39.32 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.252 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.92 -35.59 34.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.97 -38.34 84.52 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.137 . . . . 0.0 110.971 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.421 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.2 -35.33 21.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 0.751 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.1 mt -45.35 -26.51 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.421 ' N ' ' C ' ' A' ' 9' ' ' ALA . 1.2 tm-20 -54.99 -24.73 25.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -131.06 -9.09 3.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.64 -29.39 74.68 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.472 ' CD1' ' CG1' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -62.18 -34.7 76.92 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -40.77 -34.08 0.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.296 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.94 -43.51 22.03 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -68.06 -8.71 40.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.768 . . . . 0.0 110.991 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.472 ' CG1' ' CD1' ' A' ' 14' ' ' TRP . 7.2 mt -62.43 -64.76 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -52.96 170.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 179.96 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 5' ' ' ALA . 0.4 OUTLIER -75.82 -50.35 15.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 0.758 . . . . 0.0 109.313 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -49.26 -25.26 2.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.74 -26.45 56.3 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.53 1.144 . . . . 0.0 110.961 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 2' ' ' LEU . . . -82.59 -40.05 21.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.77 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.4 mt -45.68 -39.44 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -48.07 -34.76 10.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.52 -38.78 96.36 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.16 -37.95 19.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 109.267 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -45.32 -26.64 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -54.89 -24.79 25.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -131.17 -9.01 3.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 109.318 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.63 -29.41 74.72 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.459 1.099 . . . . 0.0 110.974 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.446 ' O ' ' N ' ' A' ' 17' ' ' MET . 0.0 OUTLIER -62.42 -34.6 77.08 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -42.45 -32.65 0.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.98 -41.25 28.09 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.528 1.142 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' ' 14' ' ' TRP . 9.0 mtt -71.14 -8.76 55.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 0.766 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.444 ' CG1' ' CD1' ' A' ' 14' ' ' TRP . 7.4 mt -62.89 -58.78 6.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -75.06 110.17 9.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 109.329 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 -179.95 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.79 -50.08 16.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 0.74 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -49.79 -24.64 2.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.41 -26.6 54.26 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -81.57 -38.76 25.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 0.776 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.54 -39.29 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.27 -37.26 61.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -53.49 -37.73 56.58 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.417 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.2 -35.48 21.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 109.298 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -45.36 -26.55 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.417 ' N ' ' C ' ' A' ' 9' ' ' ALA . 41.1 mm-40 -55.09 -24.89 27.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -131.11 -9.14 3.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.57 -30.0 75.7 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.478 1.111 . . . . 0.0 110.983 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.44 ' NE1' ' CD1' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -62.9 -38.09 89.57 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.85 -26.55 0.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.355 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.92 -45.83 11.57 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -8.83 56.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.747 . . . . 0.0 110.945 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.44 ' CD1' ' NE1' ' A' ' 14' ' ' TRP . 6.9 mt -59.26 -64.03 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -53.3 142.74 20.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 179.99 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.11 -46.45 34.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -50.8 -24.76 3.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 111.002 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.28 -26.03 55.89 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.439 1.087 . . . . 0.0 110.956 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -81.56 -38.73 25.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 0.0 109.341 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.1 mt -47.01 -39.06 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.51 -36.18 61.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -54.14 -37.97 60.17 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.401 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.22 -36.37 21.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 0.775 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -45.04 -26.69 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 9' ' ' ALA . 26.3 mt-10 -54.56 -24.79 22.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -131.1 -8.98 3.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.68 -29.84 75.37 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.414 ' NE1' HD13 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -60.48 -34.04 73.46 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -50.17 -27.71 6.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.25 -23.9 76.15 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.485 1.115 . . . . 0.0 111.035 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 21.7 mtp -97.33 -8.8 28.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 0.738 . . . . 0.0 110.932 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.414 HD13 ' NE1' ' A' ' 14' ' ' TRP . 4.6 mt -61.73 -51.81 68.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -64.33 116.71 6.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.48 1.112 . . . . 0.0 110.95 179.988 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.91 -48.35 58.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 0.766 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -50.14 -24.64 2.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.45 -25.93 55.72 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.425 1.078 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -82.39 -39.11 23.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.3 mt -46.23 -39.45 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.35 -37.64 56.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -54.19 -37.8 59.99 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.487 1.117 . . . . 0.0 111.033 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.405 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.12 -36.74 20.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 0.776 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.86 -26.77 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 9' ' ' ALA . 4.6 mm-40 -54.07 -24.69 18.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.404 ' O ' ' CG ' ' A' ' 15' ' ' GLU . 8.1 t30 -131.06 -8.94 3.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.62 -30.01 75.68 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.514 1.134 . . . . 0.0 111.041 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.448 ' O ' ' N ' ' A' ' 17' ' ' MET . 0.0 OUTLIER -58.77 -24.3 61.52 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.404 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -43.8 -27.21 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.163 . . . . 0.0 110.276 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.83 -42.13 54.03 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -67.22 -8.8 34.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 0.781 . . . . 0.0 110.998 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.4 mt -78.05 -51.38 17.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.314 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -57.31 -51.62 68.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 179.975 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 5' ' ' ALA . 9.3 tp -74.89 -50.76 15.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 0.789 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -49.14 -25.46 2.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 110.959 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.55 -26.67 56.35 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.491 1.119 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 2' ' ' LEU . . . -82.37 -40.12 21.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.4 mt -45.64 -39.38 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -47.82 -35.34 10.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.5 -38.71 96.24 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.446 1.091 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.424 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.15 -38.19 19.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 0.775 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -45.34 -26.6 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 9' ' ' ALA . 6.2 mm-40 -55.04 -24.93 27.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.102 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -131.17 -9.11 3.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.65 -29.73 75.21 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.443 ' O ' ' N ' ' A' ' 17' ' ' MET . 0.0 OUTLIER -62.7 -30.25 71.26 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -41.37 -53.68 3.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.305 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.81 -30.93 79.28 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.473 1.108 . . . . 0.0 111.03 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -73.05 -8.83 57.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 0.785 . . . . 0.0 111.002 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.427 HG12 ' CD1' ' A' ' 14' ' ' TRP . 5.5 mt -70.14 -61.71 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.255 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.8 t70 40.55 76.63 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.526 1.141 . . . . 0.0 110.985 -179.987 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.87 -50.32 15.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 0.773 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -49.4 -24.9 2.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.13 -26.52 55.17 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.444 1.09 . . . . 0.0 110.964 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.18 -39.0 23.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 0.777 . . . . 0.0 109.319 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.47 -39.28 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.01 -36.09 37.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.334 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.51 -38.09 78.73 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.516 1.135 . . . . 0.0 111.028 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.404 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.21 -36.46 20.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 0.758 . . . . 0.0 109.257 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.96 -26.76 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -54.22 -24.81 19.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -131.14 -8.94 3.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.61 -29.42 74.74 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.474 1.109 . . . . 0.0 110.967 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.463 ' NE1' ' CD1' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -61.05 -36.46 79.63 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.46 -29.25 3.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.38 -29.48 70.04 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.501 1.126 . . . . 0.0 110.968 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.96 -8.86 50.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 0.744 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.463 ' CD1' ' NE1' ' A' ' 14' ' ' TRP . 14.3 mt -62.69 -51.16 75.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -69.15 106.66 2.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.344 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.466 1.104 . . . . 0.0 110.984 -179.994 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.88 -48.66 52.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 0.785 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -49.47 -25.19 2.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.89 -25.98 56.9 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.02 -39.33 21.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 0.776 . . . . 0.0 109.305 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.3 mt -46.17 -39.48 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.19 -35.0 15.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.46 -38.36 93.41 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.122 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.424 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.2 -36.37 21.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.773 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.99 -26.78 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 9' ' ' ALA . 0.2 OUTLIER -54.25 -24.91 20.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.311 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -131.12 -9.02 3.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.67 -29.22 74.39 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.488 ' CD1' HG12 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -62.26 -30.58 71.21 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -39.87 -48.39 2.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.313 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.56 -37.05 84.7 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.438 1.086 . . . . 0.0 110.955 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 14' ' ' TRP . 36.1 mtp -67.65 -8.83 37.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.778 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.488 HG12 ' CD1' ' A' ' 14' ' ' TRP . 5.2 mt -68.51 -62.63 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.7 t0 40.74 85.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.55 1.157 . . . . 0.0 111.011 -179.975 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.62 -47.93 61.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 0.733 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -50.27 -24.64 3.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.34 -26.12 55.53 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.468 1.105 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -82.0 -38.94 24.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.59 -39.28 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.45 -36.82 55.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -55.05 -37.88 64.46 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.464 1.103 . . . . 0.0 110.983 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.12 -36.6 21.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 109.373 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.1 mt -44.91 -26.72 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -54.29 -24.73 20.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -131.06 -8.97 3.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.61 -30.0 75.66 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.485 ' CD1' ' CG1' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -60.28 -34.68 74.09 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.12 -28.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.421 ' N ' ' C ' ' A' ' 14' ' ' TRP . . . -77.81 -47.79 8.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.542 1.151 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.408 ' N ' ' O ' ' A' ' 14' ' ' TRP . 35.1 mtt -65.84 -9.01 25.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.756 . . . . 0.0 111.038 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.485 ' CG1' ' CD1' ' A' ' 14' ' ' TRP . 7.8 mt -61.18 -62.35 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -60.96 -53.99 50.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.539 1.149 . . . . 0.0 111.001 -179.962 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 5' ' ' ALA . 0.4 OUTLIER -70.19 -48.5 56.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 0.765 . . . . 0.0 109.315 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -49.28 -25.07 2.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.96 -26.44 55.75 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.566 1.166 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 2' ' ' LEU . . . -82.53 -39.54 22.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.756 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.3 mt -46.01 -39.41 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.21 -35.53 17.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -58.97 -38.23 92.48 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.416 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.24 -35.57 21.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 0.748 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -45.25 -26.62 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.346 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 9' ' ' ALA . 1.5 mm-40 -55.06 -24.96 27.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.269 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 23.3 p30 -131.19 -9.05 3.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.66 -29.27 74.48 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.475 1.109 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.434 ' O ' ' N ' ' A' ' 17' ' ' MET . 0.0 OUTLIER -63.15 -35.9 81.82 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -43.81 -26.52 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.411 ' N ' ' C ' ' A' ' 14' ' ' TRP . . . -74.25 -43.35 32.33 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.458 1.099 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 14' ' ' TRP . 3.8 mtp -68.91 -8.81 47.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 0.787 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.413 HD13 ' NE1' ' A' ' 14' ' ' TRP . 6.4 mt -69.88 -61.01 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.349 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.59 -57.51 9.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 179.999 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 5' ' ' ALA . 1.0 OUTLIER -74.77 -50.9 15.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.769 . . . . 0.0 109.333 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -49.25 -24.87 1.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 0.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.0 -27.03 54.37 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.541 1.151 . . . . 0.0 110.963 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 2' ' ' LEU . . . -81.84 -39.57 23.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 0.792 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.3 mt -46.11 -39.37 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.21 -35.11 16.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.71 -38.44 93.84 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.426 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.18 -37.7 19.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 0.793 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.61 -26.84 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.426 ' N ' ' C ' ' A' ' 9' ' ' ALA . 7.7 pt-20 -54.16 -29.92 47.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -130.9 -9.19 3.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -66.75 -30.1 75.73 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.429 ' O ' ' N ' ' A' ' 17' ' ' MET . 0.0 OUTLIER -58.73 -34.69 71.63 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -47.82 -25.56 1.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.282 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.44 -33.11 59.02 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.478 1.111 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.429 ' N ' ' O ' ' A' ' 14' ' ' TRP . 9.3 mtt -83.58 -8.84 59.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 110.992 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.406 HD12 ' NE1' ' A' ' 14' ' ' TRP . 5.6 mt -64.24 -31.1 52.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.01 103.03 12.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.235 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.491 1.12 . . . . 0.0 110.988 179.964 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 5' ' ' ALA . 0.7 OUTLIER -75.77 -48.66 20.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 109.315 179.98 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -50.34 -24.62 3.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.25 -26.71 54.44 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.558 1.161 . . . . 0.0 110.969 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -81.26 -39.05 25.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 0.765 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.38 -39.33 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.16 -37.65 62.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -53.37 -37.69 55.94 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.539 1.15 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.429 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.23 -36.84 20.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.7 -26.95 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.579 1.174 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.429 ' N ' ' C ' ' A' ' 9' ' ' ALA . 32.5 mt-10 -53.87 -24.84 17.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.348 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -131.02 -9.05 3.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.51 -30.12 75.94 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.538 1.148 . . . . 0.0 111.001 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.45 ' O ' ' N ' ' A' ' 17' ' ' MET . 0.0 OUTLIER -59.18 -20.02 50.25 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -44.81 -26.01 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 110.341 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.407 ' N ' ' C ' ' A' ' 14' ' ' TRP . . . -70.64 -40.03 66.69 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.125 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -70.07 -8.8 52.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 0.784 . . . . 0.0 110.956 -179.981 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.419 HD13 ' NE1' ' A' ' 14' ' ' TRP . 6.9 mt -80.76 -56.55 6.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 40.51 56.55 2.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.549 1.156 . . . . 0.0 110.994 -179.992 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.42 -48.58 16.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 0.797 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -50.17 -24.74 2.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.23 -26.6 54.72 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -81.36 -38.82 26.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 0.775 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.1 mt -46.65 -39.25 4.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.36 -37.2 62.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -53.45 -37.83 56.61 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.437 1.085 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.43 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.17 -36.72 20.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 0.779 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.59 -26.83 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.43 ' N ' ' C ' ' A' ' 9' ' ' ALA . 9.7 pt-20 -54.2 -29.84 47.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.095 . . . . 0.0 110.27 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 17.9 p30 -130.94 -9.26 3.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -66.67 -30.11 75.81 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.498 ' O ' ' CG ' ' A' ' 17' ' ' MET . 0.0 OUTLIER -58.8 -35.78 73.4 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.953 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -43.07 -26.7 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.409 ' N ' ' C ' ' A' ' 14' ' ' TRP . . . -70.72 -43.71 58.88 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.542 1.151 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.498 ' CG ' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -66.53 -8.83 29.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 0.0 111.001 179.984 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mt -76.01 -56.64 7.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.413 1.071 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.83 135.68 2.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.972 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 5' ' ' ALA . 0.4 OUTLIER -73.86 -50.94 17.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 0.0 109.293 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -49.5 -24.65 2.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.45 -26.45 54.5 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -82.12 -38.79 24.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 0.759 . . . . 0.0 109.349 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.35 -39.39 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.309 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.57 -37.35 57.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -53.98 -37.81 59.06 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 0.0 111.036 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.418 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.21 -36.27 21.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 0.757 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -45.33 -26.68 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.418 ' N ' ' C ' ' A' ' 9' ' ' ALA . 5.8 mt-10 -55.05 -24.94 27.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -131.2 -9.1 3.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.78 -29.91 75.41 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.446 ' O ' ' N ' ' A' ' 17' ' ' MET . 0.0 OUTLIER -63.88 -38.44 91.09 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.84 -27.39 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.241 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.14 -44.05 37.16 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.56 1.162 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' ' 14' ' ' TRP . 4.7 mtt -67.27 -8.8 34.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 0.756 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.416 HD11 ' NE1' ' A' ' 14' ' ' TRP . 6.4 mt -71.47 -61.12 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.079 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -47.54 126.6 10.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.547 1.155 . . . . 0.0 110.983 -179.975 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.96 -48.75 15.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.763 . . . . 0.0 109.256 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -50.47 -24.58 3.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.997 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.27 -26.51 54.83 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 179.927 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -81.22 -38.76 26.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 0.79 . . . . 0.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.1 mt -46.84 -39.16 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.71 -36.68 62.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -53.64 -37.82 57.43 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.43 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.27 -36.37 20.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.777 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.84 -26.73 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.43 ' N ' ' C ' ' A' ' 9' ' ' ALA . 9.7 pt-20 -54.39 -29.61 49.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 110.268 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -130.91 -9.08 3.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -66.75 -30.05 75.65 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.549 1.155 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.428 ' CD1' HG13 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -58.43 -43.01 88.54 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.955 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -49.82 -22.69 1.54 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 110.333 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.73 -28.54 73.51 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.509 1.13 . . . . 0.0 111.045 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 8.9 mmt -96.87 -8.85 29.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 0.764 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.428 HG13 ' CD1' ' A' ' 14' ' ' TRP . 8.9 mt -58.6 -49.5 82.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -52.04 -60.5 3.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.493 1.12 . . . . 0.0 110.996 -179.976 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 5' ' ' ALA . 1.0 OUTLIER -77.15 -49.54 14.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 0.742 . . . . 0.0 109.32 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -49.31 -25.21 2.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.78 -26.22 56.65 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.121 . . . . 0.0 110.948 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 2' ' ' LEU . . . -83.12 -40.19 20.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 0.786 . . . . 0.0 109.247 -179.944 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -45.45 -39.49 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -47.63 -35.0 8.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.45 -39.2 97.49 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.435 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.16 -40.29 16.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.44 -26.83 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.435 ' N ' ' C ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -53.78 -30.29 44.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.422 ' N ' ' HG3' ' A' ' 11' ' ' GLU . 12.6 p30 -131.13 -9.42 3.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -66.96 -30.06 75.5 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.467 1.105 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.491 ' CD1' HG13 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -64.43 -45.29 88.17 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.959 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.445 ' HA ' ' CD1' ' A' ' 18' ' ' ILE . 58.5 tt0 -46.34 -24.53 0.5 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.55 -50.95 6.25 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -71.46 -8.76 55.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 0.783 . . . . 0.0 110.981 -179.952 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.491 HG13 ' CD1' ' A' ' 14' ' ' TRP . 4.3 mt -52.04 -39.19 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -78.41 177.34 8.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.485 1.115 . . . . 0.0 110.996 179.958 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.401 ' O ' ' N ' ' A' ' 5' ' ' ALA . 0.6 OUTLIER -74.15 -47.99 32.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.772 . . . . 0.0 109.277 -179.984 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -49.95 -24.91 2.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.992 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.16 -25.7 56.89 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.512 1.132 . . . . 0.0 111.005 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 2' ' ' LEU . . . -82.81 -39.15 22.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.52 -39.25 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.157 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.3 -34.82 24.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.22 -38.68 62.2 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 0.0 110.955 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 13' ' ' GLY . . . -85.3 -36.12 21.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 0.748 . . . . 0.0 109.342 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.0 mt -46.16 -32.35 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.19 -24.58 7.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 -130.92 -8.96 3.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.425 1.078 . . . . 0.0 109.35 179.945 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -66.63 -30.12 75.86 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.435 ' NE1' ' CD1' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -61.04 -29.94 70.02 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.989 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -45.3 -25.66 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 110.303 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.81 -47.59 9.56 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.468 1.105 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -66.99 -8.83 32.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 0.766 . . . . 0.0 110.968 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.435 ' CD1' ' NE1' ' A' ' 14' ' ' TRP . 6.2 mt -64.03 -63.73 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -59.08 124.95 21.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 179.997 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.6 -49.63 20.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 0.778 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -49.66 -24.81 2.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.21 -26.49 55.02 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.523 1.139 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -82.12 -39.6 23.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 0.724 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.5 mt -45.56 -39.66 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.344 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.59 -39.09 57.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 179.958 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -53.51 -37.8 56.83 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 0.0 111.039 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.44 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.16 -37.62 19.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 0.758 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -43.53 -27.17 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.44 ' N ' ' C ' ' A' ' 9' ' ' ALA . 7.7 pt-20 -52.89 -31.51 40.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -131.11 -10.53 3.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.937 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -67.49 -30.03 74.66 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.481 1.113 . . . . 0.0 110.967 -179.93 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.431 ' CE2' HD13 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -77.02 -65.8 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.411 ' N ' ' CG ' ' A' ' 14' ' ' TRP . 0.6 OUTLIER -48.7 -25.38 1.77 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 179.991 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.98 -23.18 71.02 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.454 1.096 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.03 -8.82 22.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 0.792 . . . . 0.0 110.979 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.431 HD13 ' CE2' ' A' ' 14' ' ' TRP . 4.2 mt -61.12 -48.57 88.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -59.37 107.26 0.54 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.534 1.146 . . . . 0.0 110.958 -179.98 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 5' ' ' ALA . 0.6 OUTLIER -74.96 -49.94 18.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 0.778 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -49.24 -25.41 2.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.58 -26.78 56.06 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.538 1.149 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 2' ' ' LEU . . . -81.92 -39.42 23.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 0.771 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.16 -39.35 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.75 -35.66 23.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -58.7 -38.47 91.84 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.504 1.127 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 13' ' ' GLY . . . -85.09 -38.79 18.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.785 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -43.41 -27.16 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' ' 9' ' ' ALA . 7.1 pt-20 -52.77 -31.72 39.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.32 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -131.2 -10.39 3.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -67.37 -30.12 74.94 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.475 1.109 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.441 ' NE1' ' CD1' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -75.36 -35.75 61.08 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.993 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.42 ' HA ' ' CG1' ' A' ' 18' ' ' ILE . 18.7 tt0 -52.49 -37.55 57.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.268 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.09 -39.02 97.5 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.481 1.113 . . . . 0.0 111.036 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.31 -8.53 40.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.441 ' CD1' ' NE1' ' A' ' 14' ' ' TRP . 23.1 mm -69.24 -62.2 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.574 1.171 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -67.66 112.28 4.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.35 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.546 1.153 . . . . 0.0 111.024 179.995 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.52 -50.43 15.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 0.776 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -49.39 -24.92 2.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.1 -26.65 54.95 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.467 1.104 . . . . 0.0 111.052 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.9 -39.04 24.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 0.779 . . . . 0.0 109.241 -179.959 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.61 -39.19 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.961 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.81 -34.91 29.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -53.64 -38.67 59.22 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.51 1.131 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 13' ' ' GLY . . . -85.29 -37.29 20.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.3 mt -44.57 -31.77 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -50.75 -27.72 7.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -130.83 -9.08 3.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -66.7 -30.04 75.67 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.432 ' O ' ' N ' ' A' ' 17' ' ' MET . 0.0 OUTLIER -59.19 -25.43 63.96 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.978 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -46.91 -39.53 12.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.324 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.74 -28.8 73.47 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.513 1.133 . . . . 0.0 111.037 179.94 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.432 ' N ' ' O ' ' A' ' 14' ' ' TRP . 1.9 mmt -80.03 -8.86 59.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.763 . . . . 0.0 111.032 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.9 mt -73.47 -59.74 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -53.46 -61.75 2.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 179.99 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.93 -49.68 15.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 0.771 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -49.53 -24.91 2.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.15 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.13 -26.22 55.81 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.5 -39.28 22.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 0.783 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.39 -39.27 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.958 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.01 -35.42 24.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -53.91 -38.55 60.31 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.528 1.142 . . . . 0.0 110.976 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 13' ' ' GLY . . . -85.33 -36.91 20.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 0.757 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.3 mt -44.59 -31.72 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.957 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -50.75 -27.81 7.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.297 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -130.77 -9.1 3.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -66.64 -30.09 75.79 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.535 1.147 . . . . 0.0 111.037 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.418 ' O ' ' N ' ' A' ' 17' ' ' MET . 0.0 OUTLIER -60.01 -25.08 65.01 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.977 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -47.47 -41.26 20.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.88 -24.59 76.91 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.418 ' N ' ' O ' ' A' ' 14' ' ' TRP . 0.4 OUTLIER -82.59 -8.81 59.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 0.734 . . . . 0.0 111.012 180.0 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.6 mt -71.87 -56.2 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.39 176.34 8.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.349 179.955 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 179.962 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.58 -50.87 16.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 0.779 . . . . 0.0 109.245 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -49.4 -24.74 2.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.3 -26.83 54.03 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.504 1.128 . . . . 0.0 110.983 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -81.61 -38.67 25.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 0.763 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.1 mt -46.69 -39.32 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.19 -36.33 51.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -55.02 -38.07 64.69 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.508 1.13 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.15 -36.46 21.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 0.722 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.91 -26.81 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.21 -24.7 19.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.298 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -131.2 -8.93 3.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.65 -29.98 75.61 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.51 -48.9 14.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.766 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -49.88 -25.02 2.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.88 -27.11 54.44 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -80.78 -39.12 27.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.759 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.1 mt -46.69 -39.16 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.02 -35.92 48.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -55.44 -38.18 68.98 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.427 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.17 -35.15 21.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 0.788 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.66 -26.88 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' A' ' 9' ' ' ALA . 3.9 mm-40 -53.86 -24.75 16.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.254 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -131.06 -8.94 3.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.57 -30.1 75.87 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.455 1.097 . . . . 0.0 110.981 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.62 -50.38 15.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.775 . . . . 0.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -49.46 -24.73 2.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 111.059 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.28 -26.62 54.55 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.499 1.124 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.98 -38.91 24.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 0.765 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.1 mt -46.59 -39.27 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.22 -35.57 37.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.07 -38.07 83.46 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.467 1.104 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.424 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.22 -36.59 20.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.767 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.86 -26.79 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 9' ' ' ALA . 0.3 OUTLIER -54.07 -24.88 19.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.32 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -131.08 -9.04 3.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.58 -30.06 75.79 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.444 1.09 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 5' ' ' ALA . 0.6 OUTLIER -77.8 -48.6 16.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 0.763 . . . . 0.0 109.311 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -50.39 -24.64 3.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.24 -26.87 54.1 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -80.82 -38.92 27.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.762 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.61 -39.29 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.67 -37.31 63.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -53.23 -37.89 55.7 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.475 1.109 . . . . 0.0 111.0 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.427 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.1 -36.73 20.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.59 -26.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' A' ' 9' ' ' ALA . 5.4 mt-10 -53.76 -24.73 16.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.3 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -131.04 -8.96 3.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.57 -30.16 75.97 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.53 -50.42 15.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 0.762 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -49.73 -24.68 2.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.29 -26.89 53.93 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.463 1.102 . . . . 0.0 111.025 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -81.37 -38.88 25.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 0.773 . . . . 0.0 109.245 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.4 -39.35 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.01 -37.36 61.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -53.9 -37.78 58.59 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.4 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.12 -37.42 20.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.757 . . . . 0.0 109.277 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.56 -26.93 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.353 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.4 ' N ' ' C ' ' A' ' 9' ' ' ALA . 21.0 mt-10 -53.72 -24.76 15.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.282 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -131.0 -8.94 3.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.59 -30.02 75.72 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 5' ' ' ALA . 0.4 OUTLIER -74.99 -50.74 15.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 0.0 109.266 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -49.47 -24.63 2.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.4 -26.8 53.84 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -81.65 -38.82 25.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 0.784 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.1 mt -46.38 -39.44 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.61 -37.24 57.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -54.28 -37.78 60.37 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.512 1.133 . . . . 0.0 110.984 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.427 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.19 -36.5 20.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 0.737 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.1 mt -44.82 -26.83 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' A' ' 9' ' ' ALA . 31.3 mt-10 -53.96 -24.73 17.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -130.98 -8.91 3.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.61 -29.28 74.5 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.48 1.112 . . . . 0.0 111.033 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.11 -50.7 15.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 0.785 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -49.36 -24.41 1.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.55 -27.0 52.96 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.47 1.106 . . . . 0.0 111.039 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -81.59 -38.84 25.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 0.779 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.1 mt -46.34 -39.53 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.24 -37.01 54.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.267 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -54.41 -37.88 61.23 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.404 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.2 -36.48 20.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.76 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.3 mt -44.86 -26.85 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 9' ' ' ALA . 2.3 mm-40 -54.27 -24.76 20.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -131.14 -8.96 3.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.14 . . . . 0.0 109.31 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.66 -29.06 74.15 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.544 1.153 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.23 -47.7 22.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 0.73 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -50.37 -24.63 3.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.44 -25.98 55.64 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -81.95 -38.76 24.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 0.77 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.71 -39.28 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.54 -37.03 62.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.347 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -53.38 -37.85 56.29 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.17 -36.46 21.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 0.783 . . . . 0.0 109.329 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.73 -26.86 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.96 -24.88 18.1 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.55 1.156 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -131.08 -9.04 3.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.5 -30.08 75.88 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.474 1.109 . . . . 0.0 111.03 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER -77.11 -47.71 19.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -50.43 -24.65 3.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.997 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.33 -26.11 55.58 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -81.84 -38.9 24.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.59 -39.23 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.355 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.13 -37.06 61.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.272 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -53.76 -37.91 58.2 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.426 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.17 -35.56 21.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.77 -26.81 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.426 ' N ' ' C ' ' A' ' 9' ' ' ALA . 0.8 OUTLIER -54.06 -24.72 18.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.276 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -131.09 -8.99 3.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.61 -30.07 75.79 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.495 1.122 . . . . 0.0 111.037 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.53 -50.33 15.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 0.797 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -49.51 -24.83 2.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 111.034 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.24 -26.53 54.85 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.99 -39.15 24.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.47 -39.32 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.252 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.92 -35.59 34.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.97 -38.34 84.52 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.137 . . . . 0.0 110.971 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.421 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.2 -35.33 21.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 0.751 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.1 mt -45.35 -26.51 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.421 ' N ' ' C ' ' A' ' 9' ' ' ALA . 1.2 tm-20 -54.99 -24.73 25.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -131.06 -9.09 3.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.64 -29.39 74.68 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 5' ' ' ALA . 0.4 OUTLIER -75.82 -50.35 15.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 0.758 . . . . 0.0 109.313 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -49.26 -25.26 2.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.74 -26.45 56.3 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.53 1.144 . . . . 0.0 110.961 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 2' ' ' LEU . . . -82.59 -40.05 21.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.77 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.597 HG22 HG13 ' A' ' 10' ' ' ILE . 12.4 mt -45.68 -39.44 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -48.07 -34.76 10.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.52 -38.78 96.36 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.16 -37.95 19.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 109.267 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.597 HG13 HG22 ' A' ' 6' ' ' ILE . 3.2 mt -45.32 -26.64 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -54.89 -24.79 25.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -131.17 -9.01 3.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 109.318 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.63 -29.41 74.72 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.459 1.099 . . . . 0.0 110.974 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.79 -50.08 16.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 0.74 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -49.79 -24.64 2.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.41 -26.6 54.26 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -81.57 -38.76 25.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 0.776 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.54 -39.29 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.27 -37.26 61.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -53.49 -37.73 56.58 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.417 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.2 -35.48 21.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 109.298 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -45.36 -26.55 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.417 ' N ' ' C ' ' A' ' 9' ' ' ALA . 41.1 mm-40 -55.09 -24.89 27.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -131.11 -9.14 3.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.57 -30.0 75.7 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.478 1.111 . . . . 0.0 110.983 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.11 -46.45 34.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -50.8 -24.76 3.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 111.002 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.28 -26.03 55.89 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.439 1.087 . . . . 0.0 110.956 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -81.56 -38.73 25.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 0.0 109.341 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.1 mt -47.01 -39.06 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.51 -36.18 61.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -54.14 -37.97 60.17 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.401 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.22 -36.37 21.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 0.775 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -45.04 -26.69 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 9' ' ' ALA . 26.3 mt-10 -54.56 -24.79 22.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.6 p30 -131.1 -8.98 3.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.68 -29.84 75.37 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.91 -48.35 58.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 0.766 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -50.14 -24.64 2.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.45 -25.93 55.72 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.425 1.078 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -82.39 -39.11 23.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.3 mt -46.23 -39.45 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.35 -37.64 56.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -54.19 -37.8 59.99 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.487 1.117 . . . . 0.0 111.033 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.405 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.12 -36.74 20.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 0.776 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.86 -26.77 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 9' ' ' ALA . 4.6 mm-40 -54.07 -24.69 18.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -131.06 -8.94 3.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.62 -30.01 75.68 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.514 1.134 . . . . 0.0 111.041 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.482 HD12 ' HA ' ' A' ' 2' ' ' LEU . 9.3 tp -74.89 -50.76 15.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 0.789 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -49.14 -25.46 2.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 110.959 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.55 -26.67 56.35 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.491 1.119 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 2' ' ' LEU . . . -82.37 -40.12 21.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.638 HG22 HG13 ' A' ' 10' ' ' ILE . 12.4 mt -45.64 -39.38 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -47.82 -35.34 10.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.5 -38.71 96.24 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.446 1.091 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.424 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.15 -38.19 19.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 0.775 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.638 HG13 HG22 ' A' ' 6' ' ' ILE . 3.2 mt -45.34 -26.6 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 9' ' ' ALA . 6.2 mm-40 -55.04 -24.93 27.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.102 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -131.17 -9.11 3.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.65 -29.73 75.21 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.87 -50.32 15.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 0.773 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -49.4 -24.9 2.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.13 -26.52 55.17 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.444 1.09 . . . . 0.0 110.964 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.18 -39.0 23.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 0.777 . . . . 0.0 109.319 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.47 -39.28 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.01 -36.09 37.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.334 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.51 -38.09 78.73 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.516 1.135 . . . . 0.0 111.028 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.404 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.21 -36.46 20.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 0.758 . . . . 0.0 109.257 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.96 -26.76 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -54.22 -24.81 19.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -131.14 -8.94 3.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.61 -29.42 74.74 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.474 1.109 . . . . 0.0 110.967 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.88 -48.66 52.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 0.785 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -49.47 -25.19 2.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.89 -25.98 56.9 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.02 -39.33 21.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 0.776 . . . . 0.0 109.305 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.3 mt -46.17 -39.48 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.19 -35.0 15.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.46 -38.36 93.41 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.122 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.424 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.2 -36.37 21.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.773 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.99 -26.78 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 9' ' ' ALA . 0.2 OUTLIER -54.25 -24.91 20.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.311 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -131.12 -9.02 3.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.67 -29.22 74.39 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.62 -47.93 61.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 0.733 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -50.27 -24.64 3.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.34 -26.12 55.53 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.468 1.105 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -82.0 -38.94 24.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.59 -39.28 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.45 -36.82 55.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -55.05 -37.88 64.46 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.464 1.103 . . . . 0.0 110.983 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.12 -36.6 21.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 109.373 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.1 mt -44.91 -26.72 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -54.29 -24.73 20.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -131.06 -8.97 3.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.61 -30.0 75.66 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 5' ' ' ALA . 0.4 OUTLIER -70.19 -48.5 56.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 0.765 . . . . 0.0 109.315 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -49.28 -25.07 2.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.96 -26.44 55.75 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.566 1.166 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 2' ' ' LEU . . . -82.53 -39.54 22.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.756 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.3 mt -46.01 -39.41 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.21 -35.53 17.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -58.97 -38.23 92.48 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.416 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.24 -35.57 21.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 0.748 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -45.25 -26.62 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.346 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 9' ' ' ALA . 1.5 mm-40 -55.06 -24.96 27.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.269 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 23.3 p30 -131.19 -9.05 3.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.66 -29.27 74.48 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.475 1.109 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 5' ' ' ALA . 1.0 OUTLIER -74.77 -50.9 15.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.769 . . . . 0.0 109.333 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -49.25 -24.87 1.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 0.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.0 -27.03 54.37 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.541 1.151 . . . . 0.0 110.963 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 2' ' ' LEU . . . -81.84 -39.57 23.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 0.792 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.458 HG22 HG13 ' A' ' 10' ' ' ILE . 12.3 mt -46.11 -39.37 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.21 -35.11 16.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.71 -38.44 93.84 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.426 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.18 -37.7 19.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 0.793 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.458 HG13 HG22 ' A' ' 6' ' ' ILE . 3.2 mt -44.61 -26.84 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.426 ' N ' ' C ' ' A' ' 9' ' ' ALA . 7.7 pt-20 -54.16 -29.92 47.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -130.9 -9.19 3.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -66.75 -30.1 75.73 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 5' ' ' ALA . 0.7 OUTLIER -75.77 -48.66 20.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 109.315 179.98 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -50.34 -24.62 3.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.25 -26.71 54.44 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.558 1.161 . . . . 0.0 110.969 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -81.26 -39.05 25.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 0.765 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.38 -39.33 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.16 -37.65 62.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -53.37 -37.69 55.94 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.539 1.15 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.429 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.23 -36.84 20.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.7 -26.95 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.579 1.174 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.429 ' N ' ' C ' ' A' ' 9' ' ' ALA . 32.5 mt-10 -53.87 -24.84 17.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.348 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -131.02 -9.05 3.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.51 -30.12 75.94 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.538 1.148 . . . . 0.0 111.001 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.42 -48.58 16.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 0.797 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -50.17 -24.74 2.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.23 -26.6 54.72 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -81.36 -38.82 26.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 0.775 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.1 mt -46.65 -39.25 4.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.36 -37.2 62.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -53.45 -37.83 56.61 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.437 1.085 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.43 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.17 -36.72 20.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 0.779 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.59 -26.83 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.43 ' N ' ' C ' ' A' ' 9' ' ' ALA . 9.7 pt-20 -54.2 -29.84 47.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.095 . . . . 0.0 110.27 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 17.9 p30 -130.94 -9.26 3.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -66.67 -30.11 75.81 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.953 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 5' ' ' ALA . 0.4 OUTLIER -73.86 -50.94 17.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 0.0 109.293 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -49.5 -24.65 2.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.45 -26.45 54.5 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -82.12 -38.79 24.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 0.759 . . . . 0.0 109.349 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.35 -39.39 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.309 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.57 -37.35 57.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -53.98 -37.81 59.06 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 0.0 111.036 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.418 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.21 -36.27 21.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 0.757 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -45.33 -26.68 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.418 ' N ' ' C ' ' A' ' 9' ' ' ALA . 5.8 mt-10 -55.05 -24.94 27.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -131.2 -9.1 3.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.78 -29.91 75.41 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.96 -48.75 15.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.763 . . . . 0.0 109.256 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -50.47 -24.58 3.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.997 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.27 -26.51 54.83 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 179.927 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -81.22 -38.76 26.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 0.79 . . . . 0.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.1 mt -46.84 -39.16 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.71 -36.68 62.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -53.64 -37.82 57.43 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.43 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.27 -36.37 20.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.777 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.84 -26.73 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.43 ' N ' ' C ' ' A' ' 9' ' ' ALA . 9.7 pt-20 -54.39 -29.61 49.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 110.268 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -130.91 -9.08 3.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -66.75 -30.05 75.65 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.549 1.155 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 5' ' ' ALA . 1.0 OUTLIER -77.15 -49.54 14.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 0.742 . . . . 0.0 109.32 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -49.31 -25.21 2.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.78 -26.22 56.65 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.121 . . . . 0.0 110.948 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 2' ' ' LEU . . . -83.12 -40.19 20.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 0.786 . . . . 0.0 109.247 -179.944 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.799 HG22 HG13 ' A' ' 10' ' ' ILE . 12.2 mt -45.45 -39.49 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -47.63 -35.0 8.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.45 -39.2 97.49 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.435 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.16 -40.29 16.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.799 HG13 HG22 ' A' ' 6' ' ' ILE . 3.2 mt -44.44 -26.83 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.435 ' N ' ' C ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -53.78 -30.29 44.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.42 ' N ' ' HG3' ' A' ' 11' ' ' GLU . 12.6 p30 -131.13 -9.42 3.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -66.96 -30.06 75.5 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.467 1.105 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.401 ' O ' ' N ' ' A' ' 5' ' ' ALA . 0.6 OUTLIER -74.15 -47.99 32.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.772 . . . . 0.0 109.277 -179.984 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -49.95 -24.91 2.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.992 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.16 -25.7 56.89 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.512 1.132 . . . . 0.0 111.005 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 2' ' ' LEU . . . -82.81 -39.15 22.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.52 -39.25 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.157 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.3 -34.82 24.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.22 -38.68 62.2 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 0.0 110.955 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 13' ' ' GLY . . . -85.3 -36.12 21.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 0.748 . . . . 0.0 109.342 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.0 mt -46.16 -32.35 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.19 -24.58 7.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 -130.92 -8.96 3.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.425 1.078 . . . . 0.0 109.35 179.945 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -66.63 -30.12 75.86 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.6 -49.63 20.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 0.778 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -49.66 -24.81 2.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.21 -26.49 55.02 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.523 1.139 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -82.12 -39.6 23.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 0.724 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.5 mt -45.56 -39.66 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.344 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.59 -39.09 57.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 179.958 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -53.51 -37.8 56.83 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 0.0 111.039 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.44 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.16 -37.62 19.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 0.758 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -43.53 -27.17 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.44 ' N ' ' C ' ' A' ' 9' ' ' ALA . 7.7 pt-20 -52.89 -31.51 40.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -131.11 -10.53 3.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.937 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -67.49 -30.03 74.66 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.481 1.113 . . . . 0.0 110.967 -179.93 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 5' ' ' ALA . 0.6 OUTLIER -74.96 -49.94 18.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 0.778 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -49.24 -25.41 2.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.58 -26.78 56.06 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.538 1.149 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 2' ' ' LEU . . . -81.92 -39.42 23.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 0.771 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.443 HG22 HG13 ' A' ' 10' ' ' ILE . 12.2 mt -46.16 -39.35 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.75 -35.66 23.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -58.7 -38.47 91.84 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.504 1.127 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 13' ' ' GLY . . . -85.09 -38.79 18.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.785 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.443 HG13 HG22 ' A' ' 6' ' ' ILE . 3.2 mt -43.41 -27.16 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' ' 9' ' ' ALA . 7.1 pt-20 -52.77 -31.72 39.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.32 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -131.2 -10.39 3.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -67.37 -30.12 74.94 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.475 1.109 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.52 -50.43 15.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 0.776 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -49.39 -24.92 2.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.1 -26.65 54.95 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.467 1.104 . . . . 0.0 111.052 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.9 -39.04 24.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 0.779 . . . . 0.0 109.241 -179.959 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.61 -39.19 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.961 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.81 -34.91 29.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -53.64 -38.67 59.22 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.51 1.131 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 13' ' ' GLY . . . -85.29 -37.29 20.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.3 mt -44.57 -31.77 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -50.75 -27.72 7.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -130.83 -9.08 3.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -66.7 -30.04 75.67 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.93 -49.68 15.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 0.771 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -49.53 -24.91 2.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.15 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.13 -26.22 55.81 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.5 -39.28 22.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 0.783 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.39 -39.27 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.958 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.01 -35.42 24.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -53.91 -38.55 60.31 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.528 1.142 . . . . 0.0 110.976 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 13' ' ' GLY . . . -85.33 -36.91 20.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 0.757 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.3 mt -44.59 -31.72 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.957 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -50.75 -27.81 7.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.297 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -130.77 -9.1 3.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -66.64 -30.09 75.79 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.535 1.147 . . . . 0.0 111.037 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.58 -50.87 16.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 0.779 . . . . 0.0 109.245 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -49.4 -24.74 2.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.3 -26.83 54.03 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.504 1.128 . . . . 0.0 110.983 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -81.61 -38.67 25.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 0.763 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.1 mt -46.69 -39.32 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.19 -36.33 51.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -55.02 -38.07 64.69 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.508 1.13 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.15 -36.46 21.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 0.722 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.91 -26.81 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.21 -24.7 19.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.298 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -131.2 -8.93 3.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.65 -29.98 75.61 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.552 ' NE1' HD11 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -59.84 -32.25 70.5 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -47.97 -23.85 0.9 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.1 -35.81 57.14 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.48 1.112 . . . . 0.0 111.023 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 55.8 mtt -83.13 -8.81 59.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.756 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.552 HD11 ' NE1' ' A' ' 14' ' ' TRP . 5.8 mt -62.88 -59.68 3.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -60.06 127.06 29.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.132 . . . . 0.0 110.993 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.51 -48.9 14.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.766 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -49.88 -25.02 2.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.88 -27.11 54.44 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -80.78 -39.12 27.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.759 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.1 mt -46.69 -39.16 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.02 -35.92 48.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -55.44 -38.18 68.98 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.427 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.17 -35.15 21.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 0.788 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.66 -26.88 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' A' ' 9' ' ' ALA . 3.9 mm-40 -53.86 -24.75 16.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.254 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -131.06 -8.94 3.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.57 -30.1 75.87 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.455 1.097 . . . . 0.0 110.981 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.66 ' NE1' HD11 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -58.33 -27.85 64.52 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -43.23 -27.65 0.25 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.39 -44.99 25.83 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.517 1.136 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.413 ' N ' ' O ' ' A' ' 14' ' ' TRP . 5.0 mtt -66.36 -8.85 28.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 110.962 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.66 HD11 ' NE1' ' A' ' 14' ' ' TRP . 5.9 mt -69.69 -53.5 24.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -46.22 105.7 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.941 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.62 -50.38 15.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.775 . . . . 0.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -49.46 -24.73 2.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 111.059 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.28 -26.62 54.55 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.499 1.124 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.98 -38.91 24.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 0.765 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.1 mt -46.59 -39.27 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.22 -35.57 37.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.07 -38.07 83.46 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.467 1.104 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.424 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.22 -36.59 20.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.767 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.86 -26.79 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 9' ' ' ALA . 0.3 OUTLIER -54.07 -24.88 19.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.32 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -131.08 -9.04 3.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.58 -30.06 75.79 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.444 1.09 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.72 ' NE1' HD11 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -59.47 -31.64 69.52 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -46.56 -26.12 0.83 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.29 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.01 -35.18 83.54 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.52 1.138 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -78.58 -8.81 59.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.775 . . . . 0.0 111.004 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.72 HD11 ' NE1' ' A' ' 14' ' ' TRP . 6.4 mt -76.05 -39.03 36.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.44 128.82 37.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.513 1.133 . . . . 0.0 111.035 -179.943 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 5' ' ' ALA . 0.6 OUTLIER -77.8 -48.6 16.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 0.763 . . . . 0.0 109.311 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -50.39 -24.64 3.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.24 -26.87 54.1 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -80.82 -38.92 27.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.762 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.61 -39.29 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.67 -37.31 63.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -53.23 -37.89 55.7 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.475 1.109 . . . . 0.0 111.0 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.427 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.1 -36.73 20.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.59 -26.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' A' ' 9' ' ' ALA . 5.4 mt-10 -53.76 -24.73 16.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.3 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -131.04 -8.96 3.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.57 -30.16 75.97 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.515 ' NE1' HD11 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -58.49 -23.27 57.45 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -43.67 -36.7 2.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.73 -34.58 36.85 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.2 tmm? -78.69 -8.9 59.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 0.789 . . . . 0.0 110.955 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.515 HD11 ' NE1' ' A' ' 14' ' ' TRP . 5.6 mt -89.78 -51.14 12.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 50.98 179.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 110.968 -179.961 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.53 -50.42 15.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 0.762 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -49.73 -24.68 2.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.29 -26.89 53.93 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.463 1.102 . . . . 0.0 111.025 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -81.37 -38.88 25.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 0.773 . . . . 0.0 109.245 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.4 -39.35 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.01 -37.36 61.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -53.9 -37.78 58.59 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.4 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.12 -37.42 20.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.757 . . . . 0.0 109.277 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.56 -26.93 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.353 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.4 ' N ' ' C ' ' A' ' 9' ' ' ALA . 21.0 mt-10 -53.72 -24.76 15.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.282 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -131.0 -8.94 3.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.59 -30.02 75.72 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.516 ' NE1' HD11 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -59.27 -34.1 71.85 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.508 ' OE1' HD12 ' A' ' 18' ' ' ILE . 1.1 tp10 -50.2 -22.35 1.69 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.67 -32.12 67.4 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.462 1.101 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 9.1 mtt -92.27 -8.89 43.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 0.765 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.516 HD11 ' NE1' ' A' ' 14' ' ' TRP . 4.4 mt -57.56 -37.1 56.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.342 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -69.65 -50.49 43.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 5' ' ' ALA . 0.4 OUTLIER -74.99 -50.74 15.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 0.0 109.266 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -49.47 -24.63 2.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.4 -26.8 53.84 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -81.65 -38.82 25.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 0.784 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.1 mt -46.38 -39.44 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.61 -37.24 57.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -54.28 -37.78 60.37 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.512 1.133 . . . . 0.0 110.984 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.427 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.19 -36.5 20.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 0.737 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.1 mt -44.82 -26.83 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' A' ' 9' ' ' ALA . 31.3 mt-10 -53.96 -24.73 17.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -130.98 -8.91 3.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.61 -29.28 74.5 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.48 1.112 . . . . 0.0 111.033 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.593 ' NE1' HD11 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -61.33 -27.33 68.42 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.17 -45.8 5.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.85 -31.47 67.23 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.512 1.133 . . . . 0.0 111.011 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 14' ' ' TRP . 2.1 tmm? -75.85 -8.8 57.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 0.763 . . . . 0.0 110.97 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.593 HD11 ' NE1' ' A' ' 14' ' ' TRP . 6.9 mt -65.92 -63.97 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.13 99.77 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.569 1.168 . . . . 0.0 110.996 -179.978 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.11 -50.7 15.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 0.785 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -49.36 -24.41 1.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.55 -27.0 52.96 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.47 1.106 . . . . 0.0 111.039 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -81.59 -38.84 25.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 0.779 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.1 mt -46.34 -39.53 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.24 -37.01 54.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.267 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -54.41 -37.88 61.23 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.404 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.2 -36.48 20.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.76 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.3 mt -44.86 -26.85 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 9' ' ' ALA . 2.3 mm-40 -54.27 -24.76 20.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -131.14 -8.96 3.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.14 . . . . 0.0 109.31 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.66 -29.06 74.15 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.544 1.153 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.691 ' NE1' HD11 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -62.07 -32.62 73.17 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -41.46 -34.28 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.297 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.7 -42.96 37.56 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -66.15 -8.85 26.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.76 . . . . 0.0 111.007 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.691 HD11 ' NE1' ' A' ' 14' ' ' TRP . 6.0 mt -68.22 -62.42 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.098 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -53.9 117.95 3.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.12 . . . . 0.0 110.984 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.23 -47.7 22.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 0.73 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -50.37 -24.63 3.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.44 -25.98 55.64 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -81.95 -38.76 24.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 0.77 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.71 -39.28 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.54 -37.03 62.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.347 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -53.38 -37.85 56.29 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.17 -36.46 21.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 0.783 . . . . 0.0 109.329 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.73 -26.86 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.96 -24.88 18.1 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.55 1.156 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -131.08 -9.04 3.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.5 -30.08 75.88 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.474 1.109 . . . . 0.0 111.03 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.505 ' NE1' HD11 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -59.29 -31.94 69.58 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.561 ' HG2' HD12 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -49.52 -22.87 1.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.14 -28.51 66.22 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.43 -8.94 46.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 0.781 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.561 HD12 ' HG2' ' A' ' 15' ' ' GLU . 5.1 mt -62.85 -40.15 87.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -69.44 100.9 1.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.485 1.115 . . . . 0.0 111.024 -179.981 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER -77.11 -47.71 19.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -50.43 -24.65 3.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.997 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.33 -26.11 55.58 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -81.84 -38.9 24.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.59 -39.23 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.355 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.13 -37.06 61.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.272 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -53.76 -37.91 58.2 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.426 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.17 -35.56 21.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.77 -26.81 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.426 ' N ' ' C ' ' A' ' 9' ' ' ALA . 0.8 OUTLIER -54.06 -24.72 18.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.276 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -131.09 -8.99 3.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.61 -30.07 75.79 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.495 1.122 . . . . 0.0 111.037 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.607 ' NE1' HD11 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -59.34 -26.8 65.35 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -40.88 -42.37 1.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.76 -39.28 66.16 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.5 1.125 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 14' ' ' TRP . 0.3 OUTLIER -66.59 -8.86 29.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 0.793 . . . . 0.0 111.016 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.607 HD11 ' NE1' ' A' ' 14' ' ' TRP . 5.2 mt -69.36 -62.29 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.0 t0 40.37 69.56 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 -179.983 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.53 -50.33 15.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 0.797 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -49.51 -24.83 2.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 111.034 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.24 -26.53 54.85 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.99 -39.15 24.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.47 -39.32 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.252 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.92 -35.59 34.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.97 -38.34 84.52 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.137 . . . . 0.0 110.971 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.421 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.2 -35.33 21.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 0.751 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.1 mt -45.35 -26.51 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.421 ' N ' ' C ' ' A' ' 9' ' ' ALA . 1.2 tm-20 -54.99 -24.73 25.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -131.06 -9.09 3.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.64 -29.39 74.68 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.646 ' NE1' HD11 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -62.18 -34.7 76.92 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -40.77 -34.08 0.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.296 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.94 -43.51 22.03 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -68.06 -8.71 40.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.768 . . . . 0.0 110.991 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.646 HD11 ' NE1' ' A' ' 14' ' ' TRP . 7.2 mt -62.43 -64.76 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -52.96 170.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 179.96 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 5' ' ' ALA . 0.4 OUTLIER -75.82 -50.35 15.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 0.758 . . . . 0.0 109.313 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -49.26 -25.26 2.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.74 -26.45 56.3 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.53 1.144 . . . . 0.0 110.961 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 2' ' ' LEU . . . -82.59 -40.05 21.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.77 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.597 HG22 HG13 ' A' ' 10' ' ' ILE . 12.4 mt -45.68 -39.44 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -48.07 -34.76 10.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.52 -38.78 96.36 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.16 -37.95 19.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 109.267 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.597 HG13 HG22 ' A' ' 6' ' ' ILE . 3.2 mt -45.32 -26.64 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -54.89 -24.79 25.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -131.17 -9.01 3.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 109.318 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.63 -29.41 74.72 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.459 1.099 . . . . 0.0 110.974 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.647 ' NE1' HD11 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -62.42 -34.6 77.08 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -42.45 -32.65 0.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.98 -41.25 28.09 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.528 1.142 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' ' 14' ' ' TRP . 9.0 mtt -71.14 -8.76 55.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 0.766 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.647 HD11 ' NE1' ' A' ' 14' ' ' TRP . 7.4 mt -62.89 -58.78 6.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -75.06 110.17 9.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 109.329 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 -179.95 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.79 -50.08 16.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 0.74 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -49.79 -24.64 2.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.41 -26.6 54.26 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -81.57 -38.76 25.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 0.776 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.54 -39.29 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.27 -37.26 61.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -53.49 -37.73 56.58 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.417 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.2 -35.48 21.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 109.298 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -45.36 -26.55 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.417 ' N ' ' C ' ' A' ' 9' ' ' ALA . 41.1 mm-40 -55.09 -24.89 27.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -131.11 -9.14 3.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.57 -30.0 75.7 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.478 1.111 . . . . 0.0 110.983 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.671 ' NE1' HD11 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -62.9 -38.09 89.57 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.42 ' HG2' HD12 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -43.85 -26.55 0.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.355 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.92 -45.83 11.57 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -8.83 56.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.747 . . . . 0.0 110.945 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.671 HD11 ' NE1' ' A' ' 14' ' ' TRP . 6.9 mt -59.26 -64.03 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -53.3 142.74 20.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 179.99 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.11 -46.45 34.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -50.8 -24.76 3.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 111.002 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.28 -26.03 55.89 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.439 1.087 . . . . 0.0 110.956 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -81.56 -38.73 25.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 0.0 109.341 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.1 mt -47.01 -39.06 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.51 -36.18 61.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -54.14 -37.97 60.17 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.401 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.22 -36.37 21.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 0.775 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -45.04 -26.69 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 9' ' ' ALA . 26.3 mt-10 -54.56 -24.79 22.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.6 p30 -131.1 -8.98 3.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.68 -29.84 75.37 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.502 ' NE1' HD11 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -60.48 -34.04 73.46 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.668 ' HG3' HD12 ' A' ' 18' ' ' ILE . 1.3 tt0 -50.17 -27.71 6.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.25 -23.9 76.15 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.485 1.115 . . . . 0.0 111.035 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 21.7 mtp -97.33 -8.8 28.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 0.738 . . . . 0.0 110.932 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.668 HD12 ' HG3' ' A' ' 15' ' ' GLU . 4.6 mt -61.73 -51.81 68.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -64.33 116.71 6.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.48 1.112 . . . . 0.0 110.95 179.988 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.91 -48.35 58.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 0.766 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -50.14 -24.64 2.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.45 -25.93 55.72 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.425 1.078 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -82.39 -39.11 23.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.3 mt -46.23 -39.45 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.35 -37.64 56.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -54.19 -37.8 59.99 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.487 1.117 . . . . 0.0 111.033 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.405 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.12 -36.74 20.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 0.776 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.86 -26.77 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 9' ' ' ALA . 4.6 mm-40 -54.07 -24.69 18.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.404 ' O ' ' CG ' ' A' ' 15' ' ' GLU . 8.1 t30 -131.06 -8.94 3.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.62 -30.01 75.68 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.514 1.134 . . . . 0.0 111.041 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.669 ' NE1' HD11 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -58.77 -24.3 61.52 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.404 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -43.8 -27.21 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.163 . . . . 0.0 110.276 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.83 -42.13 54.03 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -67.22 -8.8 34.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 0.781 . . . . 0.0 110.998 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.669 HD11 ' NE1' ' A' ' 14' ' ' TRP . 5.4 mt -78.05 -51.38 17.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -57.31 -51.62 68.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 179.975 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.482 HD12 ' HA ' ' A' ' 2' ' ' LEU . 9.3 tp -74.89 -50.76 15.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 0.789 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -49.14 -25.46 2.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 110.959 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.55 -26.67 56.35 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.491 1.119 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 2' ' ' LEU . . . -82.37 -40.12 21.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.638 HG22 HG13 ' A' ' 10' ' ' ILE . 12.4 mt -45.64 -39.38 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -47.82 -35.34 10.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.5 -38.71 96.24 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.446 1.091 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.424 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.15 -38.19 19.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 0.775 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.638 HG13 HG22 ' A' ' 6' ' ' ILE . 3.2 mt -45.34 -26.6 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 9' ' ' ALA . 6.2 mm-40 -55.04 -24.93 27.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.102 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -131.17 -9.11 3.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.65 -29.73 75.21 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.622 ' NE1' HD11 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -62.7 -30.25 71.26 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -41.37 -53.68 3.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.305 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.81 -30.93 79.28 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.473 1.108 . . . . 0.0 111.03 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -73.05 -8.83 57.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 0.785 . . . . 0.0 111.002 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.622 HD11 ' NE1' ' A' ' 14' ' ' TRP . 5.5 mt -70.14 -61.71 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.255 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.8 t70 40.55 76.63 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.526 1.141 . . . . 0.0 110.985 -179.987 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.87 -50.32 15.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 0.773 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -49.4 -24.9 2.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.13 -26.52 55.17 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.444 1.09 . . . . 0.0 110.964 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.18 -39.0 23.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 0.777 . . . . 0.0 109.319 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.47 -39.28 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.01 -36.09 37.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.334 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.51 -38.09 78.73 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.516 1.135 . . . . 0.0 111.028 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.404 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.21 -36.46 20.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 0.758 . . . . 0.0 109.257 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.96 -26.76 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -54.22 -24.81 19.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -131.14 -8.94 3.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.61 -29.42 74.74 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.474 1.109 . . . . 0.0 110.967 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.752 ' NE1' HD11 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -61.05 -36.46 79.63 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.597 ' HG3' HD12 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -48.46 -29.25 3.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 110.304 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.38 -29.48 70.04 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.501 1.126 . . . . 0.0 110.968 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.96 -8.86 50.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 0.744 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.752 HD11 ' NE1' ' A' ' 14' ' ' TRP . 14.3 mt -62.69 -51.16 75.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -69.15 106.66 2.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.344 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.466 1.104 . . . . 0.0 110.984 -179.994 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.88 -48.66 52.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 0.785 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -49.47 -25.19 2.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.89 -25.98 56.9 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.02 -39.33 21.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 0.776 . . . . 0.0 109.305 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.3 mt -46.17 -39.48 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.19 -35.0 15.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.46 -38.36 93.41 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.122 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.424 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.2 -36.37 21.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.773 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.99 -26.78 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 9' ' ' ALA . 0.2 OUTLIER -54.25 -24.91 20.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.311 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -131.12 -9.02 3.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.67 -29.22 74.39 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.625 ' NE1' HD11 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -62.26 -30.58 71.21 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -39.87 -48.39 2.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.313 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.56 -37.05 84.7 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.438 1.086 . . . . 0.0 110.955 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 14' ' ' TRP . 36.1 mtp -67.65 -8.83 37.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.778 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.625 HD11 ' NE1' ' A' ' 14' ' ' TRP . 5.2 mt -68.51 -62.63 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.7 t0 40.74 85.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.55 1.157 . . . . 0.0 111.011 -179.975 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.62 -47.93 61.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 0.733 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -50.27 -24.64 3.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.34 -26.12 55.53 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.468 1.105 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -82.0 -38.94 24.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.59 -39.28 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.45 -36.82 55.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -55.05 -37.88 64.46 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.464 1.103 . . . . 0.0 110.983 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.12 -36.6 21.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 109.373 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.1 mt -44.91 -26.72 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -54.29 -24.73 20.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -131.06 -8.97 3.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.61 -30.0 75.66 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.673 ' NE1' HD11 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -60.28 -34.68 74.09 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.12 -28.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.421 ' N ' ' C ' ' A' ' 14' ' ' TRP . . . -77.81 -47.79 8.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.542 1.151 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.408 ' N ' ' O ' ' A' ' 14' ' ' TRP . 35.1 mtt -65.84 -9.01 25.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.756 . . . . 0.0 111.038 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.673 HD11 ' NE1' ' A' ' 14' ' ' TRP . 7.8 mt -61.18 -62.35 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -60.96 -53.99 50.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.539 1.149 . . . . 0.0 111.001 -179.962 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 5' ' ' ALA . 0.4 OUTLIER -70.19 -48.5 56.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 0.765 . . . . 0.0 109.315 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -49.28 -25.07 2.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.96 -26.44 55.75 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.566 1.166 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 2' ' ' LEU . . . -82.53 -39.54 22.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.756 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.3 mt -46.01 -39.41 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.21 -35.53 17.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -58.97 -38.23 92.48 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.416 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.24 -35.57 21.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 0.748 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -45.25 -26.62 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.346 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 9' ' ' ALA . 1.5 mm-40 -55.06 -24.96 27.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.269 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 23.3 p30 -131.19 -9.05 3.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.66 -29.27 74.48 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.475 1.109 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.755 ' NE1' HD11 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -63.15 -35.9 81.82 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -43.81 -26.52 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.411 ' N ' ' C ' ' A' ' 14' ' ' TRP . . . -74.25 -43.35 32.33 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.458 1.099 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 14' ' ' TRP . 3.8 mtp -68.91 -8.81 47.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 0.787 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.755 HD11 ' NE1' ' A' ' 14' ' ' TRP . 6.4 mt -69.88 -61.01 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.349 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.59 -57.51 9.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 179.999 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 5' ' ' ALA . 1.0 OUTLIER -74.77 -50.9 15.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.769 . . . . 0.0 109.333 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -49.25 -24.87 1.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 0.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.0 -27.03 54.37 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.541 1.151 . . . . 0.0 110.963 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 2' ' ' LEU . . . -81.84 -39.57 23.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 0.792 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.458 HG22 HG13 ' A' ' 10' ' ' ILE . 12.3 mt -46.11 -39.37 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.21 -35.11 16.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.71 -38.44 93.84 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.426 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.18 -37.7 19.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 0.793 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.458 HG13 HG22 ' A' ' 6' ' ' ILE . 3.2 mt -44.61 -26.84 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.426 ' N ' ' C ' ' A' ' 9' ' ' ALA . 7.7 pt-20 -54.16 -29.92 47.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -130.9 -9.19 3.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -66.75 -30.1 75.73 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.486 ' NE1' HD11 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -58.73 -34.69 71.63 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -47.82 -25.56 1.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.282 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.44 -33.11 59.02 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.478 1.111 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.429 ' N ' ' O ' ' A' ' 14' ' ' TRP . 9.3 mtt -83.58 -8.84 59.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 110.992 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.486 HD11 ' NE1' ' A' ' 14' ' ' TRP . 5.6 mt -64.24 -31.1 52.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.01 103.03 12.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.235 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.491 1.12 . . . . 0.0 110.988 179.964 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 5' ' ' ALA . 0.7 OUTLIER -75.77 -48.66 20.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 109.315 179.98 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -50.34 -24.62 3.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.25 -26.71 54.44 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.558 1.161 . . . . 0.0 110.969 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -81.26 -39.05 25.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 0.765 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.38 -39.33 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.16 -37.65 62.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -53.37 -37.69 55.94 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.539 1.15 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.429 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.23 -36.84 20.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.7 -26.95 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.579 1.174 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.429 ' N ' ' C ' ' A' ' 9' ' ' ALA . 32.5 mt-10 -53.87 -24.84 17.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.348 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -131.02 -9.05 3.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.51 -30.12 75.94 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.538 1.148 . . . . 0.0 111.001 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.45 ' O ' ' N ' ' A' ' 17' ' ' MET . 0.0 OUTLIER -59.18 -20.02 50.25 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -44.81 -26.01 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 110.341 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.407 ' N ' ' C ' ' A' ' 14' ' ' TRP . . . -70.64 -40.03 66.69 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.125 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -70.07 -8.8 52.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 0.784 . . . . 0.0 110.956 -179.981 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 6.9 mt -80.76 -56.55 6.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 40.51 56.55 2.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.549 1.156 . . . . 0.0 110.994 -179.992 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.42 -48.58 16.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 0.797 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -50.17 -24.74 2.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.23 -26.6 54.72 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -81.36 -38.82 26.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 0.775 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.1 mt -46.65 -39.25 4.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.36 -37.2 62.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -53.45 -37.83 56.61 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.437 1.085 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.43 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.17 -36.72 20.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 0.779 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.59 -26.83 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.43 ' N ' ' C ' ' A' ' 9' ' ' ALA . 9.7 pt-20 -54.2 -29.84 47.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.095 . . . . 0.0 110.27 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 17.9 p30 -130.94 -9.26 3.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -66.67 -30.11 75.81 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.747 ' NE1' HD11 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -58.8 -35.78 73.4 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.953 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -43.07 -26.7 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.409 ' N ' ' C ' ' A' ' 14' ' ' TRP . . . -70.72 -43.71 58.88 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.542 1.151 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.498 ' CG ' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -66.53 -8.83 29.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 0.0 111.001 179.984 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.747 HD11 ' NE1' ' A' ' 14' ' ' TRP . 5.2 mt -76.01 -56.64 7.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.413 1.071 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.83 135.68 2.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.972 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 5' ' ' ALA . 0.4 OUTLIER -73.86 -50.94 17.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 0.0 109.293 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -49.5 -24.65 2.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.45 -26.45 54.5 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -82.12 -38.79 24.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 0.759 . . . . 0.0 109.349 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.35 -39.39 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.309 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.57 -37.35 57.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -53.98 -37.81 59.06 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 0.0 111.036 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.418 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.21 -36.27 21.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 0.757 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -45.33 -26.68 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.418 ' N ' ' C ' ' A' ' 9' ' ' ALA . 5.8 mt-10 -55.05 -24.94 27.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -131.2 -9.1 3.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.78 -29.91 75.41 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.782 ' NE1' HD11 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -63.88 -38.44 91.09 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.84 -27.39 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.241 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.14 -44.05 37.16 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.56 1.162 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' ' 14' ' ' TRP . 4.7 mtt -67.27 -8.8 34.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 0.756 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.782 HD11 ' NE1' ' A' ' 14' ' ' TRP . 6.4 mt -71.47 -61.12 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.079 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -47.54 126.6 10.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.547 1.155 . . . . 0.0 110.983 -179.975 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.96 -48.75 15.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.763 . . . . 0.0 109.256 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -50.47 -24.58 3.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.997 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.27 -26.51 54.83 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 179.927 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -81.22 -38.76 26.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 0.79 . . . . 0.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.1 mt -46.84 -39.16 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.71 -36.68 62.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -53.64 -37.82 57.43 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.43 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.27 -36.37 20.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.777 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.84 -26.73 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.43 ' N ' ' C ' ' A' ' 9' ' ' ALA . 9.7 pt-20 -54.39 -29.61 49.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 110.268 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -130.91 -9.08 3.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -66.75 -30.05 75.65 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.549 1.155 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.698 ' NE1' HD11 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -58.43 -43.01 88.54 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.955 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.763 ' HG2' HD12 ' A' ' 18' ' ' ILE . 4.7 mt-10 -49.82 -22.69 1.54 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 110.333 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.73 -28.54 73.51 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.509 1.13 . . . . 0.0 111.045 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 8.9 mmt -96.87 -8.85 29.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 0.764 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.763 HD12 ' HG2' ' A' ' 15' ' ' GLU . 8.9 mt -58.6 -49.5 82.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -52.04 -60.5 3.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.493 1.12 . . . . 0.0 110.996 -179.976 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 5' ' ' ALA . 1.0 OUTLIER -77.15 -49.54 14.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 0.742 . . . . 0.0 109.32 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -49.31 -25.21 2.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.78 -26.22 56.65 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.121 . . . . 0.0 110.948 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 2' ' ' LEU . . . -83.12 -40.19 20.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 0.786 . . . . 0.0 109.247 -179.944 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.799 HG22 HG13 ' A' ' 10' ' ' ILE . 12.2 mt -45.45 -39.49 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -47.63 -35.0 8.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.45 -39.2 97.49 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.435 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.16 -40.29 16.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.799 HG13 HG22 ' A' ' 6' ' ' ILE . 3.2 mt -44.44 -26.83 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.435 ' N ' ' C ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -53.78 -30.29 44.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.42 ' N ' ' HG3' ' A' ' 11' ' ' GLU . 12.6 p30 -131.13 -9.42 3.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -66.96 -30.06 75.5 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.467 1.105 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.664 ' NE1' HD11 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -64.43 -45.29 88.17 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.959 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.455 ' HA ' HD12 ' A' ' 18' ' ' ILE . 58.5 tt0 -46.34 -24.53 0.5 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.55 -50.95 6.25 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -71.46 -8.76 55.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 0.783 . . . . 0.0 110.981 -179.952 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.664 HD11 ' NE1' ' A' ' 14' ' ' TRP . 4.3 mt -52.04 -39.19 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -78.41 177.34 8.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.485 1.115 . . . . 0.0 110.996 179.958 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.401 ' O ' ' N ' ' A' ' 5' ' ' ALA . 0.6 OUTLIER -74.15 -47.99 32.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.772 . . . . 0.0 109.277 -179.984 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -49.95 -24.91 2.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.992 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.16 -25.7 56.89 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.512 1.132 . . . . 0.0 111.005 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 2' ' ' LEU . . . -82.81 -39.15 22.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.52 -39.25 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.157 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.3 -34.82 24.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.22 -38.68 62.2 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 0.0 110.955 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 13' ' ' GLY . . . -85.3 -36.12 21.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 0.748 . . . . 0.0 109.342 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.0 mt -46.16 -32.35 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.19 -24.58 7.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 -130.92 -8.96 3.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.425 1.078 . . . . 0.0 109.35 179.945 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -66.63 -30.12 75.86 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.686 ' NE1' HD11 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -61.04 -29.94 70.02 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.989 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -45.3 -25.66 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 110.303 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.81 -47.59 9.56 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.468 1.105 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -66.99 -8.83 32.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 0.766 . . . . 0.0 110.968 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.686 HD11 ' NE1' ' A' ' 14' ' ' TRP . 6.2 mt -64.03 -63.73 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -59.08 124.95 21.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 179.997 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.6 -49.63 20.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 0.778 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -49.66 -24.81 2.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.21 -26.49 55.02 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.523 1.139 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -82.12 -39.6 23.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 0.724 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.5 mt -45.56 -39.66 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.344 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.59 -39.09 57.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 179.958 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -53.51 -37.8 56.83 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 0.0 111.039 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.44 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.16 -37.62 19.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 0.758 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -43.53 -27.17 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.44 ' N ' ' C ' ' A' ' 9' ' ' ALA . 7.7 pt-20 -52.89 -31.51 40.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -131.11 -10.53 3.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.937 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -67.49 -30.03 74.66 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.481 1.113 . . . . 0.0 110.967 -179.93 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.411 ' CG ' ' N ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -77.02 -65.8 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.411 ' N ' ' CG ' ' A' ' 14' ' ' TRP . 0.6 OUTLIER -48.7 -25.38 1.77 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 179.991 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.98 -23.18 71.02 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.454 1.096 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.03 -8.82 22.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 0.792 . . . . 0.0 110.979 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mt -61.12 -48.57 88.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -59.37 107.26 0.54 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.534 1.146 . . . . 0.0 110.958 -179.98 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 5' ' ' ALA . 0.6 OUTLIER -74.96 -49.94 18.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 0.778 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -49.24 -25.41 2.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.58 -26.78 56.06 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.538 1.149 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 2' ' ' LEU . . . -81.92 -39.42 23.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 0.771 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.443 HG22 HG13 ' A' ' 10' ' ' ILE . 12.2 mt -46.16 -39.35 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.75 -35.66 23.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -58.7 -38.47 91.84 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.504 1.127 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 13' ' ' GLY . . . -85.09 -38.79 18.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.785 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.443 HG13 HG22 ' A' ' 6' ' ' ILE . 3.2 mt -43.41 -27.16 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' ' 9' ' ' ALA . 7.1 pt-20 -52.77 -31.72 39.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.32 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -131.2 -10.39 3.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -67.37 -30.12 74.94 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.475 1.109 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.928 ' NE1' HD11 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -75.36 -35.75 61.08 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.993 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.432 ' HA ' ' CG1' ' A' ' 18' ' ' ILE . 18.7 tt0 -52.49 -37.55 57.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.268 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.09 -39.02 97.5 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.481 1.113 . . . . 0.0 111.036 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.31 -8.53 40.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.928 HD11 ' NE1' ' A' ' 14' ' ' TRP . 23.1 mm -69.24 -62.2 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.574 1.171 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -67.66 112.28 4.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.35 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.546 1.153 . . . . 0.0 111.024 179.995 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.52 -50.43 15.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 0.776 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -49.39 -24.92 2.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.1 -26.65 54.95 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.467 1.104 . . . . 0.0 111.052 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.9 -39.04 24.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 0.779 . . . . 0.0 109.241 -179.959 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.61 -39.19 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.961 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.81 -34.91 29.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -53.64 -38.67 59.22 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.51 1.131 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 13' ' ' GLY . . . -85.29 -37.29 20.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.3 mt -44.57 -31.77 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -50.75 -27.72 7.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -130.83 -9.08 3.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -66.7 -30.04 75.67 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.642 ' NE1' HD11 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -59.19 -25.43 63.96 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.978 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -46.91 -39.53 12.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.324 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.74 -28.8 73.47 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.513 1.133 . . . . 0.0 111.037 179.94 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.432 ' N ' ' O ' ' A' ' 14' ' ' TRP . 1.9 mmt -80.03 -8.86 59.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.763 . . . . 0.0 111.032 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.642 HD11 ' NE1' ' A' ' 14' ' ' TRP . 5.9 mt -73.47 -59.74 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -53.46 -61.75 2.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 179.99 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.93 -49.68 15.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 0.771 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -49.53 -24.91 2.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.15 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.13 -26.22 55.81 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.5 -39.28 22.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 0.783 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.39 -39.27 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.958 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.01 -35.42 24.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -53.91 -38.55 60.31 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.528 1.142 . . . . 0.0 110.976 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 13' ' ' GLY . . . -85.33 -36.91 20.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 0.757 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.3 mt -44.59 -31.72 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.957 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -50.75 -27.81 7.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.297 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -130.77 -9.1 3.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -66.64 -30.09 75.79 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.535 1.147 . . . . 0.0 111.037 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.617 ' NE1' HD11 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -60.01 -25.08 65.01 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.977 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -47.47 -41.26 20.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.88 -24.59 76.91 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.418 ' N ' ' O ' ' A' ' 14' ' ' TRP . 0.4 OUTLIER -82.59 -8.81 59.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 0.734 . . . . 0.0 111.012 180.0 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.617 HD11 ' NE1' ' A' ' 14' ' ' TRP . 5.6 mt -71.87 -56.2 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.39 176.34 8.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.349 179.955 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 179.962 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.58 -50.87 16.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 0.779 . . . . 0.0 109.245 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -49.4 -24.74 2.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.3 -26.83 54.03 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.504 1.128 . . . . 0.0 110.983 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -81.61 -38.67 25.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 0.763 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.1 mt -46.69 -39.32 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.19 -36.33 51.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -55.02 -38.07 64.69 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.508 1.13 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.15 -36.46 21.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 0.722 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.91 -26.81 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.21 -24.7 19.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.298 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -131.2 -8.93 3.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.65 -29.98 75.61 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.51 -48.9 14.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.766 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -49.88 -25.02 2.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.88 -27.11 54.44 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -80.78 -39.12 27.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.759 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.1 mt -46.69 -39.16 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.02 -35.92 48.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -55.44 -38.18 68.98 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.427 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.17 -35.15 21.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 0.788 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.66 -26.88 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' A' ' 9' ' ' ALA . 3.9 mm-40 -53.86 -24.75 16.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.254 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -131.06 -8.94 3.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.57 -30.1 75.87 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.455 1.097 . . . . 0.0 110.981 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.62 -50.38 15.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.775 . . . . 0.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -49.46 -24.73 2.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 111.059 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.28 -26.62 54.55 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.499 1.124 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.98 -38.91 24.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 0.765 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.1 mt -46.59 -39.27 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.22 -35.57 37.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.07 -38.07 83.46 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.467 1.104 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.424 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.22 -36.59 20.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.767 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.86 -26.79 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 9' ' ' ALA . 0.3 OUTLIER -54.07 -24.88 19.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.32 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -131.08 -9.04 3.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.58 -30.06 75.79 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.444 1.09 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 5' ' ' ALA . 0.6 OUTLIER -77.8 -48.6 16.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 0.763 . . . . 0.0 109.311 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -50.39 -24.64 3.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.24 -26.87 54.1 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -80.82 -38.92 27.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.762 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.61 -39.29 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.67 -37.31 63.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -53.23 -37.89 55.7 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.475 1.109 . . . . 0.0 111.0 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.427 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.1 -36.73 20.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.59 -26.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' A' ' 9' ' ' ALA . 5.4 mt-10 -53.76 -24.73 16.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.3 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -131.04 -8.96 3.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.57 -30.16 75.97 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.53 -50.42 15.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 0.762 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -49.73 -24.68 2.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.29 -26.89 53.93 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.463 1.102 . . . . 0.0 111.025 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -81.37 -38.88 25.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 0.773 . . . . 0.0 109.245 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.4 -39.35 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.01 -37.36 61.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -53.9 -37.78 58.59 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.4 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.12 -37.42 20.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.757 . . . . 0.0 109.277 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.56 -26.93 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.353 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.4 ' N ' ' C ' ' A' ' 9' ' ' ALA . 21.0 mt-10 -53.72 -24.76 15.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.282 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -131.0 -8.94 3.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.59 -30.02 75.72 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 5' ' ' ALA . 0.4 OUTLIER -74.99 -50.74 15.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 0.0 109.266 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -49.47 -24.63 2.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.4 -26.8 53.84 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -81.65 -38.82 25.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 0.784 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.1 mt -46.38 -39.44 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.61 -37.24 57.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -54.28 -37.78 60.37 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.512 1.133 . . . . 0.0 110.984 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.427 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.19 -36.5 20.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 0.737 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.1 mt -44.82 -26.83 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' A' ' 9' ' ' ALA . 31.3 mt-10 -53.96 -24.73 17.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -130.98 -8.91 3.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.61 -29.28 74.5 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.48 1.112 . . . . 0.0 111.033 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.11 -50.7 15.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 0.785 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -49.36 -24.41 1.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.55 -27.0 52.96 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.47 1.106 . . . . 0.0 111.039 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -81.59 -38.84 25.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 0.779 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.1 mt -46.34 -39.53 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.24 -37.01 54.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.267 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -54.41 -37.88 61.23 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.404 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.2 -36.48 20.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.76 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.3 mt -44.86 -26.85 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 9' ' ' ALA . 2.3 mm-40 -54.27 -24.76 20.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -131.14 -8.96 3.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.14 . . . . 0.0 109.31 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.66 -29.06 74.15 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.544 1.153 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.23 -47.7 22.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 0.73 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -50.37 -24.63 3.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.44 -25.98 55.64 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -81.95 -38.76 24.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 0.77 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.71 -39.28 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.54 -37.03 62.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.347 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -53.38 -37.85 56.29 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.17 -36.46 21.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 0.783 . . . . 0.0 109.329 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.73 -26.86 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.96 -24.88 18.1 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.55 1.156 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -131.08 -9.04 3.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.5 -30.08 75.88 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.474 1.109 . . . . 0.0 111.03 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER -77.11 -47.71 19.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -50.43 -24.65 3.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.997 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.33 -26.11 55.58 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -81.84 -38.9 24.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.59 -39.23 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.355 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.13 -37.06 61.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.272 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -53.76 -37.91 58.2 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.426 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.17 -35.56 21.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.77 -26.81 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.426 ' N ' ' C ' ' A' ' 9' ' ' ALA . 0.8 OUTLIER -54.06 -24.72 18.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.276 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -131.09 -8.99 3.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.61 -30.07 75.79 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.495 1.122 . . . . 0.0 111.037 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.53 -50.33 15.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 0.797 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -49.51 -24.83 2.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 111.034 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.24 -26.53 54.85 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.99 -39.15 24.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.47 -39.32 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.252 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.92 -35.59 34.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.97 -38.34 84.52 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.137 . . . . 0.0 110.971 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.421 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.2 -35.33 21.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 0.751 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.1 mt -45.35 -26.51 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.421 ' N ' ' C ' ' A' ' 9' ' ' ALA . 1.2 tm-20 -54.99 -24.73 25.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -131.06 -9.09 3.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.64 -29.39 74.68 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 5' ' ' ALA . 0.4 OUTLIER -75.82 -50.35 15.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 0.758 . . . . 0.0 109.313 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -49.26 -25.26 2.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.74 -26.45 56.3 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.53 1.144 . . . . 0.0 110.961 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 2' ' ' LEU . . . -82.59 -40.05 21.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.77 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.597 HG22 HG13 ' A' ' 10' ' ' ILE . 12.4 mt -45.68 -39.44 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -48.07 -34.76 10.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.52 -38.78 96.36 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.16 -37.95 19.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 109.267 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.597 HG13 HG22 ' A' ' 6' ' ' ILE . 3.2 mt -45.32 -26.64 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -54.89 -24.79 25.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -131.17 -9.01 3.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 109.318 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.63 -29.41 74.72 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.459 1.099 . . . . 0.0 110.974 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.79 -50.08 16.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 0.74 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -49.79 -24.64 2.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.41 -26.6 54.26 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -81.57 -38.76 25.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 0.776 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.54 -39.29 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.27 -37.26 61.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -53.49 -37.73 56.58 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.417 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.2 -35.48 21.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 109.298 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -45.36 -26.55 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.417 ' N ' ' C ' ' A' ' 9' ' ' ALA . 41.1 mm-40 -55.09 -24.89 27.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -131.11 -9.14 3.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.57 -30.0 75.7 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.478 1.111 . . . . 0.0 110.983 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.11 -46.45 34.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -50.8 -24.76 3.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 111.002 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.28 -26.03 55.89 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.439 1.087 . . . . 0.0 110.956 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -81.56 -38.73 25.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 0.0 109.341 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.1 mt -47.01 -39.06 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.51 -36.18 61.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -54.14 -37.97 60.17 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.401 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.22 -36.37 21.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 0.775 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -45.04 -26.69 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 9' ' ' ALA . 26.3 mt-10 -54.56 -24.79 22.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -131.1 -8.98 3.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.68 -29.84 75.37 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.91 -48.35 58.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 0.766 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -50.14 -24.64 2.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.45 -25.93 55.72 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.425 1.078 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -82.39 -39.11 23.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.3 mt -46.23 -39.45 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.35 -37.64 56.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -54.19 -37.8 59.99 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.487 1.117 . . . . 0.0 111.033 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.405 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.12 -36.74 20.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 0.776 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.86 -26.77 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 9' ' ' ALA . 4.6 mm-40 -54.07 -24.69 18.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -131.06 -8.94 3.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.62 -30.01 75.68 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.514 1.134 . . . . 0.0 111.041 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.482 HD12 ' HA ' ' A' ' 2' ' ' LEU . 9.3 tp -74.89 -50.76 15.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 0.789 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -49.14 -25.46 2.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 110.959 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.55 -26.67 56.35 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.491 1.119 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 2' ' ' LEU . . . -82.37 -40.12 21.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.638 HG22 HG13 ' A' ' 10' ' ' ILE . 12.4 mt -45.64 -39.38 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -47.82 -35.34 10.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.5 -38.71 96.24 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.446 1.091 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.424 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.15 -38.19 19.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 0.775 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.638 HG13 HG22 ' A' ' 6' ' ' ILE . 3.2 mt -45.34 -26.6 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 9' ' ' ALA . 6.2 mm-40 -55.04 -24.93 27.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.102 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -131.17 -9.11 3.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.65 -29.73 75.21 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.87 -50.32 15.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 0.773 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -49.4 -24.9 2.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.13 -26.52 55.17 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.444 1.09 . . . . 0.0 110.964 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.18 -39.0 23.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 0.777 . . . . 0.0 109.319 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.47 -39.28 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.01 -36.09 37.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.334 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.51 -38.09 78.73 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.516 1.135 . . . . 0.0 111.028 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.404 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.21 -36.46 20.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 0.758 . . . . 0.0 109.257 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.96 -26.76 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -54.22 -24.81 19.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -131.14 -8.94 3.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.61 -29.42 74.74 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.474 1.109 . . . . 0.0 110.967 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.88 -48.66 52.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 0.785 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -49.47 -25.19 2.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.89 -25.98 56.9 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.02 -39.33 21.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 0.776 . . . . 0.0 109.305 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.3 mt -46.17 -39.48 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.19 -35.0 15.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.46 -38.36 93.41 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.122 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.424 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.2 -36.37 21.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.773 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.99 -26.78 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 9' ' ' ALA . 0.2 OUTLIER -54.25 -24.91 20.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.311 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -131.12 -9.02 3.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.67 -29.22 74.39 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.62 -47.93 61.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 0.733 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -50.27 -24.64 3.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.34 -26.12 55.53 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.468 1.105 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -82.0 -38.94 24.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.59 -39.28 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.45 -36.82 55.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -55.05 -37.88 64.46 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.464 1.103 . . . . 0.0 110.983 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.12 -36.6 21.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 109.373 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.1 mt -44.91 -26.72 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -54.29 -24.73 20.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -131.06 -8.97 3.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.61 -30.0 75.66 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 5' ' ' ALA . 0.4 OUTLIER -70.19 -48.5 56.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 0.765 . . . . 0.0 109.315 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -49.28 -25.07 2.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.96 -26.44 55.75 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.566 1.166 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 2' ' ' LEU . . . -82.53 -39.54 22.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.756 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.3 mt -46.01 -39.41 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.21 -35.53 17.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -58.97 -38.23 92.48 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.416 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.24 -35.57 21.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 0.748 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -45.25 -26.62 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.346 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 9' ' ' ALA . 1.5 mm-40 -55.06 -24.96 27.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.269 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 23.3 p30 -131.19 -9.05 3.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.66 -29.27 74.48 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.475 1.109 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 5' ' ' ALA . 1.0 OUTLIER -74.77 -50.9 15.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.769 . . . . 0.0 109.333 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -49.25 -24.87 1.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 0.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.0 -27.03 54.37 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.541 1.151 . . . . 0.0 110.963 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 2' ' ' LEU . . . -81.84 -39.57 23.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 0.792 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.458 HG22 HG13 ' A' ' 10' ' ' ILE . 12.3 mt -46.11 -39.37 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.21 -35.11 16.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.71 -38.44 93.84 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.426 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.18 -37.7 19.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 0.793 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.458 HG13 HG22 ' A' ' 6' ' ' ILE . 3.2 mt -44.61 -26.84 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.426 ' N ' ' C ' ' A' ' 9' ' ' ALA . 7.7 pt-20 -54.16 -29.92 47.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -130.9 -9.19 3.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -66.75 -30.1 75.73 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 5' ' ' ALA . 0.7 OUTLIER -75.77 -48.66 20.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 109.315 179.98 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -50.34 -24.62 3.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.25 -26.71 54.44 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.558 1.161 . . . . 0.0 110.969 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -81.26 -39.05 25.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 0.765 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.38 -39.33 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.16 -37.65 62.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -53.37 -37.69 55.94 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.539 1.15 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.429 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.23 -36.84 20.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.7 -26.95 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.579 1.174 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.429 ' N ' ' C ' ' A' ' 9' ' ' ALA . 32.5 mt-10 -53.87 -24.84 17.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.348 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -131.02 -9.05 3.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.51 -30.12 75.94 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.538 1.148 . . . . 0.0 111.001 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.42 -48.58 16.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 0.797 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -50.17 -24.74 2.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.23 -26.6 54.72 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -81.36 -38.82 26.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 0.775 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.1 mt -46.65 -39.25 4.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.36 -37.2 62.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -53.45 -37.83 56.61 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.437 1.085 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.43 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.17 -36.72 20.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 0.779 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.59 -26.83 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.43 ' N ' ' C ' ' A' ' 9' ' ' ALA . 9.7 pt-20 -54.2 -29.84 47.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.095 . . . . 0.0 110.27 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 17.9 p30 -130.94 -9.26 3.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -66.67 -30.11 75.81 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.953 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 5' ' ' ALA . 0.4 OUTLIER -73.86 -50.94 17.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 0.0 109.293 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -49.5 -24.65 2.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.45 -26.45 54.5 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -82.12 -38.79 24.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 0.759 . . . . 0.0 109.349 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.35 -39.39 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.309 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.57 -37.35 57.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -53.98 -37.81 59.06 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 0.0 111.036 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.418 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.21 -36.27 21.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 0.757 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -45.33 -26.68 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.418 ' N ' ' C ' ' A' ' 9' ' ' ALA . 5.8 mt-10 -55.05 -24.94 27.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -131.2 -9.1 3.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.78 -29.91 75.41 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.96 -48.75 15.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.763 . . . . 0.0 109.256 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -50.47 -24.58 3.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.997 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.27 -26.51 54.83 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 179.927 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -81.22 -38.76 26.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 0.79 . . . . 0.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.1 mt -46.84 -39.16 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.71 -36.68 62.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -53.64 -37.82 57.43 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.43 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.27 -36.37 20.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.777 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.84 -26.73 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.43 ' N ' ' C ' ' A' ' 9' ' ' ALA . 9.7 pt-20 -54.39 -29.61 49.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 110.268 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -130.91 -9.08 3.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -66.75 -30.05 75.65 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.549 1.155 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 5' ' ' ALA . 1.0 OUTLIER -77.15 -49.54 14.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 0.742 . . . . 0.0 109.32 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -49.31 -25.21 2.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.78 -26.22 56.65 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.121 . . . . 0.0 110.948 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 2' ' ' LEU . . . -83.12 -40.19 20.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 0.786 . . . . 0.0 109.247 -179.944 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.799 HG22 HG13 ' A' ' 10' ' ' ILE . 12.2 mt -45.45 -39.49 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -47.63 -35.0 8.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.45 -39.2 97.49 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.435 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.16 -40.29 16.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.799 HG13 HG22 ' A' ' 6' ' ' ILE . 3.2 mt -44.44 -26.83 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.435 ' N ' ' C ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -53.78 -30.29 44.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.42 ' N ' ' HG3' ' A' ' 11' ' ' GLU . 12.6 p30 -131.13 -9.42 3.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -66.96 -30.06 75.5 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.467 1.105 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.401 ' O ' ' N ' ' A' ' 5' ' ' ALA . 0.6 OUTLIER -74.15 -47.99 32.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.772 . . . . 0.0 109.277 -179.984 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -49.95 -24.91 2.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.992 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.16 -25.7 56.89 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.512 1.132 . . . . 0.0 111.005 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 2' ' ' LEU . . . -82.81 -39.15 22.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.52 -39.25 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.157 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.3 -34.82 24.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.22 -38.68 62.2 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 0.0 110.955 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 13' ' ' GLY . . . -85.3 -36.12 21.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 0.748 . . . . 0.0 109.342 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.0 mt -46.16 -32.35 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.19 -24.58 7.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 -130.92 -8.96 3.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.425 1.078 . . . . 0.0 109.35 179.945 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -66.63 -30.12 75.86 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.6 -49.63 20.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 0.778 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -49.66 -24.81 2.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.21 -26.49 55.02 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.523 1.139 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -82.12 -39.6 23.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 0.724 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.5 mt -45.56 -39.66 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.344 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.59 -39.09 57.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 179.958 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -53.51 -37.8 56.83 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 0.0 111.039 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.44 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.16 -37.62 19.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 0.758 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -43.53 -27.17 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.44 ' N ' ' C ' ' A' ' 9' ' ' ALA . 7.7 pt-20 -52.89 -31.51 40.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -131.11 -10.53 3.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.937 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -67.49 -30.03 74.66 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.481 1.113 . . . . 0.0 110.967 -179.93 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 5' ' ' ALA . 0.6 OUTLIER -74.96 -49.94 18.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 0.778 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -49.24 -25.41 2.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.58 -26.78 56.06 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.538 1.149 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 2' ' ' LEU . . . -81.92 -39.42 23.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 0.771 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.443 HG22 HG13 ' A' ' 10' ' ' ILE . 12.2 mt -46.16 -39.35 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.75 -35.66 23.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -58.7 -38.47 91.84 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.504 1.127 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 13' ' ' GLY . . . -85.09 -38.79 18.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.785 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.443 HG13 HG22 ' A' ' 6' ' ' ILE . 3.2 mt -43.41 -27.16 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' ' 9' ' ' ALA . 7.1 pt-20 -52.77 -31.72 39.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.32 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -131.2 -10.39 3.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -67.37 -30.12 74.94 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.475 1.109 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.52 -50.43 15.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 0.776 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -49.39 -24.92 2.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.1 -26.65 54.95 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.467 1.104 . . . . 0.0 111.052 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.9 -39.04 24.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 0.779 . . . . 0.0 109.241 -179.959 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.61 -39.19 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.961 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.81 -34.91 29.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -53.64 -38.67 59.22 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.51 1.131 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 13' ' ' GLY . . . -85.29 -37.29 20.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.3 mt -44.57 -31.77 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -50.75 -27.72 7.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -130.83 -9.08 3.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -66.7 -30.04 75.67 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.93 -49.68 15.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 0.771 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -49.53 -24.91 2.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.15 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.13 -26.22 55.81 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.5 -39.28 22.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 0.783 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.39 -39.27 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.958 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.01 -35.42 24.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -53.91 -38.55 60.31 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.528 1.142 . . . . 0.0 110.976 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 13' ' ' GLY . . . -85.33 -36.91 20.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 0.757 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.3 mt -44.59 -31.72 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.957 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -50.75 -27.81 7.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.297 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -130.77 -9.1 3.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -66.64 -30.09 75.79 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.535 1.147 . . . . 0.0 111.037 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.58 -50.87 16.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 0.779 . . . . 0.0 109.245 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -49.4 -24.74 2.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.3 -26.83 54.03 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.504 1.128 . . . . 0.0 110.983 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -81.61 -38.67 25.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 0.763 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.1 mt -46.69 -39.32 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.19 -36.33 51.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -55.02 -38.07 64.69 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.508 1.13 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.15 -36.46 21.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 0.722 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.91 -26.81 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.21 -24.7 19.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.298 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -131.2 -8.93 3.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.65 -29.98 75.61 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.552 ' NE1' HD11 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -59.84 -32.25 70.5 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -47.97 -23.85 0.9 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.1 -35.81 57.14 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.48 1.112 . . . . 0.0 111.023 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 55.8 mtt -83.13 -8.81 59.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.756 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.552 HD11 ' NE1' ' A' ' 14' ' ' TRP . 5.8 mt -62.88 -59.68 3.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -60.06 127.06 29.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.132 . . . . 0.0 110.993 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.51 -48.9 14.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.766 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -49.88 -25.02 2.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.88 -27.11 54.44 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -80.78 -39.12 27.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.759 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.1 mt -46.69 -39.16 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.02 -35.92 48.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -55.44 -38.18 68.98 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.427 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.17 -35.15 21.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 0.788 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.66 -26.88 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' A' ' 9' ' ' ALA . 3.9 mm-40 -53.86 -24.75 16.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.254 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -131.06 -8.94 3.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.57 -30.1 75.87 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.455 1.097 . . . . 0.0 110.981 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.66 ' NE1' HD11 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -58.33 -27.85 64.52 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -43.23 -27.65 0.25 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.39 -44.99 25.83 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.517 1.136 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.413 ' N ' ' O ' ' A' ' 14' ' ' TRP . 5.0 mtt -66.36 -8.85 28.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 110.962 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.66 HD11 ' NE1' ' A' ' 14' ' ' TRP . 5.9 mt -69.69 -53.5 24.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -46.22 105.7 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.941 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.62 -50.38 15.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.775 . . . . 0.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -49.46 -24.73 2.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 111.059 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.28 -26.62 54.55 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.499 1.124 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.98 -38.91 24.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 0.765 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.1 mt -46.59 -39.27 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.22 -35.57 37.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.07 -38.07 83.46 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.467 1.104 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.424 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.22 -36.59 20.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.767 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.86 -26.79 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 9' ' ' ALA . 0.3 OUTLIER -54.07 -24.88 19.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.32 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -131.08 -9.04 3.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.58 -30.06 75.79 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.444 1.09 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.72 ' NE1' HD11 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -59.47 -31.64 69.52 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -46.56 -26.12 0.83 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.29 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.01 -35.18 83.54 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.52 1.138 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -78.58 -8.81 59.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.775 . . . . 0.0 111.004 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.72 HD11 ' NE1' ' A' ' 14' ' ' TRP . 6.4 mt -76.05 -39.03 36.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.44 128.82 37.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.513 1.133 . . . . 0.0 111.035 -179.943 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 5' ' ' ALA . 0.6 OUTLIER -77.8 -48.6 16.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 0.763 . . . . 0.0 109.311 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -50.39 -24.64 3.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.24 -26.87 54.1 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -80.82 -38.92 27.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.762 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.61 -39.29 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.67 -37.31 63.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -53.23 -37.89 55.7 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.475 1.109 . . . . 0.0 111.0 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.427 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.1 -36.73 20.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.59 -26.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' A' ' 9' ' ' ALA . 5.4 mt-10 -53.76 -24.73 16.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.3 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -131.04 -8.96 3.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.57 -30.16 75.97 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.515 ' NE1' HD11 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -58.49 -23.27 57.45 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -43.67 -36.7 2.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.73 -34.58 36.85 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.2 tmm? -78.69 -8.9 59.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 0.789 . . . . 0.0 110.955 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.515 HD11 ' NE1' ' A' ' 14' ' ' TRP . 5.6 mt -89.78 -51.14 12.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 50.98 179.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 110.968 -179.961 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.53 -50.42 15.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 0.762 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -49.73 -24.68 2.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.29 -26.89 53.93 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.463 1.102 . . . . 0.0 111.025 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -81.37 -38.88 25.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 0.773 . . . . 0.0 109.245 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.4 -39.35 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.01 -37.36 61.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -53.9 -37.78 58.59 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.4 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.12 -37.42 20.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.757 . . . . 0.0 109.277 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.56 -26.93 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.353 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.4 ' N ' ' C ' ' A' ' 9' ' ' ALA . 21.0 mt-10 -53.72 -24.76 15.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.282 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -131.0 -8.94 3.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.59 -30.02 75.72 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.516 ' NE1' HD11 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -59.27 -34.1 71.85 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.508 ' OE1' HD12 ' A' ' 18' ' ' ILE . 1.1 tp10 -50.2 -22.35 1.69 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.67 -32.12 67.4 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.462 1.101 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 9.1 mtt -92.27 -8.89 43.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 0.765 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.516 HD11 ' NE1' ' A' ' 14' ' ' TRP . 4.4 mt -57.56 -37.1 56.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.342 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -69.65 -50.49 43.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 5' ' ' ALA . 0.4 OUTLIER -74.99 -50.74 15.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 0.0 109.266 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -49.47 -24.63 2.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.4 -26.8 53.84 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -81.65 -38.82 25.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 0.784 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.1 mt -46.38 -39.44 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.61 -37.24 57.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -54.28 -37.78 60.37 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.512 1.133 . . . . 0.0 110.984 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.427 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.19 -36.5 20.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 0.737 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.1 mt -44.82 -26.83 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' A' ' 9' ' ' ALA . 31.3 mt-10 -53.96 -24.73 17.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -130.98 -8.91 3.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.61 -29.28 74.5 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.48 1.112 . . . . 0.0 111.033 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.593 ' NE1' HD11 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -61.33 -27.33 68.42 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.17 -45.8 5.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.85 -31.47 67.23 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.512 1.133 . . . . 0.0 111.011 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 14' ' ' TRP . 2.1 tmm? -75.85 -8.8 57.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 0.763 . . . . 0.0 110.97 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.593 HD11 ' NE1' ' A' ' 14' ' ' TRP . 6.9 mt -65.92 -63.97 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.13 99.77 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.569 1.168 . . . . 0.0 110.996 -179.978 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.11 -50.7 15.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 0.785 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -49.36 -24.41 1.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.55 -27.0 52.96 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.47 1.106 . . . . 0.0 111.039 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -81.59 -38.84 25.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 0.779 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.1 mt -46.34 -39.53 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.24 -37.01 54.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.267 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -54.41 -37.88 61.23 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.404 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.2 -36.48 20.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.76 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.3 mt -44.86 -26.85 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 9' ' ' ALA . 2.3 mm-40 -54.27 -24.76 20.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -131.14 -8.96 3.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.14 . . . . 0.0 109.31 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.66 -29.06 74.15 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.544 1.153 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.691 ' NE1' HD11 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -62.07 -32.62 73.17 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -41.46 -34.28 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.297 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.7 -42.96 37.56 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -66.15 -8.85 26.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.76 . . . . 0.0 111.007 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.691 HD11 ' NE1' ' A' ' 14' ' ' TRP . 6.0 mt -68.22 -62.42 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.098 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -53.9 117.95 3.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.12 . . . . 0.0 110.984 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.23 -47.7 22.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 0.73 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -50.37 -24.63 3.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.44 -25.98 55.64 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -81.95 -38.76 24.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 0.77 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.71 -39.28 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.54 -37.03 62.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.347 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -53.38 -37.85 56.29 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.17 -36.46 21.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 0.783 . . . . 0.0 109.329 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.73 -26.86 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.96 -24.88 18.1 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.55 1.156 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -131.08 -9.04 3.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.5 -30.08 75.88 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.474 1.109 . . . . 0.0 111.03 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.505 ' NE1' HD11 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -59.29 -31.94 69.58 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.561 ' HG2' HD12 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -49.52 -22.87 1.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.14 -28.51 66.22 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.43 -8.94 46.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 0.781 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.561 HD12 ' HG2' ' A' ' 15' ' ' GLU . 5.1 mt -62.85 -40.15 87.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -69.44 100.9 1.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.485 1.115 . . . . 0.0 111.024 -179.981 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER -77.11 -47.71 19.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -50.43 -24.65 3.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.997 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.33 -26.11 55.58 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -81.84 -38.9 24.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.59 -39.23 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.355 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.13 -37.06 61.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.272 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -53.76 -37.91 58.2 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.426 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.17 -35.56 21.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.77 -26.81 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.426 ' N ' ' C ' ' A' ' 9' ' ' ALA . 0.8 OUTLIER -54.06 -24.72 18.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.276 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -131.09 -8.99 3.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.61 -30.07 75.79 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.495 1.122 . . . . 0.0 111.037 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.607 ' NE1' HD11 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -59.34 -26.8 65.35 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -40.88 -42.37 1.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.76 -39.28 66.16 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.5 1.125 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 14' ' ' TRP . 0.3 OUTLIER -66.59 -8.86 29.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 0.793 . . . . 0.0 111.016 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.607 HD11 ' NE1' ' A' ' 14' ' ' TRP . 5.2 mt -69.36 -62.29 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.0 t0 40.37 69.56 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 -179.983 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.53 -50.33 15.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 0.797 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -49.51 -24.83 2.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 111.034 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.24 -26.53 54.85 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.99 -39.15 24.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.47 -39.32 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.252 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.92 -35.59 34.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.97 -38.34 84.52 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.137 . . . . 0.0 110.971 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.421 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.2 -35.33 21.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 0.751 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.1 mt -45.35 -26.51 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.421 ' N ' ' C ' ' A' ' 9' ' ' ALA . 1.2 tm-20 -54.99 -24.73 25.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -131.06 -9.09 3.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.64 -29.39 74.68 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.646 ' NE1' HD11 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -62.18 -34.7 76.92 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -40.77 -34.08 0.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.296 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.94 -43.51 22.03 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -68.06 -8.71 40.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.768 . . . . 0.0 110.991 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.646 HD11 ' NE1' ' A' ' 14' ' ' TRP . 7.2 mt -62.43 -64.76 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -52.96 170.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 179.96 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 5' ' ' ALA . 0.4 OUTLIER -75.82 -50.35 15.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 0.758 . . . . 0.0 109.313 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -49.26 -25.26 2.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.74 -26.45 56.3 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.53 1.144 . . . . 0.0 110.961 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 2' ' ' LEU . . . -82.59 -40.05 21.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.77 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.597 HG22 HG13 ' A' ' 10' ' ' ILE . 12.4 mt -45.68 -39.44 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -48.07 -34.76 10.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.52 -38.78 96.36 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.16 -37.95 19.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 109.267 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.597 HG13 HG22 ' A' ' 6' ' ' ILE . 3.2 mt -45.32 -26.64 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -54.89 -24.79 25.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -131.17 -9.01 3.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 109.318 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.63 -29.41 74.72 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.459 1.099 . . . . 0.0 110.974 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.647 ' NE1' HD11 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -62.42 -34.6 77.08 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -42.45 -32.65 0.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.98 -41.25 28.09 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.528 1.142 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' ' 14' ' ' TRP . 9.0 mtt -71.14 -8.76 55.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 0.766 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.647 HD11 ' NE1' ' A' ' 14' ' ' TRP . 7.4 mt -62.89 -58.78 6.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -75.06 110.17 9.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 109.329 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 -179.95 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.79 -50.08 16.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 0.74 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -49.79 -24.64 2.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.41 -26.6 54.26 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -81.57 -38.76 25.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 0.776 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.54 -39.29 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.27 -37.26 61.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -53.49 -37.73 56.58 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.417 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.2 -35.48 21.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 109.298 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -45.36 -26.55 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.417 ' N ' ' C ' ' A' ' 9' ' ' ALA . 41.1 mm-40 -55.09 -24.89 27.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -131.11 -9.14 3.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.57 -30.0 75.7 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.478 1.111 . . . . 0.0 110.983 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.671 ' NE1' HD11 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -62.9 -38.09 89.57 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.42 ' HG2' HD12 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -43.85 -26.55 0.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.355 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.92 -45.83 11.57 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -8.83 56.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.747 . . . . 0.0 110.945 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.671 HD11 ' NE1' ' A' ' 14' ' ' TRP . 6.9 mt -59.26 -64.03 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -53.3 142.74 20.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 179.99 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.11 -46.45 34.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -50.8 -24.76 3.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 111.002 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.28 -26.03 55.89 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.439 1.087 . . . . 0.0 110.956 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -81.56 -38.73 25.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 0.0 109.341 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.1 mt -47.01 -39.06 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.51 -36.18 61.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -54.14 -37.97 60.17 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.401 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.22 -36.37 21.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 0.775 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -45.04 -26.69 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 9' ' ' ALA . 26.3 mt-10 -54.56 -24.79 22.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -131.1 -8.98 3.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.68 -29.84 75.37 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.502 ' NE1' HD11 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -60.48 -34.04 73.46 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.668 ' HG3' HD12 ' A' ' 18' ' ' ILE . 1.3 tt0 -50.17 -27.71 6.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.25 -23.9 76.15 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.485 1.115 . . . . 0.0 111.035 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 21.7 mtp -97.33 -8.8 28.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 0.738 . . . . 0.0 110.932 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.668 HD12 ' HG3' ' A' ' 15' ' ' GLU . 4.6 mt -61.73 -51.81 68.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -64.33 116.71 6.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.48 1.112 . . . . 0.0 110.95 179.988 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.91 -48.35 58.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 0.766 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -50.14 -24.64 2.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.45 -25.93 55.72 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.425 1.078 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -82.39 -39.11 23.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.3 mt -46.23 -39.45 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.35 -37.64 56.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -54.19 -37.8 59.99 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.487 1.117 . . . . 0.0 111.033 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.405 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.12 -36.74 20.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 0.776 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.86 -26.77 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 9' ' ' ALA . 4.6 mm-40 -54.07 -24.69 18.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.404 ' O ' ' CG ' ' A' ' 15' ' ' GLU . 8.1 t30 -131.06 -8.94 3.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.62 -30.01 75.68 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.514 1.134 . . . . 0.0 111.041 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.669 ' NE1' HD11 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -58.77 -24.3 61.52 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.404 ' CG ' ' O ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -43.8 -27.21 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.163 . . . . 0.0 110.276 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.83 -42.13 54.03 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -67.22 -8.8 34.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 0.781 . . . . 0.0 110.998 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.669 HD11 ' NE1' ' A' ' 14' ' ' TRP . 5.4 mt -78.05 -51.38 17.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -57.31 -51.62 68.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 179.975 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.482 HD12 ' HA ' ' A' ' 2' ' ' LEU . 9.3 tp -74.89 -50.76 15.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 0.789 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -49.14 -25.46 2.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 110.959 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.55 -26.67 56.35 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.491 1.119 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 2' ' ' LEU . . . -82.37 -40.12 21.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.638 HG22 HG13 ' A' ' 10' ' ' ILE . 12.4 mt -45.64 -39.38 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -47.82 -35.34 10.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.5 -38.71 96.24 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.446 1.091 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.424 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.15 -38.19 19.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 0.775 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.638 HG13 HG22 ' A' ' 6' ' ' ILE . 3.2 mt -45.34 -26.6 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 9' ' ' ALA . 6.2 mm-40 -55.04 -24.93 27.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.102 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -131.17 -9.11 3.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.65 -29.73 75.21 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.622 ' NE1' HD11 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -62.7 -30.25 71.26 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -41.37 -53.68 3.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.305 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.81 -30.93 79.28 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.473 1.108 . . . . 0.0 111.03 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -73.05 -8.83 57.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 0.785 . . . . 0.0 111.002 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.622 HD11 ' NE1' ' A' ' 14' ' ' TRP . 5.5 mt -70.14 -61.71 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.255 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.8 t70 40.55 76.63 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.526 1.141 . . . . 0.0 110.985 -179.987 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.87 -50.32 15.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 0.773 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -49.4 -24.9 2.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.13 -26.52 55.17 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.444 1.09 . . . . 0.0 110.964 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.18 -39.0 23.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 0.777 . . . . 0.0 109.319 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.47 -39.28 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.01 -36.09 37.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.334 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.51 -38.09 78.73 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.516 1.135 . . . . 0.0 111.028 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.404 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.21 -36.46 20.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 0.758 . . . . 0.0 109.257 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.96 -26.76 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -54.22 -24.81 19.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -131.14 -8.94 3.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.61 -29.42 74.74 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.474 1.109 . . . . 0.0 110.967 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.752 ' NE1' HD11 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -61.05 -36.46 79.63 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.597 ' HG3' HD12 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -48.46 -29.25 3.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 110.304 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.38 -29.48 70.04 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.501 1.126 . . . . 0.0 110.968 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.96 -8.86 50.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 0.744 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.752 HD11 ' NE1' ' A' ' 14' ' ' TRP . 14.3 mt -62.69 -51.16 75.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -69.15 106.66 2.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.344 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.466 1.104 . . . . 0.0 110.984 -179.994 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.88 -48.66 52.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 0.785 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -49.47 -25.19 2.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.89 -25.98 56.9 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.02 -39.33 21.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 0.776 . . . . 0.0 109.305 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.3 mt -46.17 -39.48 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.19 -35.0 15.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.46 -38.36 93.41 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.122 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.424 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.2 -36.37 21.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.773 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.99 -26.78 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 9' ' ' ALA . 0.2 OUTLIER -54.25 -24.91 20.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.311 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -131.12 -9.02 3.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.67 -29.22 74.39 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.625 ' NE1' HD11 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -62.26 -30.58 71.21 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -39.87 -48.39 2.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.313 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.56 -37.05 84.7 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.438 1.086 . . . . 0.0 110.955 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 14' ' ' TRP . 36.1 mtp -67.65 -8.83 37.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.778 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.625 HD11 ' NE1' ' A' ' 14' ' ' TRP . 5.2 mt -68.51 -62.63 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.7 t0 40.74 85.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.55 1.157 . . . . 0.0 111.011 -179.975 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.62 -47.93 61.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 0.733 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -50.27 -24.64 3.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.34 -26.12 55.53 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.468 1.105 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -82.0 -38.94 24.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.59 -39.28 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.45 -36.82 55.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -55.05 -37.88 64.46 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.464 1.103 . . . . 0.0 110.983 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.12 -36.6 21.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 109.373 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.1 mt -44.91 -26.72 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -54.29 -24.73 20.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -131.06 -8.97 3.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.61 -30.0 75.66 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.673 ' NE1' HD11 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -60.28 -34.68 74.09 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.12 -28.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.421 ' N ' ' C ' ' A' ' 14' ' ' TRP . . . -77.81 -47.79 8.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.542 1.151 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.408 ' N ' ' O ' ' A' ' 14' ' ' TRP . 35.1 mtt -65.84 -9.01 25.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.756 . . . . 0.0 111.038 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.673 HD11 ' NE1' ' A' ' 14' ' ' TRP . 7.8 mt -61.18 -62.35 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -60.96 -53.99 50.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.539 1.149 . . . . 0.0 111.001 -179.962 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 5' ' ' ALA . 0.4 OUTLIER -70.19 -48.5 56.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 0.765 . . . . 0.0 109.315 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -49.28 -25.07 2.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.96 -26.44 55.75 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.566 1.166 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 2' ' ' LEU . . . -82.53 -39.54 22.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.756 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.3 mt -46.01 -39.41 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.21 -35.53 17.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -58.97 -38.23 92.48 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.416 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.24 -35.57 21.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 0.748 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -45.25 -26.62 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.346 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 9' ' ' ALA . 1.5 mm-40 -55.06 -24.96 27.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.269 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 23.3 p30 -131.19 -9.05 3.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.66 -29.27 74.48 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.475 1.109 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.755 ' NE1' HD11 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -63.15 -35.9 81.82 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -43.81 -26.52 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.411 ' N ' ' C ' ' A' ' 14' ' ' TRP . . . -74.25 -43.35 32.33 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.458 1.099 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 14' ' ' TRP . 3.8 mtp -68.91 -8.81 47.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 0.787 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.755 HD11 ' NE1' ' A' ' 14' ' ' TRP . 6.4 mt -69.88 -61.01 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.349 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.59 -57.51 9.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 179.999 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 5' ' ' ALA . 1.0 OUTLIER -74.77 -50.9 15.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.769 . . . . 0.0 109.333 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -49.25 -24.87 1.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 0.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.0 -27.03 54.37 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.541 1.151 . . . . 0.0 110.963 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 2' ' ' LEU . . . -81.84 -39.57 23.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 0.792 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.458 HG22 HG13 ' A' ' 10' ' ' ILE . 12.3 mt -46.11 -39.37 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.21 -35.11 16.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.71 -38.44 93.84 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.426 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.18 -37.7 19.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 0.793 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.458 HG13 HG22 ' A' ' 6' ' ' ILE . 3.2 mt -44.61 -26.84 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.426 ' N ' ' C ' ' A' ' 9' ' ' ALA . 7.7 pt-20 -54.16 -29.92 47.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -130.9 -9.19 3.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -66.75 -30.1 75.73 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.486 ' NE1' HD11 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -58.73 -34.69 71.63 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -47.82 -25.56 1.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.282 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.44 -33.11 59.02 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.478 1.111 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.429 ' N ' ' O ' ' A' ' 14' ' ' TRP . 9.3 mtt -83.58 -8.84 59.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 110.992 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.486 HD11 ' NE1' ' A' ' 14' ' ' TRP . 5.6 mt -64.24 -31.1 52.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.01 103.03 12.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.235 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.491 1.12 . . . . 0.0 110.988 179.964 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 5' ' ' ALA . 0.7 OUTLIER -75.77 -48.66 20.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 109.315 179.98 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -50.34 -24.62 3.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.25 -26.71 54.44 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.558 1.161 . . . . 0.0 110.969 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -81.26 -39.05 25.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 0.765 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.38 -39.33 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.16 -37.65 62.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -53.37 -37.69 55.94 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.539 1.15 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.429 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.23 -36.84 20.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.7 -26.95 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.579 1.174 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.429 ' N ' ' C ' ' A' ' 9' ' ' ALA . 32.5 mt-10 -53.87 -24.84 17.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.348 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -131.02 -9.05 3.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.51 -30.12 75.94 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.538 1.148 . . . . 0.0 111.001 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.45 ' O ' ' N ' ' A' ' 17' ' ' MET . 0.0 OUTLIER -59.18 -20.02 50.25 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -44.81 -26.01 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 110.341 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.407 ' N ' ' C ' ' A' ' 14' ' ' TRP . . . -70.64 -40.03 66.69 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.125 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -70.07 -8.8 52.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 0.784 . . . . 0.0 110.956 -179.981 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 6.9 mt -80.76 -56.55 6.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 40.51 56.55 2.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.549 1.156 . . . . 0.0 110.994 -179.992 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.42 -48.58 16.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 0.797 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -50.17 -24.74 2.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.23 -26.6 54.72 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -81.36 -38.82 26.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 0.775 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.1 mt -46.65 -39.25 4.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.36 -37.2 62.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -53.45 -37.83 56.61 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.437 1.085 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.43 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.17 -36.72 20.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 0.779 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.59 -26.83 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.43 ' N ' ' C ' ' A' ' 9' ' ' ALA . 9.7 pt-20 -54.2 -29.84 47.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.095 . . . . 0.0 110.27 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 17.9 p30 -130.94 -9.26 3.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -66.67 -30.11 75.81 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.747 ' NE1' HD11 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -58.8 -35.78 73.4 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.953 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -43.07 -26.7 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.409 ' N ' ' C ' ' A' ' 14' ' ' TRP . . . -70.72 -43.71 58.88 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.542 1.151 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.498 ' CG ' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -66.53 -8.83 29.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 0.0 111.001 179.984 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.747 HD11 ' NE1' ' A' ' 14' ' ' TRP . 5.2 mt -76.01 -56.64 7.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.413 1.071 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.83 135.68 2.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.972 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 5' ' ' ALA . 0.4 OUTLIER -73.86 -50.94 17.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 0.0 109.293 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -49.5 -24.65 2.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.45 -26.45 54.5 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -82.12 -38.79 24.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 0.759 . . . . 0.0 109.349 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.35 -39.39 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.309 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.57 -37.35 57.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -53.98 -37.81 59.06 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 0.0 111.036 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.418 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.21 -36.27 21.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 0.757 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -45.33 -26.68 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.418 ' N ' ' C ' ' A' ' 9' ' ' ALA . 5.8 mt-10 -55.05 -24.94 27.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -131.2 -9.1 3.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.78 -29.91 75.41 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.782 ' NE1' HD11 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -63.88 -38.44 91.09 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.84 -27.39 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.241 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.14 -44.05 37.16 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.56 1.162 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' ' 14' ' ' TRP . 4.7 mtt -67.27 -8.8 34.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 0.756 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.782 HD11 ' NE1' ' A' ' 14' ' ' TRP . 6.4 mt -71.47 -61.12 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.079 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -47.54 126.6 10.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.547 1.155 . . . . 0.0 110.983 -179.975 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.96 -48.75 15.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.763 . . . . 0.0 109.256 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -50.47 -24.58 3.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.997 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.27 -26.51 54.83 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 179.927 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -81.22 -38.76 26.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 0.79 . . . . 0.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.1 mt -46.84 -39.16 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.71 -36.68 62.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -53.64 -37.82 57.43 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.43 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.27 -36.37 20.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.777 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.84 -26.73 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.43 ' N ' ' C ' ' A' ' 9' ' ' ALA . 9.7 pt-20 -54.39 -29.61 49.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 110.268 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -130.91 -9.08 3.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -66.75 -30.05 75.65 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.549 1.155 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.698 ' NE1' HD11 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -58.43 -43.01 88.54 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.955 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.763 ' HG2' HD12 ' A' ' 18' ' ' ILE . 4.7 mt-10 -49.82 -22.69 1.54 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 110.333 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.73 -28.54 73.51 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.509 1.13 . . . . 0.0 111.045 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 8.9 mmt -96.87 -8.85 29.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 0.764 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.763 HD12 ' HG2' ' A' ' 15' ' ' GLU . 8.9 mt -58.6 -49.5 82.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -52.04 -60.5 3.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.493 1.12 . . . . 0.0 110.996 -179.976 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 5' ' ' ALA . 1.0 OUTLIER -77.15 -49.54 14.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 0.742 . . . . 0.0 109.32 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -49.31 -25.21 2.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.78 -26.22 56.65 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.121 . . . . 0.0 110.948 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 2' ' ' LEU . . . -83.12 -40.19 20.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 0.786 . . . . 0.0 109.247 -179.944 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.799 HG22 HG13 ' A' ' 10' ' ' ILE . 12.2 mt -45.45 -39.49 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -47.63 -35.0 8.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.45 -39.2 97.49 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.435 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.16 -40.29 16.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.799 HG13 HG22 ' A' ' 6' ' ' ILE . 3.2 mt -44.44 -26.83 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.435 ' N ' ' C ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -53.78 -30.29 44.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.42 ' N ' ' HG3' ' A' ' 11' ' ' GLU . 12.6 p30 -131.13 -9.42 3.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -66.96 -30.06 75.5 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.467 1.105 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.664 ' NE1' HD11 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -64.43 -45.29 88.17 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.959 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.455 ' HA ' HD12 ' A' ' 18' ' ' ILE . 58.5 tt0 -46.34 -24.53 0.5 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.55 -50.95 6.25 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -71.46 -8.76 55.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 0.783 . . . . 0.0 110.981 -179.952 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.664 HD11 ' NE1' ' A' ' 14' ' ' TRP . 4.3 mt -52.04 -39.19 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -78.41 177.34 8.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.485 1.115 . . . . 0.0 110.996 179.958 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.401 ' O ' ' N ' ' A' ' 5' ' ' ALA . 0.6 OUTLIER -74.15 -47.99 32.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.772 . . . . 0.0 109.277 -179.984 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -49.95 -24.91 2.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.992 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.16 -25.7 56.89 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.512 1.132 . . . . 0.0 111.005 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 2' ' ' LEU . . . -82.81 -39.15 22.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.52 -39.25 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.157 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.3 -34.82 24.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.22 -38.68 62.2 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 0.0 110.955 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 13' ' ' GLY . . . -85.3 -36.12 21.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 0.748 . . . . 0.0 109.342 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.0 mt -46.16 -32.35 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.19 -24.58 7.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 -130.92 -8.96 3.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.425 1.078 . . . . 0.0 109.35 179.945 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -66.63 -30.12 75.86 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.686 ' NE1' HD11 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -61.04 -29.94 70.02 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.989 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -45.3 -25.66 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 110.303 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.81 -47.59 9.56 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.468 1.105 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -66.99 -8.83 32.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 0.766 . . . . 0.0 110.968 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.686 HD11 ' NE1' ' A' ' 14' ' ' TRP . 6.2 mt -64.03 -63.73 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -59.08 124.95 21.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 179.997 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.6 -49.63 20.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 0.778 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -49.66 -24.81 2.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.21 -26.49 55.02 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.523 1.139 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 8' ' ' GLY . . . -82.12 -39.6 23.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 0.724 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.5 mt -45.56 -39.66 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.344 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.59 -39.09 57.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 179.958 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -53.51 -37.8 56.83 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 0.0 111.039 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.44 ' C ' ' N ' ' A' ' 11' ' ' GLU . . . -85.16 -37.62 19.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 0.758 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 mt -43.53 -27.17 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.44 ' N ' ' C ' ' A' ' 9' ' ' ALA . 7.7 pt-20 -52.89 -31.51 40.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -131.11 -10.53 3.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.937 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -67.49 -30.03 74.66 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.481 1.113 . . . . 0.0 110.967 -179.93 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.411 ' CG ' ' N ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -77.02 -65.8 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.411 ' N ' ' CG ' ' A' ' 14' ' ' TRP . 0.6 OUTLIER -48.7 -25.38 1.77 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 179.991 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.98 -23.18 71.02 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.454 1.096 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.03 -8.82 22.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 0.792 . . . . 0.0 110.979 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mt -61.12 -48.57 88.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -59.37 107.26 0.54 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.534 1.146 . . . . 0.0 110.958 -179.98 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 5' ' ' ALA . 0.6 OUTLIER -74.96 -49.94 18.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 0.778 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -49.24 -25.41 2.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.58 -26.78 56.06 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.538 1.149 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 2' ' ' LEU . . . -81.92 -39.42 23.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 0.771 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.443 HG22 HG13 ' A' ' 10' ' ' ILE . 12.2 mt -46.16 -39.35 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.75 -35.66 23.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . -58.7 -38.47 91.84 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.504 1.127 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 13' ' ' GLY . . . -85.09 -38.79 18.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.785 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.443 HG13 HG22 ' A' ' 6' ' ' ILE . 3.2 mt -43.41 -27.16 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' ' 9' ' ' ALA . 7.1 pt-20 -52.77 -31.72 39.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.32 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -131.2 -10.39 3.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -67.37 -30.12 74.94 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.475 1.109 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.928 ' NE1' HD11 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -75.36 -35.75 61.08 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.993 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.432 ' HA ' ' CG1' ' A' ' 18' ' ' ILE . 18.7 tt0 -52.49 -37.55 57.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.268 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.09 -39.02 97.5 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.481 1.113 . . . . 0.0 111.036 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.31 -8.53 40.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.928 HD11 ' NE1' ' A' ' 14' ' ' TRP . 23.1 mm -69.24 -62.2 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.574 1.171 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -67.66 112.28 4.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.35 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.546 1.153 . . . . 0.0 111.024 179.995 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.52 -50.43 15.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 0.776 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -49.39 -24.92 2.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.1 -26.65 54.95 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.467 1.104 . . . . 0.0 111.052 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.9 -39.04 24.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 0.779 . . . . 0.0 109.241 -179.959 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.61 -39.19 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.961 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.81 -34.91 29.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -53.64 -38.67 59.22 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.51 1.131 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 13' ' ' GLY . . . -85.29 -37.29 20.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.3 mt -44.57 -31.77 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -50.75 -27.72 7.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -130.83 -9.08 3.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -66.7 -30.04 75.67 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.642 ' NE1' HD11 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -59.19 -25.43 63.96 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.978 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -46.91 -39.53 12.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.324 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.74 -28.8 73.47 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.513 1.133 . . . . 0.0 111.037 179.94 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.432 ' N ' ' O ' ' A' ' 14' ' ' TRP . 1.9 mmt -80.03 -8.86 59.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.763 . . . . 0.0 111.032 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.642 HD11 ' NE1' ' A' ' 14' ' ' TRP . 5.9 mt -73.47 -59.74 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -53.46 -61.75 2.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 179.99 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.93 -49.68 15.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 0.771 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -49.53 -24.91 2.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.15 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.13 -26.22 55.81 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.5 -39.28 22.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 0.783 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -46.39 -39.27 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.958 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.01 -35.42 24.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -53.91 -38.55 60.31 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.528 1.142 . . . . 0.0 110.976 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 13' ' ' GLY . . . -85.33 -36.91 20.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 0.757 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.3 mt -44.59 -31.72 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.957 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -50.75 -27.81 7.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.297 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -130.77 -9.1 3.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -66.64 -30.09 75.79 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.535 1.147 . . . . 0.0 111.037 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.617 ' NE1' HD11 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -60.01 -25.08 65.01 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.977 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -47.47 -41.26 20.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.88 -24.59 76.91 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.418 ' N ' ' O ' ' A' ' 14' ' ' TRP . 0.4 OUTLIER -82.59 -8.81 59.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 0.734 . . . . 0.0 111.012 180.0 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.617 HD11 ' NE1' ' A' ' 14' ' ' TRP . 5.6 mt -71.87 -56.2 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.39 176.34 8.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.349 179.955 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 179.962 . . . . . . . . 0 0 . 1 stop_ save_