data_1k09_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 1k09 _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 5' ' ' ILE . . . . . 0.529 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.089 0.471 . . . . 0.0 110.047 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.449 ' HA ' HG21 ' A' ' 21' ' ' VAL . 21.7 mt -142.17 132.19 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.019 -1.051 . . . . 0.0 110.56 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.477 ' HB3' ' O ' ' A' ' 20' ' ' PHE . 9.0 tpm_? -154.67 88.52 1.2 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.31 -0.869 . . . . 0.0 109.777 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.583 ' C ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -131.94 -177.54 4.49 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.393 -0.817 . . . . 0.0 111.292 -179.436 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.501 ' O ' ' O ' ' A' ' 10' ' ' TYR . 23.6 m-85 -133.0 20.42 4.11 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.119 -0.988 . . . . 0.0 110.008 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.516 ' O ' ' CB ' ' A' ' 11' ' ' ASN . 8.4 t80 48.22 170.59 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.752 0 CA-C-O 121.867 0.841 . . . . 0.0 111.513 179.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.521 ' O ' ' O ' ' A' ' 12' ' ' ALA . 0.6 OUTLIER 162.35 67.24 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.521 ' O ' ' O ' ' A' ' 11' ' ' ASN . . . -44.13 -103.47 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.469 -0.769 . . . . 0.0 110.967 -179.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.52 ' O ' ' CB ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER 45.74 84.84 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.619 -1.301 . . . . 0.0 109.203 -179.371 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.52 ' CB ' ' O ' ' A' ' 13' ' ' LYS . 3.4 m-20 74.45 0.19 3.51 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.73 -0.606 . . . . 0.0 109.615 -178.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.15 48.63 2.39 Favored Glycine 0 N--CA 1.492 2.387 0 C-N-CA 119.828 -1.177 . . . . 0.0 110.514 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.491 ' HB3' ' O ' ' A' ' 11' ' ' ASN . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.673 0 O-C-N 121.055 -1.262 . . . . 0.0 109.592 179.142 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.476 ' O ' ' HB2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.192 0.52 . . . . 0.0 109.627 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.517 ' HA ' ' CB ' ' A' ' 8' ' ' TYR . 27.6 m -105.01 80.92 1.67 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.488 -0.758 . . . . 0.0 111.394 -178.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.583 ' CD1' ' HB3' ' B' ' 7' ' ' ARG . 51.2 t80 -89.76 85.62 6.47 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 178.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.567 ' HB ' ' CG2' ' B' ' 6' ' ' ILE . 78.9 t -89.85 157.7 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.172 -0.955 . . . . 0.0 111.469 -178.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.546 ' CD1' HG21 ' B' ' 5' ' ' ILE . 2.1 t80 -117.42 142.68 46.84 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.48 -0.762 . . . . 0.0 109.731 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.453 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . . . . . . 0 N--CA 1.49 2.278 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 17.0 tpt85 . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 121.286 0.565 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.58 ' CD1' ' N ' ' B' ' 5' ' ' ILE . 0.0 OUTLIER -121.28 116.67 50.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.287 -0.883 . . . . 0.0 110.201 179.772 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.575 HD11 ' CE2' ' B' ' 8' ' ' TYR . 0.1 OUTLIER -72.71 64.79 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.339 0 CA-C-O 122.683 1.23 . . . . 0.0 109.635 179.74 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' ARG . . . . . 0.633 ' N ' ' HD2' ' B' ' 7' ' ' ARG . 0.0 OUTLIER -56.05 91.92 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.047 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.846 179.175 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . 0.575 ' CE2' HD11 ' B' ' 6' ' ' ILE . 0.1 OUTLIER -91.12 172.78 8.32 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.771 -0.581 . . . . 0.0 110.273 179.823 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . 0.531 ' HB3' ' CB ' ' B' ' 18' ' ' GLN . 58.8 t80 -150.22 67.89 0.98 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.273 -0.892 . . . . 0.0 110.087 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' B' ' 9' ' ' PHE . 6.7 t80 -42.56 102.6 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.288 -0.883 . . . . 0.0 110.208 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . 0.474 ' HA ' HD11 ' A' ' 16' ' ' LEU . 38.8 t-20 . . . . . 0 N--CA 1.491 1.615 0 O-C-N 121.268 -0.895 . . . . 0.0 110.165 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.531 ' CB ' ' HB3' ' B' ' 9' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.253 0.549 . . . . 0.0 110.113 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.572 HG22 ' CD1' ' B' ' 8' ' ' TYR . 0.2 OUTLIER -162.53 117.25 1.81 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.355 -0.84 . . . . 0.0 109.898 179.893 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.623 ' N ' ' HD3' ' B' ' 7' ' ' ARG . 2.2 m-85 -89.63 97.68 11.33 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.183 -0.948 . . . . 0.0 110.138 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.578 ' CG2' ' NH1' ' B' ' 7' ' ' ARG . 97.7 t . . . . . 0 N--CA 1.492 1.673 0 O-C-N 120.767 -1.208 . . . . 0.0 110.561 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.518 ' O ' ' CG2' ' A' ' 5' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.231 0.538 . . . . 0.0 109.951 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.529 ' HA ' ' CG2' ' A' ' 21' ' ' VAL . 57.1 mt -83.48 160.22 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.307 -0.871 . . . . 0.0 110.526 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.457 ' NH1' ' CE1' ' A' ' 9' ' ' PHE . 0.0 OUTLIER 173.68 103.92 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.333 -0.854 . . . . 0.0 109.89 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.525 ' CB ' ' HA ' ' A' ' 19' ' ' THR . 49.7 p90 -127.33 179.23 5.57 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.171 -0.955 . . . . 0.0 110.526 -179.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.457 ' CE1' ' NH1' ' A' ' 7' ' ' ARG . 26.6 m-85 -128.44 111.82 13.72 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.371 -0.831 . . . . 0.0 109.955 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -69.42 139.45 54.05 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.256 -0.903 . . . . 0.0 110.446 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.455 ' HB3' ' OD1' ' A' ' 14' ' ' ASP . 55.1 m-80 -145.52 73.2 1.34 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.277 -0.889 . . . . 0.0 110.025 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.54 -35.36 63.14 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.325 -0.859 . . . . 0.0 110.367 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.95 -82.07 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.207 -0.933 . . . . 0.0 109.321 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.455 ' OD1' ' HB3' ' A' ' 11' ' ' ASN . 39.8 p-10 -75.44 -0.93 21.73 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.323 -0.861 . . . . 0.0 109.356 179.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 11' ' ' ASN . . . 61.39 34.89 89.93 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.445 ' CD1' ' HA ' ' B' ' 11' ' ' ASN . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.279 -1.13 . . . . 0.0 110.216 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.6 ' CG ' ' CD1' ' B' ' 9' ' ' PHE . 1.5 tm0? . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.169 0.509 . . . . 0.0 110.206 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.525 ' HA ' ' CB ' ' A' ' 8' ' ' TYR . 49.3 m -133.43 151.47 51.8 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.263 -0.898 . . . . 0.0 110.242 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.486 ' HA ' ' HB2' ' B' ' 7' ' ' ARG . 0.4 OUTLIER -149.74 98.99 2.82 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.327 -0.858 . . . . 0.0 110.289 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.529 ' CG2' ' HA ' ' A' ' 6' ' ' ILE . 64.6 t -98.01 -79.31 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.266 -0.896 . . . . 0.0 110.075 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.585 ' CZ ' ' CG2' ' B' ' 5' ' ' ILE . 1.0 OUTLIER 69.56 116.75 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.442 -0.786 . . . . 0.0 110.354 179.75 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.254 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.257 0.551 . . . . 0.0 110.407 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.585 ' CG2' ' CZ ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -112.6 173.54 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.258 -0.901 . . . . 0.0 109.165 179.649 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.469 ' HA ' ' O ' ' B' ' 20' ' ' PHE . 12.3 tt -170.46 140.72 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.031 -1.043 . . . . 0.0 110.647 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' ARG . . . . . 0.613 ' CG ' ' CZ ' ' B' ' 20' ' ' PHE . 0.0 OUTLIER -172.23 147.71 2.04 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.335 -0.853 . . . . 0.0 110.107 179.634 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . 0.482 ' HA ' ' O ' ' B' ' 18' ' ' GLN . 0.7 OUTLIER -115.87 116.59 28.26 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.718 -0.614 . . . . 0.0 109.365 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . 0.6 ' CD1' ' CG ' ' A' ' 18' ' ' GLN . 5.7 t80 -150.53 100.59 2.87 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.917 -1.114 . . . . 0.0 111.089 -179.294 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . 0.468 ' O ' ' HB2' ' B' ' 11' ' ' ASN . 10.7 t80 -114.76 -86.36 0.6 Allowed 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.028 -1.045 . . . . 0.0 109.92 178.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . 0.468 ' HB2' ' O ' ' B' ' 10' ' ' TYR . 9.0 t30 . . . . . 0 N--CA 1.491 1.623 0 O-C-N 121.513 -0.742 . . . . 0.0 110.021 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.516 ' CB ' ' O ' ' B' ' 9' ' ' PHE . 22.3 tt0 . . . . . 0 N--CA 1.503 2.199 0 CA-C-O 121.344 0.593 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.523 ' HA ' ' O ' ' B' ' 7' ' ' ARG . 18.6 m -97.21 110.04 22.67 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.413 -0.804 . . . . 0.0 111.128 -178.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.613 ' CZ ' ' CG ' ' B' ' 7' ' ' ARG . 38.9 p90 -133.64 128.3 34.79 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.172 -0.955 . . . . 0.0 110.121 178.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.45 HG12 HD12 ' B' ' 6' ' ' ILE . 1.4 t . . . . . 0 N--CA 1.495 1.784 0 O-C-N 121.376 -0.827 . . . . 0.0 110.336 -179.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.8 mp . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 121.296 0.57 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.522 ' CD1' HG21 ' A' ' 21' ' ' VAL . 0.5 OUTLIER -143.75 107.35 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.285 -0.885 . . . . 0.0 110.098 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.49 140.99 52.01 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.275 -0.89 . . . . 0.0 110.244 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.443 ' O ' ' CD1' ' A' ' 9' ' ' PHE . 0.3 OUTLIER -119.92 142.3 48.84 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.3 -0.875 . . . . 0.0 110.256 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.443 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 43.4 m-85 -143.28 104.21 4.23 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.306 -0.871 . . . . 0.0 110.143 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -56.38 139.33 49.07 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.207 -0.933 . . . . 0.0 110.235 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.467 ' O ' ' O ' ' A' ' 12' ' ' ALA . 9.9 t30 -150.46 93.62 2.0 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.302 -0.874 . . . . 0.0 110.038 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.467 ' O ' ' O ' ' A' ' 11' ' ' ASN . . . -58.22 -116.93 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.327 -0.858 . . . . 0.0 110.142 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER 51.53 80.52 0.08 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.811 -1.18 . . . . 0.0 109.349 -179.678 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.458 ' CB ' ' O ' ' A' ' 13' ' ' LYS . 4.9 t70 67.78 8.03 6.13 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.333 -0.855 . . . . 0.0 109.409 -178.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 71.3 94.07 0.07 OUTLIER Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.606 -1.398 . . . . 0.0 109.606 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 tp . . . . . 0 N--CA 1.49 1.561 0 O-C-N 121.255 -1.144 . . . . 0.0 110.199 179.943 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.458 ' HG2' ' CE2' ' B' ' 9' ' ' PHE . 15.6 mt-30 . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.178 0.513 . . . . 0.0 110.214 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.424 ' O ' ' HB2' ' B' ' 8' ' ' TYR . 49.4 m -131.08 121.96 25.9 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.303 -0.873 . . . . 0.0 110.188 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -118.32 134.86 54.68 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.327 -0.858 . . . . 0.0 110.244 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.522 HG21 ' CD1' ' A' ' 6' ' ' ILE . 16.5 t -126.7 145.62 33.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.22 -0.925 . . . . 0.0 110.153 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.483 ' HA ' ' HA ' ' B' ' 5' ' ' ILE . 28.1 p90 -138.83 122.7 17.71 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.184 -0.948 . . . . 0.0 110.125 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.3 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 -179.927 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.244 0.545 . . . . 0.0 110.586 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.508 ' CG2' ' O ' ' A' ' 21' ' ' VAL . 92.1 mt -90.66 150.23 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.09 -1.007 . . . . 0.0 110.212 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.445 ' N ' HG21 ' B' ' 5' ' ' ILE . 76.9 mt -131.29 118.97 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.24 -0.912 . . . . 0.0 110.225 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' ARG . . . . . 0.474 ' HB2' ' HB2' ' B' ' 20' ' ' PHE . 3.6 mtm180 -74.07 155.34 38.61 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.254 -0.904 . . . . 0.0 110.15 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . 0.554 ' O ' ' CD1' ' B' ' 9' ' ' PHE . 2.5 m-85 -149.0 158.31 44.09 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.379 -0.826 . . . . 0.0 110.193 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . 0.554 ' CD1' ' O ' ' B' ' 8' ' ' TYR . 8.5 m-85 -146.6 79.84 1.54 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.195 -0.941 . . . . 0.0 110.255 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -50.46 107.51 0.17 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.226 -0.922 . . . . 0.0 110.234 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 . . . . . 0 N--CA 1.491 1.578 0 O-C-N 121.28 -0.888 . . . . 0.0 110.145 179.884 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.488 ' HB3' ' CZ ' ' B' ' 20' ' ' PHE . 9.3 mt-30 . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.184 0.516 . . . . 0.0 109.936 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.57 ' O ' ' CD1' ' B' ' 20' ' ' PHE . 5.5 t -105.1 150.74 24.76 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.166 -0.959 . . . . 0.0 110.424 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.57 ' CD1' ' O ' ' B' ' 19' ' ' THR . 6.5 m-85 -134.67 -161.6 1.16 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.21 -0.932 . . . . 0.0 110.188 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 32.9 m . . . . . 0 N--CA 1.491 1.587 0 O-C-N 121.298 -0.876 . . . . 0.0 110.373 -179.946 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.404 ' O ' HG12 ' A' ' 21' ' ' VAL . 44.6 mt . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.275 0.559 . . . . 0.0 110.172 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.8 mt -76.37 100.75 2.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.309 -0.87 . . . . 0.0 110.183 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 20' ' ' PHE . 0.8 OUTLIER -117.5 133.45 55.95 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.301 -0.874 . . . . 0.0 110.2 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.55 ' O ' ' CD1' ' A' ' 9' ' ' PHE . 27.1 p90 -144.1 -172.55 3.79 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.211 -0.931 . . . . 0.0 110.253 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.55 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 43.9 m-85 -148.56 -164.78 2.1 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.313 -0.867 . . . . 0.0 110.162 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -142.49 110.47 5.92 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.242 -0.911 . . . . 0.0 110.259 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -99.4 80.89 2.46 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.266 -0.896 . . . . 0.0 110.158 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.25 -27.03 69.07 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.258 -0.901 . . . . 0.0 110.216 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.77 -80.33 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.238 -0.914 . . . . 0.0 109.329 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.53 -2.89 24.58 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.33 -0.857 . . . . 0.0 109.445 178.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.45 56.16 23.26 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.42 ' CD1' ' HB2' ' B' ' 11' ' ' ASN . 5.8 tp . . . . . 0 N--CA 1.492 1.641 0 O-C-N 121.328 -1.101 . . . . 0.0 110.241 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.476 ' HG2' ' CZ ' ' B' ' 9' ' ' PHE . 3.7 mt-30 . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 121.221 0.534 . . . . 0.0 110.215 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.484 ' HA ' ' CB ' ' A' ' 8' ' ' TYR . 43.4 m -122.17 96.56 5.1 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.238 -0.914 . . . . 0.0 110.208 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.407 ' O ' ' O ' ' A' ' 7' ' ' ARG . 52.8 t80 -101.3 118.96 38.02 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.282 -0.886 . . . . 0.0 110.198 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.404 HG12 ' O ' ' A' ' 5' ' ' ILE . 30.9 t -111.81 168.74 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.344 -0.848 . . . . 0.0 110.299 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -140.04 113.26 8.35 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.229 -0.92 . . . . 0.0 110.198 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 -179.944 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.265 0.555 . . . . 0.0 110.177 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 12.2 mt -136.63 99.77 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.265 -0.897 . . . . 0.0 110.204 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.448 ' CG2' ' CE1' ' B' ' 8' ' ' TYR . 34.0 mt -71.17 117.63 14.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.31 -0.869 . . . . 0.0 110.202 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.23 120.94 37.44 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.252 -0.905 . . . . 0.0 110.171 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . 0.448 ' CE1' ' CG2' ' B' ' 6' ' ' ILE . 1.9 m-85 -113.73 165.89 12.09 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.352 -0.842 . . . . 0.0 110.127 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . 0.476 ' CZ ' ' HG2' ' A' ' 18' ' ' GLN . 0.2 OUTLIER -149.51 135.23 18.63 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.209 -0.932 . . . . 0.0 110.327 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . 0.434 ' CG ' ' O ' ' B' ' 10' ' ' TYR . 28.3 t80 -114.87 38.09 3.26 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.247 -0.908 . . . . 0.0 110.251 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . 0.42 ' HB2' ' CD1' ' A' ' 16' ' ' LEU . 12.3 p30 . . . . . 0 N--CA 1.491 1.595 0 O-C-N 121.286 -0.884 . . . . 0.0 110.234 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.268 0.556 . . . . 0.0 110.257 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -146.33 154.3 41.51 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.282 -0.886 . . . . 0.0 110.199 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -123.11 175.46 6.62 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.306 -0.871 . . . . 0.0 110.217 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 40.3 t . . . . . 0 N--CA 1.49 1.563 0 O-C-N 121.268 -0.895 . . . . 0.0 110.208 179.93 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.435 ' O ' HG13 ' A' ' 5' ' ' ILE . 1.1 pt . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 121.215 0.531 . . . . 0.0 110.353 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.466 HG12 HG22 ' A' ' 21' ' ' VAL . 57.6 mt -43.55 150.67 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.322 -0.862 . . . . 0.0 109.728 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.435 ' HA ' ' HD2' ' A' ' 7' ' ' ARG . 3.0 tpt180 -163.15 110.48 1.21 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.109 -0.994 . . . . 0.0 110.588 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.56 ' CB ' ' O ' ' A' ' 18' ' ' GLN . 3.3 p90 -114.53 161.95 17.35 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.396 -0.815 . . . . 0.0 109.385 179.206 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.619 ' CE2' ' HB3' ' A' ' 18' ' ' GLN . 1.5 p90 -111.26 33.56 4.59 Favored 'General case' 0 N--CA 1.496 1.847 0 C-N-CA 118.339 -1.344 . . . . 0.0 110.951 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.579 ' C ' ' O ' ' A' ' 9' ' ' PHE . 24.0 t80 1.05 -94.85 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.341 0 CA-C-O 121.346 0.594 . . . . 0.0 112.254 179.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.492 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 80.4 m-20 56.46 85.75 0.07 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.245 -0.91 . . . . 0.0 110.26 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.544 ' HB1' ' CZ ' ' A' ' 10' ' ' TYR . . . -74.43 -10.28 59.41 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.178 -0.951 . . . . 0.0 110.12 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.7 mttm -53.27 -75.02 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.225 -0.922 . . . . 0.0 109.459 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -72.32 -4.2 28.36 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.39 -0.818 . . . . 0.0 109.488 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.49 70.83 1.28 Allowed Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.525 ' CD1' ' HB2' ' B' ' 11' ' ' ASN . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.634 0 O-C-N 121.359 -1.083 . . . . 0.0 110.113 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.619 ' HB3' ' CE2' ' A' ' 9' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.047 0.451 . . . . 0.0 110.363 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.488 ' HA ' ' HB3' ' A' ' 8' ' ' TYR . 10.9 m -115.23 94.7 4.84 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 121.173 0.511 . . . . 0.0 109.872 179.519 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -95.53 125.6 40.24 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.311 -0.868 . . . . 0.0 110.337 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.466 HG22 HG12 ' A' ' 6' ' ' ILE . 4.4 t -136.03 101.17 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.214 -0.929 . . . . 0.0 110.207 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.576 ' CG ' HG21 ' B' ' 5' ' ' ILE . 1.8 t80 -106.09 66.46 0.72 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.191 -0.943 . . . . 0.0 110.526 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.428 ' O ' ' HG2' ' B' ' 4' ' ' ARG . . . . . . . . 0 N--CA 1.491 2.361 0 N-CA-C 109.969 -1.252 . . . . 0.0 109.969 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . 0.477 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 3.2 tpt180 . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.281 0.562 . . . . 0.0 109.777 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.576 HG21 ' CG ' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -128.29 53.46 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.692 -0.63 . . . . 0.0 110.732 -179.743 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.52 HD12 ' CB ' ' B' ' 21' ' ' VAL . 1.0 OUTLIER -49.62 118.22 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.02 -1.05 . . . . 0.0 109.473 179.484 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' ARG . . . . . 0.564 ' HD3' ' CE1' ' B' ' 20' ' ' PHE . 0.0 OUTLIER -127.9 153.85 46.19 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.247 -0.908 . . . . 0.0 110.489 -179.617 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . 0.505 ' CE2' HG12 ' B' ' 6' ' ' ILE . 94.9 m-85 -135.14 74.37 1.52 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.538 -0.726 . . . . 0.0 110.18 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . 0.555 ' CB ' ' HG3' ' A' ' 18' ' ' GLN . 5.6 t80 -89.92 127.78 36.09 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.167 -0.958 . . . . 0.0 110.434 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . 0.464 ' O ' ' O ' ' B' ' 11' ' ' ASN . 35.6 t80 -152.24 52.98 0.8 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.279 -0.888 . . . . 0.0 110.098 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . 0.525 ' HB2' ' CD1' ' A' ' 16' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.656 0 O-C-N 121.334 -0.854 . . . . 0.0 110.243 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.567 ' HG2' ' CE2' ' B' ' 20' ' ' PHE . 4.0 tt0 . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.315 0.579 . . . . 0.0 110.373 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.479 ' HA ' ' O ' ' B' ' 7' ' ' ARG . 23.4 m -111.36 85.77 2.19 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.265 -0.897 . . . . 0.0 109.61 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.567 ' CE2' ' HG2' ' B' ' 18' ' ' GLN . 4.6 p90 -150.41 162.73 40.0 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.095 -1.003 . . . . 0.0 111.06 -179.041 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.52 ' CB ' HD12 ' B' ' 6' ' ' ILE . 8.0 p . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.603 -0.686 . . . . 0.0 109.748 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 121.177 0.513 . . . . 0.0 110.229 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.409 HG23 ' CD1' ' A' ' 8' ' ' TYR . 17.8 mt -98.62 77.8 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.283 -0.885 . . . . 0.0 110.217 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -93.76 102.0 14.13 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.209 -0.932 . . . . 0.0 110.136 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.533 ' O ' ' CD1' ' A' ' 9' ' ' PHE . 31.1 p90 -134.52 177.16 7.99 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.224 -0.922 . . . . 0.0 110.23 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.533 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 11.8 m-85 -134.08 72.72 1.47 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.279 -0.888 . . . . 0.0 110.108 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -50.72 147.47 4.76 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.218 -0.926 . . . . 0.0 110.3 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -164.81 76.49 0.3 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.294 -0.879 . . . . 0.0 110.059 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.58 -31.71 64.51 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.315 -0.866 . . . . 0.0 110.172 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.82 -71.6 0.06 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.175 -0.953 . . . . 0.0 109.238 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.21 -2.44 48.71 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.442 -0.786 . . . . 0.0 109.305 178.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.476 ' O ' ' O ' ' B' ' 11' ' ' ASN . . . 69.96 12.66 68.48 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.474 ' HA ' ' O ' ' B' ' 11' ' ' ASN . 1.6 tt . . . . . 0 N--CA 1.492 1.662 0 O-C-N 121.293 -1.122 . . . . 0.0 110.141 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.249 0.547 . . . . 0.0 110.124 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.451 ' HB ' ' O ' ' B' ' 8' ' ' TYR . 17.1 m -102.32 89.89 3.72 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.165 -0.96 . . . . 0.0 110.292 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.624 ' CE2' ' NH1' ' B' ' 7' ' ' ARG . 1.9 t80 -94.23 121.17 35.47 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.281 -0.887 . . . . 0.0 110.16 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.445 ' HB ' HG21 ' B' ' 6' ' ' ILE . 19.8 t -116.58 161.97 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.269 -0.895 . . . . 0.0 110.403 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -167.07 177.3 6.34 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.253 -0.905 . . . . 0.0 110.234 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.221 0 N-CA-C 109.476 -1.449 . . . . 0.0 109.476 179.907 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.576 0.703 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 9.9 tt -144.03 76.38 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 O-C-N 121.508 -0.745 . . . . 0.0 110.282 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.574 HG12 ' CE1' ' B' ' 8' ' ' TYR . 7.4 tt -110.24 174.07 2.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.302 -0.874 . . . . 0.0 110.112 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' ARG . . . . . 0.624 ' NH1' ' CE2' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -165.92 113.11 0.91 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.237 -0.914 . . . . 0.0 110.508 -179.9 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . 0.609 ' CE2' ' CG2' ' B' ' 19' ' ' THR . 91.3 m-85 -101.33 123.92 46.2 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.422 -0.799 . . . . 0.0 109.9 179.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . 0.53 ' O ' ' CB ' ' B' ' 18' ' ' GLN . 11.8 t80 -150.58 94.1 2.05 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.022 -1.049 . . . . 0.0 110.916 -179.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . 0.597 ' CG ' ' N ' ' B' ' 11' ' ' ASN . 1.3 t80 -76.04 -87.33 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.952 -1.092 . . . . 0.0 109.704 179.251 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . 0.597 ' N ' ' CG ' ' B' ' 10' ' ' TYR . 4.3 t-20 . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.53 ' CB ' ' O ' ' B' ' 9' ' ' PHE . 1.7 tt0 . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.609 ' CG2' ' CE2' ' B' ' 8' ' ' TYR . 36.3 m -103.24 143.58 32.45 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.418 -0.801 . . . . 0.0 110.467 -179.461 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.451 ' O ' HG13 ' B' ' 6' ' ' ILE . 13.0 m-30 -103.27 123.32 46.55 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.358 -0.839 . . . . 0.0 110.073 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 38.5 t . . . . . 0 N--CA 1.491 1.618 0 O-C-N 121.198 -0.939 . . . . 0.0 110.2 -179.789 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.531 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 5.8 mt . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 121.197 0.522 . . . . 0.0 110.221 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.427 ' C ' ' HG3' ' A' ' 7' ' ' ARG . 15.2 mm -143.89 115.47 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.197 -0.939 . . . . 0.0 110.297 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.427 ' HG3' ' C ' ' A' ' 6' ' ' ILE . 1.4 mtp-105 -129.68 111.28 12.51 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.254 -0.904 . . . . 0.0 110.156 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.528 ' CB ' ' HA ' ' A' ' 19' ' ' THR . 52.9 p90 -130.57 176.64 8.0 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.218 -0.926 . . . . 0.0 110.319 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.466 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 30.6 m-85 -146.3 89.53 1.87 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.307 -0.871 . . . . 0.0 110.184 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.426 ' C ' ' O ' ' A' ' 9' ' ' PHE . 33.6 t80 -42.42 106.86 0.07 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.312 -0.868 . . . . 0.0 110.351 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.418 ' HB3' ' OD1' ' A' ' 14' ' ' ASP . 1.0 OUTLIER -106.11 96.23 6.33 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.256 -0.903 . . . . 0.0 110.144 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.97 -26.7 59.78 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.166 -0.959 . . . . 0.0 110.243 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -50.85 -75.54 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.231 -0.918 . . . . 0.0 109.372 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 31.5 p-10 -78.44 0.52 25.5 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.4 -0.813 . . . . 0.0 109.476 178.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.489 ' O ' ' CD2' ' A' ' 16' ' ' LEU . . . 57.97 62.18 6.59 Favored Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.367 -1.493 . . . . 0.0 109.367 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.627 ' CD1' ' CZ ' ' B' ' 9' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.29 -1.124 . . . . 0.0 110.111 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.481 ' N ' ' O ' ' A' ' 16' ' ' LEU . 1.6 tt0 . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.214 0.53 . . . . 0.0 110.544 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.528 ' HA ' ' CB ' ' A' ' 8' ' ' TYR . 17.3 m -116.59 90.46 3.34 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.309 -0.869 . . . . 0.0 109.812 179.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.57 ' CD2' ' HD2' ' B' ' 7' ' ' ARG . 0.2 OUTLIER -89.53 124.28 34.38 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.32 -0.862 . . . . 0.0 110.387 -179.663 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.531 ' CG2' ' O ' ' A' ' 5' ' ' ILE . 1.9 p -121.6 158.95 24.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.288 -0.882 . . . . 0.0 110.262 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.459 ' HA ' ' HA ' ' B' ' 5' ' ' ILE . 19.6 t80 -114.18 112.65 23.52 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.25 -0.906 . . . . 0.0 110.027 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.201 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 -179.849 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.236 0.541 . . . . 0.0 110.226 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.459 ' HA ' ' HA ' ' A' ' 22' ' ' TYR . 15.2 mt -82.61 86.66 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.138 -0.976 . . . . 0.0 110.113 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.519 ' CG2' HG13 ' A' ' 21' ' ' VAL . 2.0 tt -54.01 133.46 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.174 -0.954 . . . . 0.0 110.091 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' ARG . . . . . 0.57 ' HD2' ' CD2' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -102.32 96.73 7.15 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.164 -0.96 . . . . 0.0 110.273 -179.812 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . 0.557 ' CE2' HG23 ' B' ' 19' ' ' THR . 0.3 OUTLIER -80.11 63.41 4.6 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.249 -0.907 . . . . 0.0 110.129 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . 0.627 ' CZ ' ' CD1' ' A' ' 16' ' ' LEU . 78.7 t80 -89.96 118.7 29.73 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.254 -0.904 . . . . 0.0 109.941 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . 0.575 ' CE1' ' O ' ' B' ' 11' ' ' ASN . 7.5 t80 -124.38 146.61 48.76 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.261 -0.9 . . . . 0.0 110.535 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . 0.575 ' O ' ' CE1' ' B' ' 10' ' ' TYR . 12.3 t-20 . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.389 -0.819 . . . . 0.0 109.613 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.519 ' CB ' ' O ' ' B' ' 9' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.294 0.569 . . . . 0.0 110.144 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.557 HG23 ' CE2' ' B' ' 8' ' ' TYR . 21.5 p -105.8 125.34 50.88 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.19 -0.944 . . . . 0.0 110.239 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.516 ' CZ ' ' HG2' ' B' ' 7' ' ' ARG . 35.2 p90 -150.12 154.64 38.41 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.267 -0.896 . . . . 0.0 110.308 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.494 ' CG1' ' HA ' ' B' ' 6' ' ' ILE . 4.2 m . . . . . 0 N--CA 1.493 1.693 0 O-C-N 121.321 -0.862 . . . . 0.0 110.107 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.502 ' O ' ' N ' ' A' ' 7' ' ' ARG . 6.8 tt . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.291 0.567 . . . . 0.0 110.221 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.461 ' HA ' HG11 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -56.7 84.31 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.255 -0.903 . . . . 0.0 110.283 -179.858 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.503 ' CB ' ' O ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -75.19 81.95 2.34 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.246 -0.909 . . . . 0.0 109.963 179.758 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.558 ' CZ ' HG22 ' A' ' 19' ' ' THR . 6.8 m-85 -96.98 125.77 41.64 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.244 -0.91 . . . . 0.0 110.51 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.523 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 17.5 m-85 -141.97 125.91 17.19 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.288 -0.882 . . . . 0.0 109.785 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.442 ' HA ' ' O ' ' A' ' 16' ' ' LEU . 11.9 t80 -120.71 148.87 43.36 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.179 -0.951 . . . . 0.0 110.731 -179.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.47 ' O ' ' N ' ' A' ' 15' ' ' GLY . 48.2 t-20 -137.07 90.23 2.51 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.451 -0.781 . . . . 0.0 109.882 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.55 -36.79 36.15 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.34 -0.85 . . . . 0.0 110.338 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.507 ' CE ' ' HA ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -49.11 -80.65 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.158 -0.964 . . . . 0.0 109.371 179.783 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -74.69 -2.0 24.33 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.356 -0.84 . . . . 0.0 109.362 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 11' ' ' ASN . . . 60.21 71.11 0.83 Allowed Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.442 ' O ' ' HA ' ' A' ' 10' ' ' TYR . 1.5 tt . . . . . 0 N--CA 1.492 1.643 0 O-C-N 121.233 -1.157 . . . . 0.0 110.293 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.442 ' OE1' ' O ' ' A' ' 7' ' ' ARG . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.108 0.48 . . . . 0.0 110.021 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.558 HG22 ' CZ ' ' A' ' 8' ' ' TYR . 20.2 m -147.42 64.96 1.14 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.274 -0.891 . . . . 0.0 110.349 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.559 ' CD1' ' HG2' ' B' ' 7' ' ' ARG . 14.5 m-30 -90.89 151.67 21.04 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.279 -0.888 . . . . 0.0 110.055 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.581 ' CG2' ' CG1' ' B' ' 6' ' ' ILE . 13.0 m -143.03 -162.74 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.15 -0.968 . . . . 0.0 110.413 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.429 ' HB2' ' O ' ' A' ' 21' ' ' VAL . 3.3 t80 -176.59 94.57 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.233 -0.917 . . . . 0.0 110.15 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' B' ' 4' ' ' ARG . . . . . . . . 0 N--CA 1.491 2.339 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . 0.448 ' O ' ' O ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.252 0.549 . . . . 0.0 110.191 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.493 ' C ' ' CD1' ' B' ' 5' ' ' ILE . 0.0 OUTLIER -154.5 137.24 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.289 -0.882 . . . . 0.0 110.272 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.581 ' CG1' ' CG2' ' A' ' 21' ' ' VAL . 34.1 pt -123.56 151.01 27.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.327 -0.858 . . . . 0.0 110.017 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' ARG . . . . . 0.559 ' HG2' ' CD1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -113.27 73.35 0.81 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.278 -0.889 . . . . 0.0 110.411 -179.902 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . 0.464 ' HB2' ' O ' ' A' ' 19' ' ' THR . 1.0 OUTLIER -64.93 142.94 58.26 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.135 -0.978 . . . . 0.0 109.972 179.716 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . 0.506 ' HB3' ' CB ' ' B' ' 18' ' ' GLN . 0.2 OUTLIER -143.92 91.17 2.2 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.129 -0.982 . . . . 0.0 110.334 -179.778 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . 0.474 ' O ' ' O ' ' B' ' 11' ' ' ASN . 30.2 t80 -54.68 -72.34 0.07 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.24 -0.912 . . . . 0.0 110.338 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . 0.509 ' ND2' ' OE1' ' B' ' 18' ' ' GLN . 2.1 p30 . . . . . 0 N--CA 1.494 1.736 0 O-C-N 121.433 -0.792 . . . . 0.0 110.44 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.509 ' OE1' ' ND2' ' B' ' 11' ' ' ASN . 17.7 mt-30 . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 121.307 0.575 . . . . 0.0 110.182 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.477 ' C ' ' CD1' ' B' ' 20' ' ' PHE . 85.9 m -104.0 135.93 44.59 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.219 -0.926 . . . . 0.0 110.286 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.477 ' CD1' ' C ' ' B' ' 19' ' ' THR . 3.5 m-85 -120.69 90.49 3.33 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.232 -0.917 . . . . 0.0 110.045 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.444 ' O ' HG21 ' B' ' 21' ' ' VAL . 14.6 m . . . . . 0 N--CA 1.491 1.578 0 O-C-N 121.26 -0.9 . . . . 0.0 110.372 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.511 ' O ' ' N ' ' A' ' 7' ' ' ARG . 22.5 mt . . . . . 0 N--CA 1.494 1.74 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.485 ' HA ' ' HA ' ' A' ' 21' ' ' VAL . 2.5 mt -40.05 94.24 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.329 -0.857 . . . . 0.0 110.51 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.638 ' CB ' ' CE2' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -125.29 135.47 52.53 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.302 -0.874 . . . . 0.0 110.177 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.612 ' CZ ' ' CG2' ' A' ' 19' ' ' THR . 9.6 m-85 -126.14 110.02 13.02 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.422 -0.799 . . . . 0.0 110.293 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.529 ' CD1' ' N ' ' A' ' 9' ' ' PHE . 14.7 m-85 -128.05 92.67 3.5 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.237 -0.915 . . . . 0.0 109.818 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.424 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 8.9 t80 -97.46 85.33 3.61 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.269 -0.894 . . . . 0.0 110.612 -179.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.504 ' ND2' ' OD1' ' A' ' 14' ' ' ASP . 23.1 p30 -68.23 115.4 7.64 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.255 -0.903 . . . . 0.0 109.516 179.413 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.46 -23.5 66.28 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.288 -0.883 . . . . 0.0 110.302 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.85 -72.78 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.156 -0.965 . . . . 0.0 109.112 179.55 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.504 ' OD1' ' ND2' ' A' ' 11' ' ' ASN . 17.0 p-10 -87.67 0.28 55.9 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.4 -0.813 . . . . 0.0 109.165 178.626 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.22 67.09 2.31 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.476 ' HB3' ' OD1' ' A' ' 11' ' ' ASN . 20.2 tp . . . . . 0 N--CA 1.493 1.703 0 O-C-N 121.123 -1.222 . . . . 0.0 110.364 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.517 ' HA ' ' CB ' ' B' ' 9' ' ' PHE . 18.7 tt0 . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.363 0.601 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.612 ' CG2' ' CZ ' ' A' ' 8' ' ' TYR . 1.2 m -115.76 101.31 8.7 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.443 -0.786 . . . . 0.0 109.835 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.638 ' CE2' ' CB ' ' A' ' 7' ' ' ARG . 2.5 p90 -116.53 117.85 31.01 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.957 -1.089 . . . . 0.0 109.75 179.617 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.601 ' O ' ' CD1' ' A' ' 22' ' ' TYR . 15.7 m -113.52 91.3 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.286 -0.884 . . . . 0.0 110.525 -179.115 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.615 ' HB3' ' CA ' ' B' ' 5' ' ' ILE . 0.4 OUTLIER 159.75 92.27 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -179.854 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.277 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 -179.187 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . 0.6 ' HB2' ' CD2' ' A' ' 22' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 121.227 0.537 . . . . 0.0 110.312 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.615 ' CA ' ' HB3' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -143.19 124.73 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.262 -0.899 . . . . 0.0 110.582 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.536 ' CG2' ' O ' ' B' ' 6' ' ' ILE . 2.3 tt -153.02 119.07 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.18 -0.95 . . . . 0.0 110.063 179.532 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' ARG . . . . . 0.517 ' HB2' ' CD2' ' B' ' 20' ' ' PHE . 2.6 mmm180 -100.69 102.5 13.62 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.415 -0.803 . . . . 0.0 110.866 -179.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . 0.583 ' CE1' ' OG1' ' B' ' 19' ' ' THR . 0.2 OUTLIER -102.95 100.47 10.43 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.449 -0.782 . . . . 0.0 109.181 179.246 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . 0.517 ' CB ' ' HA ' ' A' ' 18' ' ' GLN . 11.2 p90 -142.25 159.3 42.51 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.684 -1.26 . . . . 0.0 111.881 -178.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . 0.468 ' O ' ' HB3' ' B' ' 11' ' ' ASN . 8.6 t80 -124.11 -176.0 3.38 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . 0.468 ' HB3' ' O ' ' B' ' 10' ' ' TYR . 0.9 OUTLIER . . . . . 0 N--CA 1.493 1.694 0 O-C-N 120.991 -1.068 . . . . 0.0 110.726 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.455 ' OE1' ' HA ' ' B' ' 18' ' ' GLN . 1.2 tp-100 . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.516 0.674 . . . . 0.0 110.437 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.583 ' OG1' ' CE1' ' B' ' 8' ' ' TYR . 16.2 m -138.43 114.68 10.28 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.441 -0.787 . . . . 0.0 109.795 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.517 ' CD2' ' HB2' ' B' ' 7' ' ' ARG . 5.8 m-85 -89.79 134.3 34.26 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.241 -0.912 . . . . 0.0 110.5 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 N--CA 1.492 1.634 0 O-C-N 121.318 -0.864 . . . . 0.0 110.107 -179.961 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 20.4 tt . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 121.193 0.52 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.533 ' HA ' ' CG2' ' A' ' 21' ' ' VAL . 77.9 mt -136.42 72.84 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.28 -0.888 . . . . 0.0 110.364 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.577 ' HG2' ' CE2' ' A' ' 9' ' ' PHE . 38.5 ttt-85 -59.22 81.52 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.154 -0.966 . . . . 0.0 109.954 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.577 ' O ' ' CD1' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -116.97 148.71 41.18 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.189 -0.944 . . . . 0.0 109.942 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.577 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 43.1 m-85 -143.28 53.81 1.35 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.16 -0.962 . . . . 0.0 110.926 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.578 ' CZ ' ' OD1' ' A' ' 11' ' ' ASN . 24.1 t80 58.97 175.43 0.07 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.234 -0.916 . . . . 0.0 111.003 179.141 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.617 ' O ' ' N ' ' A' ' 15' ' ' GLY . 20.1 p-10 -90.89 -33.55 15.59 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.586 -0.697 . . . . 0.0 112.062 -178.095 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.514 ' C ' ' O ' ' A' ' 11' ' ' ASN . . . -29.2 -51.02 0.1 Allowed 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.753 -0.592 . . . . 0.0 111.955 -178.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.418 ' HE2' ' NE2' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -44.06 -85.2 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.029 -1.044 . . . . 0.0 110.17 -179.831 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.521 ' O ' ' CD2' ' A' ' 16' ' ' LEU . 1.8 m-20 -85.28 7.12 23.37 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.381 -0.825 . . . . 0.0 109.509 179.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.617 ' N ' ' O ' ' A' ' 11' ' ' ASN . . . 88.46 -18.85 39.52 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.899 -1.28 . . . . 0.0 109.899 -179.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.594 ' CD1' ' CE1' ' B' ' 9' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.498 1.948 0 O-C-N 121.071 -1.252 . . . . 0.0 110.261 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.474 ' O ' ' HB2' ' A' ' 8' ' ' TYR . 1.9 mt-30 . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.079 0.466 . . . . 0.0 110.032 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.481 HG22 ' CB ' ' B' ' 8' ' ' TYR . 17.4 m -152.7 91.17 1.53 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.3 -0.875 . . . . 0.0 110.359 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.56 ' CD1' ' HD3' ' B' ' 7' ' ' ARG . 5.4 t80 -89.67 126.39 35.62 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.278 -0.889 . . . . 0.0 110.086 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.533 ' CG2' ' HA ' ' A' ' 6' ' ' ILE . 75.6 t -139.15 159.22 29.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.216 -0.927 . . . . 0.0 110.512 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.609 ' CG ' ' O ' ' A' ' 22' ' ' TYR . 3.3 p90 -155.44 110.34 2.97 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.247 -0.908 . . . . 0.0 109.956 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.461 ' O ' ' HB2' ' B' ' 4' ' ' ARG . . . . . . . . 0 N--CA 1.49 2.263 0 N-CA-C 109.667 -1.373 . . . . 0.0 109.667 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . 0.482 ' CD ' ' N ' ' B' ' 4' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.786 0 CA-C-O 121.331 0.586 . . . . 0.0 110.058 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.455 HD12 HG22 ' B' ' 5' ' ' ILE . 3.6 tt -112.77 116.69 53.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.315 -0.866 . . . . 0.0 110.057 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.455 ' O ' ' O ' ' A' ' 21' ' ' VAL . 84.4 mt -116.75 125.4 73.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.157 -0.965 . . . . 0.0 110.476 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' ARG . . . . . 0.56 ' HD3' ' CD1' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -88.04 105.14 17.28 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.25 -0.906 . . . . 0.0 110.071 179.758 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . 0.481 ' CB ' HG22 ' A' ' 19' ' ' THR . 1.7 m-85 -80.31 120.23 24.09 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.204 -0.935 . . . . 0.0 110.345 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . 0.594 ' CE1' ' CD1' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -118.95 37.21 4.18 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.262 -0.899 . . . . 0.0 109.973 179.888 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . 0.566 ' CG ' ' O ' ' B' ' 10' ' ' TYR . 0.9 OUTLIER -51.54 122.29 7.79 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.406 -0.809 . . . . 0.0 110.368 -179.685 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . 0.465 ' HB2' ' CB ' ' A' ' 16' ' ' LEU . 28.2 t30 . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.273 -0.892 . . . . 0.0 110.233 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.526 ' CB ' ' HB3' ' B' ' 9' ' ' PHE . 4.8 mt-30 . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.315 0.579 . . . . 0.0 109.975 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.466 ' HA ' ' O ' ' B' ' 7' ' ' ARG . 8.4 t -89.77 161.78 15.86 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.238 -0.914 . . . . 0.0 110.291 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.473 ' CD1' ' N ' ' B' ' 20' ' ' PHE . 14.3 m-85 -102.89 178.42 4.57 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.262 -0.899 . . . . 0.0 110.281 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.414 ' CG2' ' O ' ' B' ' 21' ' ' VAL . 35.6 m . . . . . 0 N--CA 1.492 1.653 0 O-C-N 121.22 -0.925 . . . . 0.0 110.243 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.532 ' CG2' ' N ' ' A' ' 6' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.657 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.538 ' HA ' ' CG2' ' A' ' 21' ' ' VAL . 15.1 mt -155.5 116.07 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.106 -0.996 . . . . 0.0 110.659 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.2 128.39 55.05 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.408 -0.808 . . . . 0.0 109.597 179.439 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.559 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 8.6 p90 -152.2 177.35 10.62 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.097 -1.002 . . . . 0.0 111.021 -179.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.402 ' CD1' ' C ' ' A' ' 8' ' ' TYR . 1.1 m-85 -134.16 -160.28 1.04 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.577 -0.702 . . . . 0.0 109.195 179.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -150.96 123.24 8.33 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.175 -0.953 . . . . 0.0 110.271 179.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.47 ' HB2' ' O ' ' A' ' 16' ' ' LEU . 1.7 m-20 -125.13 77.93 1.67 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.275 -0.891 . . . . 0.0 109.951 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.536 ' O ' ' N ' ' A' ' 14' ' ' ASP . . . -60.53 -135.84 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.299 -0.875 . . . . 0.0 109.913 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.468 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 22.4 mttp 66.32 -60.14 0.32 Allowed 'General case' 0 N--CA 1.495 1.806 0 CA-C-O 122.013 0.911 . . . . 0.0 109.062 -179.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.536 ' N ' ' O ' ' A' ' 12' ' ' ALA . 30.0 m-20 -113.47 3.13 15.65 Favored 'General case' 0 C--N 1.293 -1.848 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 178.332 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.42 72.12 0.86 Allowed Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.774 -1.331 . . . . 0.0 109.774 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.47 ' O ' ' HB2' ' A' ' 11' ' ' ASN . 5.2 tt . . . . . 0 N--CA 1.491 1.593 0 O-C-N 121.183 -1.187 . . . . 0.0 110.19 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.445 ' O ' ' HB2' ' A' ' 8' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 121.342 0.591 . . . . 0.0 110.208 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.532 ' HA ' ' CB ' ' A' ' 8' ' ' TYR . 50.6 m -148.89 83.41 1.45 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.241 -0.912 . . . . 0.0 110.012 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -89.35 134.52 34.04 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.275 -0.891 . . . . 0.0 110.08 -179.614 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.538 ' CG2' ' HA ' ' A' ' 6' ' ' ILE . 99.5 t -130.76 172.02 16.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.417 -0.802 . . . . 0.0 110.024 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.473 ' CD1' HG12 ' B' ' 5' ' ' ILE . 10.3 t80 -166.58 135.56 2.95 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.329 -0.857 . . . . 0.0 110.059 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.324 0 N-CA-C 109.615 -1.394 . . . . 0.0 109.615 -179.771 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 . . . . . 0 N--CA 1.492 1.625 0 CA-C-O 121.388 0.613 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.528 HG21 ' N ' ' B' ' 6' ' ' ILE . 3.1 mt -113.38 170.54 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.32 -0.863 . . . . 0.0 109.948 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.528 ' N ' HG21 ' B' ' 5' ' ' ILE . 7.0 mm -139.29 127.74 27.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.223 -0.923 . . . . 0.0 110.31 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' ARG . . . . . 0.517 ' O ' ' NE2' ' B' ' 18' ' ' GLN . 0.0 OUTLIER -113.55 91.21 3.56 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.281 -0.887 . . . . 0.0 109.847 179.626 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . 0.634 ' CE1' ' CG2' ' B' ' 19' ' ' THR . 0.5 OUTLIER -98.69 139.13 34.86 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.382 -0.824 . . . . 0.0 110.288 -179.695 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . 0.468 ' HB3' ' OE1' ' B' ' 18' ' ' GLN . 46.2 t80 -150.49 98.06 2.6 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.158 -0.964 . . . . 0.0 110.164 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . 0.463 ' O ' ' HB2' ' B' ' 11' ' ' ASN . 16.9 t80 -66.35 135.25 54.09 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.22 -0.925 . . . . 0.0 110.31 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' B' ' 10' ' ' TYR . 33.0 t30 . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.507 -0.746 . . . . 0.0 109.497 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.517 ' NE2' ' O ' ' B' ' 7' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.073 0.463 . . . . 0.0 109.782 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.634 ' CG2' ' CE1' ' B' ' 8' ' ' TYR . 20.5 m -160.6 97.43 1.2 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.961 -1.087 . . . . 0.0 110.858 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.582 ' CD1' ' O ' ' B' ' 20' ' ' PHE . 28.3 p90 -150.19 134.12 16.9 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.298 -0.876 . . . . 0.0 109.882 179.274 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.483 ' CG1' ' O ' ' B' ' 5' ' ' ILE . 11.0 p . . . . . 0 N--CA 1.492 1.662 0 O-C-N 121.264 -0.898 . . . . 0.0 110.491 -179.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 21.6 mm . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 121.296 0.57 . . . . 0.0 110.341 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.625 ' CD1' ' CE1' ' A' ' 8' ' ' TYR . 1.5 tt -98.5 131.88 44.74 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.203 -0.936 . . . . 0.0 110.136 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.41 ' HB2' ' O ' ' A' ' 20' ' ' PHE . 0.6 OUTLIER -110.86 102.81 11.29 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.173 -0.954 . . . . 0.0 110.151 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.625 ' CE1' ' CD1' ' A' ' 6' ' ' ILE . 4.8 m-85 -114.16 132.93 55.91 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.296 -0.878 . . . . 0.0 110.189 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.414 ' O ' ' N ' ' A' ' 11' ' ' ASN . 48.0 m-85 -146.99 68.74 1.16 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.234 -0.916 . . . . 0.0 110.207 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -62.56 82.86 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.244 -0.91 . . . . 0.0 110.216 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.473 ' O ' ' N ' ' A' ' 15' ' ' GLY . 1.0 OUTLIER -85.91 81.71 8.43 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.241 -0.912 . . . . 0.0 110.172 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.99 -38.28 72.83 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.285 -0.884 . . . . 0.0 110.221 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.419 ' HG2' ' N ' ' A' ' 14' ' ' ASP . 33.6 ttmt -49.17 -81.09 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.166 -0.959 . . . . 0.0 109.415 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.419 ' N ' ' HG2' ' A' ' 13' ' ' LYS . 30.6 t0 -73.59 -2.88 24.74 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.225 -0.922 . . . . 0.0 109.445 178.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 11' ' ' ASN . . . 61.55 73.45 0.5 Allowed Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.513 ' HG ' ' ND2' ' B' ' 11' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.266 -1.138 . . . . 0.0 110.207 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.503 ' CG ' HD23 ' A' ' 16' ' ' LEU . 4.3 mt-30 . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.154 0.502 . . . . 0.0 110.259 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.605 ' CG2' ' CE2' ' B' ' 8' ' ' TYR . 2.6 m -140.29 81.06 1.79 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.268 -0.895 . . . . 0.0 110.284 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.577 ' CE1' ' HB3' ' B' ' 9' ' ' PHE . 60.6 m-85 -102.76 120.05 39.91 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.285 -0.884 . . . . 0.0 110.11 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.535 ' O ' ' CG2' ' B' ' 6' ' ' ILE . 5.5 t -146.52 100.07 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.132 -0.98 . . . . 0.0 109.971 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.612 ' CD1' ' HA ' ' B' ' 5' ' ' ILE . 15.6 p90 -179.17 137.36 0.14 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.274 -0.891 . . . . 0.0 110.108 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 22' ' ' TYR . . . . . . . . 0 N--CA 1.49 2.295 0 N-CA-C 109.759 -1.336 . . . . 0.0 109.759 -179.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . 0.456 ' O ' ' HB2' ' A' ' 22' ' ' TYR . 30.0 mmt-85 . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.26 0.553 . . . . 0.0 110.345 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.612 ' HA ' ' CD1' ' A' ' 22' ' ' TYR . 0.9 OUTLIER -126.26 46.76 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.331 -0.856 . . . . 0.0 110.105 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.535 ' CG2' ' O ' ' A' ' 21' ' ' VAL . 6.5 tp -89.53 131.24 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.052 -1.03 . . . . 0.0 111.136 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' ARG . . . . . 0.606 ' O ' ' CD1' ' B' ' 20' ' ' PHE . 8.8 ptt-85 -160.94 120.36 2.63 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.515 -0.741 . . . . 0.0 110.105 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . 0.625 ' CD1' ' N ' ' B' ' 8' ' ' TYR . 1.2 p90 -132.18 148.67 52.48 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.952 -1.093 . . . . 0.0 110.374 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . 0.577 ' HB3' ' CE1' ' A' ' 20' ' ' PHE . 13.5 p90 -150.17 129.27 12.69 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.292 -0.88 . . . . 0.0 110.449 -179.538 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . 0.419 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 5.4 t80 -89.42 158.32 17.79 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.381 -0.825 . . . . 0.0 110.177 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . 0.513 ' ND2' ' HG ' ' A' ' 16' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.624 0 O-C-N 121.281 -0.887 . . . . 0.0 110.126 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.54 0.686 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.553 ' HA ' ' CB ' ' B' ' 8' ' ' TYR . 1.8 m -130.14 143.55 50.85 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.503 -0.748 . . . . 0.0 109.735 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.606 ' CD1' ' O ' ' B' ' 7' ' ' ARG . 5.5 m-85 -89.66 156.72 18.38 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.175 -0.953 . . . . 0.0 109.858 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 30.3 m . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.197 -0.939 . . . . 0.0 110.274 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.551 ' CG2' ' N ' ' A' ' 6' ' ' ILE . 5.8 mt . . . . . 0 N--CA 1.493 1.689 0 CA-C-O 121.008 0.432 . . . . 0.0 110.234 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.551 ' N ' ' CG2' ' A' ' 5' ' ' ILE . 2.6 tt 39.66 45.41 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.533 -0.729 . . . . 0.0 110.684 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.526 ' CB ' ' O ' ' A' ' 20' ' ' PHE . 1.2 mtp180 -74.26 77.2 1.82 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.325 -0.859 . . . . 0.0 109.947 179.447 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.557 ' O ' ' CD1' ' A' ' 9' ' ' PHE . 32.4 p90 -107.46 166.87 10.34 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.231 -0.918 . . . . 0.0 110.367 -179.726 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.557 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 43.8 m-85 -149.95 -166.7 2.62 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.324 -0.86 . . . . 0.0 110.051 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -131.81 127.3 36.35 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.27 -0.894 . . . . 0.0 110.231 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 15' ' ' GLY . 1.2 m120 -123.23 91.77 3.55 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.255 -0.903 . . . . 0.0 110.187 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.15 -35.5 75.46 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.266 -0.896 . . . . 0.0 110.215 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.8 -69.49 0.11 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.274 -0.891 . . . . 0.0 109.337 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -79.34 -4.44 50.9 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.462 -0.774 . . . . 0.0 109.334 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 11' ' ' ASN . . . 56.67 59.51 10.66 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.667 -1.373 . . . . 0.0 109.667 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.527 HD13 ' N ' ' A' ' 18' ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.618 0 O-C-N 121.28 -1.129 . . . . 0.0 110.273 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.584 ' HG3' ' CZ ' ' B' ' 9' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.75 0 CA-C-O 121.358 0.599 . . . . 0.0 110.993 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.449 ' HB ' ' HB2' ' B' ' 8' ' ' TYR . 25.0 m -123.68 64.97 1.03 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.513 -0.742 . . . . 0.0 109.688 179.441 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.644 ' CE1' ' CB ' ' A' ' 22' ' ' TYR . 0.9 OUTLIER -89.7 116.67 27.99 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.403 -0.81 . . . . 0.0 110.243 -179.527 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.543 ' CG1' ' O ' ' B' ' 6' ' ' ILE . 7.3 p -102.08 99.92 9.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.094 -1.004 . . . . 0.0 109.809 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.644 ' CB ' ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -147.76 112.23 5.29 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.301 -0.874 . . . . 0.0 109.801 -179.389 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.395 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 179.941 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . 0.632 ' O ' ' CB ' ' B' ' 5' ' ' ILE . 4.6 mpt_? . . . . . 0 N--CA 1.489 1.493 0 CA-C-O 120.348 0.118 . . . . 0.0 110.763 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.632 ' CB ' ' O ' ' B' ' 4' ' ' ARG . 54.0 mt 109.54 167.41 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.514 2.764 0 C-N-CA 124.256 1.023 . . . . 0.0 109.578 -179.583 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.543 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 4.6 mt -58.94 160.72 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 CA-C-O 122.113 0.959 . . . . 0.0 112.32 -178.429 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' ARG . . . . . 0.588 ' CG ' ' CD1' ' A' ' 20' ' ' PHE . 24.5 ttp85 -139.53 113.11 8.45 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.531 -0.73 . . . . 0.0 109.715 179.13 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . 0.536 ' CZ ' ' CG2' ' B' ' 6' ' ' ILE . 36.9 m-85 -98.72 146.4 25.93 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.443 -0.786 . . . . 0.0 109.96 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . 0.584 ' CZ ' ' HG3' ' A' ' 18' ' ' GLN . 0.4 OUTLIER -140.52 53.79 1.61 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.188 -0.945 . . . . 0.0 110.502 -179.784 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . 0.572 ' O ' ' HB2' ' B' ' 11' ' ' ASN . 31.9 t80 -53.75 -171.98 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.176 -0.953 . . . . 0.0 108.718 179.084 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . 0.572 ' HB2' ' O ' ' B' ' 10' ' ' TYR . 19.0 t-20 . . . . . 0 N--CA 1.5 2.048 0 O-C-N 121.429 -0.795 . . . . 0.0 109.642 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.41 ' HB2' ' HB3' ' B' ' 9' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.313 0.578 . . . . 0.0 110.28 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.471 ' HA ' ' O ' ' B' ' 7' ' ' ARG . 29.6 m -136.05 136.71 40.45 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.25 -0.906 . . . . 0.0 110.037 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.558 ' CE1' ' NH2' ' B' ' 7' ' ' ARG . 7.8 m-85 -113.71 -165.38 1.0 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.111 -0.993 . . . . 0.0 110.432 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.491 1.587 0 O-C-N 121.31 -0.869 . . . . 0.0 109.87 179.829 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 31.8 mm . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.27 0.557 . . . . 0.0 109.949 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.433 ' CD1' HG21 ' A' ' 21' ' ' VAL . 41.4 mm -87.63 96.69 5.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.31 -0.869 . . . . 0.0 110.462 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -110.58 124.79 52.53 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.266 -0.896 . . . . 0.0 109.924 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.498 ' O ' ' CD1' ' A' ' 9' ' ' PHE . 29.2 p90 -136.92 173.21 11.94 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.112 -0.993 . . . . 0.0 110.575 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.498 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 19.1 m-85 -137.75 95.46 3.05 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.422 -0.799 . . . . 0.0 109.917 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.428 ' C ' ' O ' ' A' ' 9' ' ' PHE . 0.5 OUTLIER -41.81 116.66 0.82 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.303 -0.873 . . . . 0.0 110.49 -179.803 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.47 ' O ' ' O ' ' A' ' 12' ' ' ALA . 0.7 OUTLIER -114.21 83.61 1.9 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.313 -0.867 . . . . 0.0 109.992 179.777 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.525 ' O ' ' N ' ' A' ' 14' ' ' ASP . . . -60.31 -136.56 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.279 -0.888 . . . . 0.0 110.168 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.471 ' CB ' ' O ' ' A' ' 12' ' ' ALA . 12.6 tttt 67.87 -59.74 0.42 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.252 -0.905 . . . . 0.0 108.858 -179.362 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.525 ' N ' ' O ' ' A' ' 12' ' ' ALA . 24.0 p30 -121.74 9.11 10.06 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 108.369 -0.975 . . . . 0.0 108.369 178.325 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.71 52.5 52.63 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 tp . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.192 -1.181 . . . . 0.0 110.031 179.929 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.478 ' HG2' ' CE1' ' B' ' 9' ' ' PHE . 3.2 mt-30 . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.206 0.527 . . . . 0.0 110.001 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.458 ' HB ' ' O ' ' B' ' 8' ' ' TYR . 69.1 m -127.5 101.9 6.63 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.144 -0.973 . . . . 0.0 110.488 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -94.71 130.37 41.24 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.282 -0.886 . . . . 0.0 109.949 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.466 ' HB ' HG13 ' B' ' 6' ' ' ILE . 25.4 t -119.99 167.84 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.208 -0.933 . . . . 0.0 110.446 -179.755 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.583 ' CE1' HG12 ' B' ' 5' ' ' ILE . 81.8 t80 -151.76 78.31 1.25 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.351 -0.843 . . . . 0.0 109.922 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.47 ' O ' ' HB2' ' B' ' 4' ' ' ARG . . . . . . . . 0 N--CA 1.49 2.286 0 N-CA-C 109.861 -1.296 . . . . 0.0 109.861 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . 0.47 ' HB2' ' O ' ' A' ' 23' ' ' GLY . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.342 0.591 . . . . 0.0 110.194 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.583 HG12 ' CE1' ' A' ' 22' ' ' TYR . 19.8 mt -109.05 120.34 60.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.245 -0.909 . . . . 0.0 110.505 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.466 HG13 ' HB ' ' A' ' 21' ' ' VAL . 10.8 pt -118.54 160.89 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.307 -0.87 . . . . 0.0 109.611 179.459 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' ARG . . . . . 0.572 ' HD2' ' CE1' ' B' ' 20' ' ' PHE . 0.1 OUTLIER -145.95 145.57 30.71 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.075 -1.015 . . . . 0.0 110.742 -179.581 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . 0.476 ' HA ' ' HA ' ' B' ' 19' ' ' THR . 18.6 m-85 -123.28 61.46 1.04 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.472 -0.768 . . . . 0.0 109.603 179.508 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . 0.519 ' O ' ' N ' ' B' ' 18' ' ' GLN . 3.1 t80 -89.65 101.26 13.95 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.353 -0.842 . . . . 0.0 110.557 -179.595 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -114.99 -156.9 0.62 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.329 -0.857 . . . . 0.0 109.561 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 12.5 p30 . . . . . 0 N--CA 1.492 1.633 0 O-C-N 121.053 -1.029 . . . . 0.0 110.059 179.966 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.519 ' N ' ' O ' ' B' ' 9' ' ' PHE . 0.9 OUTLIER . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.19 0.519 . . . . 0.0 110.478 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.476 ' HA ' ' HA ' ' B' ' 8' ' ' TYR . 82.3 m -114.52 100.81 8.57 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.182 -0.949 . . . . 0.0 110.338 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.596 ' CD1' ' N ' ' B' ' 20' ' ' PHE . 11.4 p90 -150.26 -163.64 1.83 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.315 -0.866 . . . . 0.0 110.278 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.262 -0.899 . . . . 0.0 110.099 179.979 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.5 tt . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.202 0.525 . . . . 0.0 110.117 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.461 ' HA ' ' O ' ' A' ' 20' ' ' PHE . 1.5 mp -93.38 46.32 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.158 -0.964 . . . . 0.0 110.159 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.585 ' CZ ' ' CE2' ' A' ' 20' ' ' PHE . 52.1 mtm180 -43.27 104.54 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.229 -0.92 . . . . 0.0 109.901 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.471 ' HA ' ' O ' ' A' ' 18' ' ' GLN . 0.2 OUTLIER -120.03 65.34 0.82 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.153 -0.967 . . . . 0.0 110.584 -179.772 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.475 ' O ' ' O ' ' A' ' 10' ' ' TYR . 12.5 m-85 -89.77 108.42 19.68 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.182 -0.949 . . . . 0.0 109.415 179.46 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.475 ' O ' ' O ' ' A' ' 9' ' ' PHE . 20.9 t80 -42.98 168.2 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.269 -0.894 . . . . 0.0 110.628 -179.147 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.576 ' O ' ' N ' ' A' ' 15' ' ' GLY . 25.5 p30 -97.99 14.05 28.71 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.301 -0.874 . . . . 0.0 111.526 -179.333 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.718 ' O ' ' N ' ' A' ' 14' ' ' ASP . . . -49.43 146.26 4.1 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 120.855 -1.153 . . . . 0.0 110.718 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 47.98 -64.72 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.128 0 CA-C-O 121.921 0.867 . . . . 0.0 111.756 178.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.718 ' N ' ' O ' ' A' ' 12' ' ' ALA . 10.1 m-20 -66.92 -8.28 28.22 Favored 'General case' 0 C--N 1.285 -2.207 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.52 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.576 ' N ' ' O ' ' A' ' 11' ' ' ASN . . . 52.25 32.24 36.15 Favored Glycine 0 N--CA 1.495 2.613 0 C-N-CA 119.155 -1.497 . . . . 0.0 109.499 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.548 ' CD2' ' O ' ' A' ' 16' ' ' LEU . 1.4 tt . . . . . 0 N--CA 1.501 2.102 0 O-C-N 121.081 -1.246 . . . . 0.0 111.084 -179.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.503 ' HA ' ' HB2' ' B' ' 9' ' ' PHE . 30.3 mt-30 . . . . . 0 N--CA 1.489 1.476 0 CA-C-O 121.444 0.64 . . . . 0.0 110.571 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.9 m -132.57 86.17 2.3 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.567 -0.708 . . . . 0.0 109.328 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.623 ' CD2' ' NE ' ' B' ' 7' ' ' ARG . 9.0 m-85 -89.4 156.16 18.86 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.316 -0.865 . . . . 0.0 110.292 -179.258 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.532 ' HB ' ' CG1' ' B' ' 6' ' ' ILE . 17.5 t -149.98 26.09 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.342 -0.849 . . . . 0.0 109.972 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.477 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 1.7 t80 -70.46 99.7 1.65 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.345 -0.847 . . . . 0.0 110.149 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.216 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 179.916 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.659 0 CA-C-O 121.106 0.479 . . . . 0.0 110.766 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.507 ' O ' ' CG2' ' B' ' 6' ' ' ILE . 0.0 OUTLIER -171.34 131.3 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.152 -0.967 . . . . 0.0 110.089 179.561 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.532 ' CG1' ' HB ' ' A' ' 21' ' ' VAL . 40.5 pt -156.18 -175.08 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.372 -0.83 . . . . 0.0 109.931 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' ARG . . . . . 0.623 ' NE ' ' CD2' ' A' ' 20' ' ' PHE . 22.8 ttm180 -166.37 161.61 16.6 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.17 -0.956 . . . . 0.0 110.242 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . 0.533 ' CD1' ' C ' ' B' ' 7' ' ' ARG . 65.2 m-85 -151.53 38.69 0.63 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.23 -0.918 . . . . 0.0 110.017 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . 0.584 ' CG ' ' O ' ' B' ' 9' ' ' PHE . 1.1 p90 -94.57 119.64 33.56 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.238 -0.914 . . . . 0.0 109.966 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -116.25 16.66 15.82 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.125 -0.984 . . . . 0.0 110.366 -179.632 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . 0.539 ' CB ' HD11 ' A' ' 16' ' ' LEU . 3.5 t-20 . . . . . 0 N--CA 1.49 1.556 0 O-C-N 121.172 -0.955 . . . . 0.0 110.144 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.41 ' O ' ' O ' ' B' ' 9' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 121.404 0.621 . . . . 0.0 110.321 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.45 HG21 ' O ' ' B' ' 7' ' ' ARG . 21.5 m -128.82 151.88 49.1 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.447 -0.783 . . . . 0.0 109.902 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.558 ' CD1' ' HB3' ' B' ' 7' ' ' ARG . 7.0 m-85 -112.1 126.53 55.28 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.112 -0.993 . . . . 0.0 110.415 -179.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 76.6 t . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.279 -0.888 . . . . 0.0 109.878 179.678 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' A' ' 7' ' ' ARG . 12.0 pt . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 121.415 0.626 . . . . 0.0 110.546 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.471 ' HA ' ' HA ' ' A' ' 21' ' ' VAL . 0.4 OUTLIER -57.63 88.96 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.382 -0.824 . . . . 0.0 110.553 -179.715 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.613 ' CB ' ' CE2' ' A' ' 20' ' ' PHE . 0.4 OUTLIER -49.07 151.74 1.25 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.289 -0.882 . . . . 0.0 109.689 179.534 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.542 ' CD1' ' OG1' ' A' ' 19' ' ' THR . 0.1 OUTLIER -155.58 99.55 2.03 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.439 -0.788 . . . . 0.0 110.574 -179.838 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.55 ' CE1' ' HG2' ' A' ' 7' ' ' ARG . 11.3 m-85 -123.52 91.51 3.49 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.209 -0.932 . . . . 0.0 109.844 179.524 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.456 ' HA ' ' O ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -99.19 151.97 20.41 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.37 -0.831 . . . . 0.0 110.174 -179.57 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.507 ' O ' ' N ' ' A' ' 15' ' ' GLY . 18.4 m120 -129.6 106.89 9.04 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.338 -0.851 . . . . 0.0 109.834 179.701 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -49.5 -40.0 35.95 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.219 -0.926 . . . . 0.0 110.512 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.17 -78.9 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.204 -0.935 . . . . 0.0 109.552 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.505 ' OD1' ' N ' ' A' ' 16' ' ' LEU . 3.3 p30 -71.76 -4.43 27.63 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.304 -0.872 . . . . 0.0 109.442 179.116 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 11' ' ' ASN . . . 61.64 37.69 94.63 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.505 ' N ' ' OD1' ' A' ' 14' ' ' ASP . 1.6 tt . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.231 -1.158 . . . . 0.0 110.078 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.54 ' HG3' ' NH1' ' A' ' 7' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.143 0.496 . . . . 0.0 109.775 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.542 ' OG1' ' CD1' ' A' ' 8' ' ' TYR . 2.0 m -172.24 138.93 1.0 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.25 -0.906 . . . . 0.0 110.156 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.613 ' CE2' ' CB ' ' A' ' 7' ' ' ARG . 3.9 p90 -149.99 142.76 24.68 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.046 -1.034 . . . . 0.0 110.492 179.362 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.488 ' O ' ' CA ' ' B' ' 5' ' ' ILE . 12.4 t -95.09 74.63 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.306 -0.871 . . . . 0.0 110.754 -179.337 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.597 ' HB3' ' CE1' ' A' ' 20' ' ' PHE . 13.9 t80 -126.78 88.57 2.84 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.289 -0.882 . . . . 0.0 109.23 179.178 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.241 0 C-N-CA 119.215 -1.469 . . . . 0.0 110.25 -178.98 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . 0.521 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.089 0.471 . . . . 0.0 110.195 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.495 ' HA ' ' HA ' ' A' ' 22' ' ' TYR . 2.4 tt -149.96 67.84 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.672 -0.642 . . . . 0.0 110.256 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.452 ' HB ' ' HB ' ' A' ' 21' ' ' VAL . 13.6 mt -98.73 166.81 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.011 -1.056 . . . . 0.0 110.387 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' ARG . . . . . 0.458 ' O ' ' HA ' ' B' ' 19' ' ' THR . 1.8 mtp85 -126.31 102.45 7.18 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.247 -0.908 . . . . 0.0 110.156 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . 0.525 ' N ' ' O ' ' A' ' 19' ' ' THR . 4.1 m-30 -111.38 81.01 1.37 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.333 -0.854 . . . . 0.0 110.452 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -104.53 113.99 27.92 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.046 -1.034 . . . . 0.0 110.338 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . 0.444 ' O ' ' HB3' ' B' ' 11' ' ' ASN . 14.9 t80 -118.72 158.9 24.65 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.337 -0.852 . . . . 0.0 110.086 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . 0.444 ' HB3' ' O ' ' B' ' 10' ' ' TYR . 1.5 p30 . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.178 -0.951 . . . . 0.0 110.224 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.266 0.555 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.458 ' HA ' ' O ' ' B' ' 7' ' ' ARG . 63.5 m -132.67 115.6 15.59 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.362 -0.837 . . . . 0.0 110.122 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.434 ' HB2' ' HB2' ' B' ' 7' ' ' ARG . 13.2 m-85 -118.61 178.96 4.27 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.219 -0.926 . . . . 0.0 110.226 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.456 ' CG2' ' O ' ' B' ' 21' ' ' VAL . 33.2 m . . . . . 0 N--CA 1.49 1.552 0 O-C-N 121.294 -0.879 . . . . 0.0 110.317 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.562 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.279 0.562 . . . . 0.0 110.35 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.42 ' N ' ' CD1' ' A' ' 6' ' ' ILE . 4.6 mp -123.83 74.1 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.3 -0.875 . . . . 0.0 110.14 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.73 102.06 13.82 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.261 -0.899 . . . . 0.0 110.351 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.565 ' O ' ' CD1' ' A' ' 9' ' ' PHE . 13.6 p90 -150.43 159.32 44.55 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.326 -0.859 . . . . 0.0 109.995 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.565 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 24.0 m-85 -146.15 93.28 2.3 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.147 -0.97 . . . . 0.0 110.535 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.428 ' C ' ' O ' ' A' ' 9' ' ' PHE . 22.7 t80 -44.35 136.41 4.09 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.176 -0.952 . . . . 0.0 109.537 179.591 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.478 ' O ' ' O ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -142.88 75.96 1.51 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.968 -1.083 . . . . 0.0 111.404 -179.388 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.833 ' O ' ' N ' ' A' ' 14' ' ' ASP . . . -62.46 -156.48 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 178.302 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp 48.58 -65.56 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.064 0 CA-C-O 121.919 0.866 . . . . 0.0 109.867 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.833 ' N ' ' O ' ' A' ' 12' ' ' ALA . 1.1 m-20 -55.03 -21.79 13.38 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 177.295 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.467 ' O ' ' HA ' ' B' ' 11' ' ' ASN . . . 96.53 -4.35 64.02 Favored Glycine 0 N--CA 1.489 2.2 0 C-N-CA 119.919 -1.134 . . . . 0.0 112.173 177.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.583 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.886 0 CA-C-N 119.848 1.824 . . . . 0.0 112.745 179.641 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.581 ' OE1' ' CD2' ' B' ' 9' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.499 1.987 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.459 ' HB ' ' HB2' ' B' ' 8' ' ' TYR . 54.6 m -144.52 115.84 8.02 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.088 -1.007 . . . . 0.0 111.094 -179.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.58 ' CD1' ' HG3' ' B' ' 7' ' ' ARG . 1.2 t80 -122.61 125.16 45.08 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 179.085 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.515 ' O ' ' CD1' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -149.89 100.99 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 120.719 -1.238 . . . . 0.0 111.452 -178.715 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.633 ' CE2' ' CD1' ' B' ' 6' ' ' ILE . 0.1 OUTLIER 164.75 107.58 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.702 -0.623 . . . . 0.0 109.993 178.877 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.417 0 N-CA-C 109.655 -1.378 . . . . 0.0 109.655 -179.869 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . 0.529 ' HD3' ' CZ ' ' A' ' 22' ' ' TYR . 2.6 mtt180 . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.365 0.602 . . . . 0.0 110.677 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.546 ' CA ' ' HB3' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -149.59 36.83 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.361 -0.837 . . . . 0.0 110.113 179.616 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.633 ' CD1' ' CE2' ' A' ' 22' ' ' TYR . 91.9 mt -70.02 141.72 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 CA-C-O 121.808 0.813 . . . . 0.0 110.861 -179.511 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' ARG . . . . . 0.586 ' HB3' ' CZ ' ' B' ' 20' ' ' PHE . 0.0 OUTLIER -137.56 143.74 41.71 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.402 -0.811 . . . . 0.0 110.033 179.838 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . 0.539 ' CE1' HG22 ' B' ' 6' ' ' ILE . 7.0 m-85 -118.71 114.86 23.36 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.672 -0.642 . . . . 0.0 109.579 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . 0.635 ' O ' ' CD1' ' B' ' 9' ' ' PHE . 21.5 t80 -152.59 97.29 2.23 Favored 'General case' 0 N--CA 1.506 2.366 0 O-C-N 120.555 -1.34 . . . . 0.0 112.869 -179.377 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . 0.55 ' HB2' ' H ' ' B' ' 18' ' ' GLN . 0.7 OUTLIER -134.02 170.64 15.34 Favored 'General case' 0 N--CA 1.509 2.522 0 O-C-N 120.101 -1.624 . . . . 0.0 109.48 177.532 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . 0.467 ' HA ' ' O ' ' A' ' 15' ' ' GLY . 4.7 p-10 . . . . . 0 N--CA 1.492 1.648 0 O-C-N 121.273 -0.892 . . . . 0.0 110.202 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.554 ' CB ' ' O ' ' B' ' 9' ' ' PHE . 6.3 tt0 . . . . . 0 N--CA 1.506 2.333 0 CA-C-O 121.215 0.531 . . . . 0.0 112.245 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.515 ' HA ' ' O ' ' B' ' 7' ' ' ARG . 55.0 m -99.61 105.9 17.81 Favored 'General case' 0 C--N 1.303 -1.419 0 C-N-CA 119.73 -0.788 . . . . 0.0 111.036 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.586 ' CZ ' ' HB3' ' B' ' 7' ' ' ARG . 8.7 p90 -122.88 143.66 49.73 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 119.596 -0.842 . . . . 0.0 109.847 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.465 ' HA ' HG12 ' B' ' 6' ' ' ILE . 4.7 m . . . . . 0 N--CA 1.491 1.583 0 O-C-N 121.205 -0.934 . . . . 0.0 110.523 -179.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.466 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 3.7 mt . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.33 0.586 . . . . 0.0 109.594 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.531 ' HA ' ' CG1' ' A' ' 21' ' ' VAL . 1.7 mt -63.12 111.74 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.326 -0.859 . . . . 0.0 110.966 -179.171 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.573 ' HB3' ' CE2' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -107.39 107.66 18.66 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.512 -0.742 . . . . 0.0 109.101 179.089 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.579 ' CG ' HG22 ' A' ' 19' ' ' THR . 0.2 OUTLIER -86.29 153.49 21.94 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.285 -0.884 . . . . 0.0 111.145 -178.938 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.573 ' CE2' ' HB3' ' A' ' 7' ' ' ARG . 64.0 m-85 -149.93 76.27 1.28 Allowed 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.501 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.528 ' CE2' ' HB2' ' A' ' 12' ' ' ALA . 10.3 t80 -40.55 165.62 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.51 -0.744 . . . . 0.0 111.14 -178.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.614 ' O ' ' CA ' ' A' ' 15' ' ' GLY . 31.3 p-10 -89.16 -18.48 27.06 Favored 'General case' 0 C--O 1.199 -1.57 0 O-C-N 121.513 -0.742 . . . . 0.0 111.327 -179.431 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.528 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . . . -45.37 -68.25 0.21 Allowed 'General case' 0 C--N 1.29 -2.006 0 O-C-N 120.173 -1.579 . . . . 0.0 111.041 -179.36 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -51.66 -85.68 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.428 -0.795 . . . . 0.0 111.708 -178.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.89 -3.37 3.35 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.47 -0.769 . . . . 0.0 111.13 -178.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.614 ' CA ' ' O ' ' A' ' 11' ' ' ASN . . . 74.48 15.31 80.46 Favored Glycine 0 N--CA 1.497 2.716 0 C-N-CA 118.307 -1.901 . . . . 0.0 109.428 -179.505 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.524 ' CD1' ' CZ ' ' B' ' 9' ' ' PHE . 5.9 tt . . . . . 0 N--CA 1.498 1.957 0 O-C-N 121.149 -1.206 . . . . 0.0 110.812 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 . . . . . 0 N--CA 1.494 1.733 0 CA-C-O 121.298 0.571 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.579 HG22 ' CG ' ' A' ' 8' ' ' TYR . 0.2 OUTLIER -116.79 83.57 1.99 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.228 -0.92 . . . . 0.0 110.264 179.794 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.596 ' CZ ' ' HB2' ' A' ' 22' ' ' TYR . 8.3 t80 -89.38 107.21 18.94 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.231 -0.918 . . . . 0.0 109.749 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.561 ' CG2' ' N ' ' A' ' 22' ' ' TYR . 2.1 m -94.64 -45.02 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 121.188 -0.945 . . . . 0.0 110.802 -179.348 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.596 ' HB2' ' CZ ' ' A' ' 20' ' ' PHE . 9.4 t80 64.07 154.87 0.06 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.35 -0.844 . . . . 0.0 110.544 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.277 0 N-CA-C 109.44 -1.464 . . . . 0.0 109.44 179.827 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . 0.448 ' NH1' ' CG2' ' B' ' 21' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.311 0.577 . . . . 0.0 110.196 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.413 ' CG2' ' CD1' ' A' ' 22' ' ' TYR . 33.6 mt -130.48 73.43 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.211 -0.93 . . . . 0.0 110.062 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.639 ' CG2' ' CE1' ' B' ' 8' ' ' TYR . 96.8 mt -63.03 113.32 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.402 -0.811 . . . . 0.0 110.198 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 17.9 mtm180 -119.85 89.73 3.19 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.252 -0.905 . . . . 0.0 110.211 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . 0.639 ' CE1' ' CG2' ' B' ' 6' ' ' ILE . 21.9 m-30 -75.69 150.23 37.94 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.242 -0.911 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . 0.524 ' CZ ' ' CD1' ' A' ' 16' ' ' LEU . 65.9 t80 -150.14 46.79 0.91 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.449 -0.782 . . . . 0.0 109.585 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . 0.573 ' CD1' ' O ' ' B' ' 10' ' ' TYR . 0.7 OUTLIER -39.11 -33.86 0.15 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.705 -0.622 . . . . 0.0 110.607 -179.818 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . 0.436 ' HA ' ' HG ' ' A' ' 16' ' ' LEU . 17.1 t30 . . . . . 0 N--CA 1.492 1.645 0 O-C-N 120.941 -1.1 . . . . 0.0 109.896 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.478 ' O ' ' HB3' ' B' ' 9' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 121.261 0.553 . . . . 0.0 110.051 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.0 m -98.28 156.33 16.77 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.156 -0.965 . . . . 0.0 110.402 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -118.78 64.96 0.77 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.312 -0.867 . . . . 0.0 110.014 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.448 ' CG2' ' NH1' ' B' ' 4' ' ' ARG . 7.4 p . . . . . 0 N--CA 1.491 1.609 0 O-C-N 121.2 -0.938 . . . . 0.0 110.375 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.487 ' O ' ' CG2' ' A' ' 5' ' ' ILE . 6.6 tp . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 121.28 0.562 . . . . 0.0 110.028 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 40.0 mt -67.14 112.06 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.241 -0.912 . . . . 0.0 110.274 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.477 ' CG ' HG13 ' A' ' 5' ' ' ILE . 76.0 mtm-85 -127.48 119.02 25.15 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.201 -0.937 . . . . 0.0 110.156 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.458 ' CB ' ' HA ' ' A' ' 19' ' ' THR . 35.5 p90 -121.93 162.95 20.12 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.27 -0.894 . . . . 0.0 110.213 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -127.44 -163.26 1.24 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.334 -0.854 . . . . 0.0 109.967 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -128.49 136.64 51.09 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.228 -0.92 . . . . 0.0 110.396 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.528 ' ND2' ' N ' ' A' ' 11' ' ' ASN . 0.0 OUTLIER -142.82 112.04 6.62 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.45 -0.781 . . . . 0.0 109.429 179.691 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.491 ' O ' ' C ' ' A' ' 13' ' ' LYS . . . -90.05 -6.96 54.95 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.466 -0.772 . . . . 0.0 110.948 -179.275 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.491 ' C ' ' O ' ' A' ' 12' ' ' ALA . 10.1 mttt -38.45 -52.39 1.57 Allowed 'General case' 0 N--CA 1.498 1.962 0 CA-C-O 121.812 0.815 . . . . 0.0 108.947 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.544 ' HB2' ' CD1' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -130.46 9.88 5.17 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 107.667 -1.235 . . . . 0.0 107.667 177.306 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.505 ' N ' HD11 ' A' ' 16' ' ' LEU . . . 66.06 76.82 0.31 Allowed Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.658 -1.377 . . . . 0.0 109.658 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.632 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.655 0 O-C-N 120.993 -1.298 . . . . 0.0 111.462 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.408 ' O ' ' HB2' ' A' ' 8' ' ' TYR . 7.9 tt0 . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.558 0.694 . . . . 0.0 111.21 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.51 ' O ' ' CB ' ' B' ' 8' ' ' TYR . 4.3 m -122.2 91.7 3.56 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.569 -0.707 . . . . 0.0 109.27 179.35 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.606 ' CD1' ' CD ' ' B' ' 7' ' ' ARG . 5.4 t80 -89.63 130.44 35.93 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.269 -0.894 . . . . 0.0 110.766 -179.148 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.494 ' O ' ' CE1' ' A' ' 20' ' ' PHE . 4.1 t -106.74 161.34 5.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.399 -0.813 . . . . 0.0 109.482 179.499 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.529 ' HA ' ' CD1' ' B' ' 5' ' ' ILE . 79.6 t80 -151.29 83.89 1.31 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.852 -1.155 . . . . 0.0 111.404 -179.259 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.563 ' N ' ' CD1' ' B' ' 5' ' ' ILE . . . . . . . . 0 N--CA 1.489 2.2 0 N-CA-C 108.767 -1.733 . . . . 0.0 108.767 179.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . 0.567 ' CD ' ' N ' ' B' ' 4' ' ' ARG . 6.7 mpt_? . . . . . 0 N--CA 1.495 1.792 0 CA-C-O 120.492 0.187 . . . . 0.0 111.281 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.563 ' CD1' ' N ' ' A' ' 23' ' ' GLY . 27.1 mm -150.06 126.39 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 120.546 -1.346 . . . . 0.0 111.382 -179.52 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.474 ' HA ' ' O ' ' B' ' 21' ' ' VAL . 10.1 tt -125.02 130.55 73.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.672 -0.642 . . . . 0.0 110.413 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' ARG . . . . . 0.606 ' CD ' ' CD1' ' A' ' 20' ' ' PHE . 1.0 OUTLIER -102.36 126.23 49.31 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.459 -0.776 . . . . 0.0 110.11 179.894 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . 0.51 ' CB ' ' O ' ' A' ' 19' ' ' THR . 0.3 OUTLIER -108.32 139.71 42.63 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.223 -0.923 . . . . 0.0 110.159 179.881 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . 0.443 ' O ' ' CD2' ' B' ' 9' ' ' PHE . 38.6 t80 -149.79 59.32 0.99 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.197 -0.939 . . . . 0.0 110.477 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . 0.626 ' CD1' ' N ' ' B' ' 11' ' ' ASN . 1.1 p90 -60.65 -179.07 0.11 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.151 -0.968 . . . . 0.0 109.607 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . 0.626 ' N ' ' CD1' ' B' ' 10' ' ' TYR . 18.6 p-10 . . . . . 0 N--CA 1.493 1.68 0 O-C-N 121.064 -1.023 . . . . 0.0 110.619 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.278 0.561 . . . . 0.0 110.013 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.485 HG23 ' CZ ' ' B' ' 8' ' ' TYR . 0.1 OUTLIER -117.6 137.92 52.29 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.186 -0.946 . . . . 0.0 110.416 -179.787 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.454 ' CD1' ' N ' ' B' ' 20' ' ' PHE . 12.1 m-85 -101.14 -160.45 0.8 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.36 -0.838 . . . . 0.0 109.913 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.474 ' O ' ' HA ' ' B' ' 6' ' ' ILE . 7.8 p . . . . . 0 N--CA 1.493 1.697 0 O-C-N 121.18 -0.95 . . . . 0.0 110.602 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.529 HD13 ' CZ ' ' A' ' 22' ' ' TYR . 4.2 pt . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.241 0.543 . . . . 0.0 109.977 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.528 ' HA ' ' CG1' ' A' ' 21' ' ' VAL . 2.5 mp -146.63 96.79 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.132 -0.98 . . . . 0.0 110.419 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.6 mmt-85 -94.41 120.35 34.53 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.216 -0.927 . . . . 0.0 109.854 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.527 ' CB ' ' HA ' ' A' ' 19' ' ' THR . 26.4 p90 -156.58 176.92 12.08 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.204 -0.935 . . . . 0.0 110.606 -179.657 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -134.98 176.17 8.91 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.459 -0.776 . . . . 0.0 109.687 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -127.78 138.35 52.71 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.13 -0.981 . . . . 0.0 110.478 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -142.85 63.02 1.39 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.348 -0.845 . . . . 0.0 110.14 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.12 -25.44 5.17 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.27 -0.894 . . . . 0.0 110.256 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -53.75 -74.68 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.262 -0.899 . . . . 0.0 109.387 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.43 -5.24 31.32 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.257 -0.902 . . . . 0.0 109.34 179.013 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.451 ' O ' HD13 ' A' ' 16' ' ' LEU . . . 74.07 46.41 22.2 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.451 HD13 ' O ' ' A' ' 15' ' ' GLY . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.617 0 O-C-N 121.263 -1.14 . . . . 0.0 110.301 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.311 0.577 . . . . 0.0 110.395 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.527 ' HA ' ' CB ' ' A' ' 8' ' ' TYR . 5.2 m -137.88 95.27 3.01 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.296 -0.878 . . . . 0.0 110.113 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -103.14 107.78 18.72 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.182 -0.949 . . . . 0.0 109.949 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.528 ' CG1' ' HA ' ' A' ' 6' ' ' ILE . 3.8 m -121.33 151.31 24.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.246 -0.909 . . . . 0.0 110.354 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.567 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 27.8 p90 -140.41 125.71 18.77 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.306 -0.871 . . . . 0.0 110.092 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 N-CA-C 109.635 -1.386 . . . . 0.0 109.635 -179.859 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.228 0.537 . . . . 0.0 110.143 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 29.6 mt -131.62 134.18 60.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.264 -0.898 . . . . 0.0 110.254 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.448 ' O ' ' O ' ' A' ' 21' ' ' VAL . 72.4 mt -129.12 151.13 35.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.286 -0.884 . . . . 0.0 110.194 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' ARG . . . . . 0.507 ' HB3' ' CD2' ' B' ' 20' ' ' PHE . 2.9 ttt180 -127.46 98.52 5.27 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.282 -0.886 . . . . 0.0 110.308 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . 0.478 ' O ' ' HB ' ' A' ' 19' ' ' THR . 12.7 m-85 -94.11 113.29 25.22 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.248 -0.908 . . . . 0.0 110.009 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . 0.624 ' CG ' ' O ' ' B' ' 9' ' ' PHE . 4.5 t80 -125.95 35.13 4.74 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.058 -1.026 . . . . 0.0 110.495 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . 0.603 ' HA ' ' NE2' ' B' ' 18' ' ' GLN . 1.3 p90 -43.14 122.43 2.49 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.946 -1.096 . . . . 0.0 110.237 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 13.9 p30 . . . . . 0 N--CA 1.494 1.772 0 O-C-N 121.181 -0.949 . . . . 0.0 110.305 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.616 ' OE1' ' N ' ' B' ' 9' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.833 0 CA-C-O 121.333 0.587 . . . . 0.0 110.801 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.468 HG23 ' CE1' ' B' ' 8' ' ' TYR . 37.6 m -101.5 123.43 45.53 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.281 -0.887 . . . . 0.0 110.074 179.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.507 ' CD2' ' HB3' ' B' ' 7' ' ' ARG . 5.9 m-85 -114.29 126.99 55.65 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.238 -0.914 . . . . 0.0 110.184 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . 0.45 HG11 ' O ' ' B' ' 21' ' ' VAL . 7.3 p . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.19 -0.944 . . . . 0.0 110.21 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MPT . . . . . 0.449 ' O ' ' HB2' ' A' ' 2' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.457 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 0.8 OUTLIER 62.95 93.96 0.05 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.244 -0.91 . . . . 0.0 109.647 -179.715 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.06 50.69 0.62 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.341 -0.849 . . . . 0.0 110.418 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CLG . . . . . 0.499 ' CE ' HG13 ' A' ' 21' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.529 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 0.4 OUTLIER -54.9 -165.0 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.292 -0.88 . . . . 0.0 110.047 -179.826 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.449 ' HA ' HG21 ' A' ' 21' ' ' VAL . 21.7 mt -142.17 132.19 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.019 -1.051 . . . . 0.0 110.56 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.477 ' HB3' ' O ' ' A' ' 20' ' ' PHE . 9.0 tpm_? -154.67 88.52 1.2 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.31 -0.869 . . . . 0.0 109.777 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.583 ' C ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -131.94 -177.54 4.49 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.393 -0.817 . . . . 0.0 111.292 -179.436 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.501 ' O ' ' O ' ' A' ' 10' ' ' TYR . 23.6 m-85 -133.0 20.42 4.11 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.119 -0.988 . . . . 0.0 110.008 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.516 ' O ' ' CB ' ' A' ' 11' ' ' ASN . 8.4 t80 48.22 170.59 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.752 0 CA-C-O 121.867 0.841 . . . . 0.0 111.513 179.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.521 ' O ' ' O ' ' A' ' 12' ' ' ALA . 0.6 OUTLIER 162.35 67.24 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.521 ' O ' ' O ' ' A' ' 11' ' ' ASN . . . -44.13 -103.47 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.469 -0.769 . . . . 0.0 110.967 -179.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.52 ' O ' ' CB ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER 45.74 84.84 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.619 -1.301 . . . . 0.0 109.203 -179.371 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.527 ' O ' ' CB ' ' B' ' 12' ' ' ALA . 3.4 m-20 74.45 0.19 3.51 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.73 -0.606 . . . . 0.0 109.615 -178.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.15 48.63 2.39 Favored Glycine 0 N--CA 1.492 2.387 0 C-N-CA 119.828 -1.177 . . . . 0.0 110.514 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.491 ' HB3' ' O ' ' A' ' 11' ' ' ASN . 0.3 OUTLIER -107.52 171.25 7.49 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.055 -1.262 . . . . 0.0 109.592 179.142 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ABA . . . . . 0.501 ' CG ' ' HA ' ' A' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.476 ' O ' ' HB2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -43.8 102.65 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.135 -0.978 . . . . 0.0 109.627 179.658 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.517 ' HA ' ' CB ' ' A' ' 8' ' ' TYR . 27.6 m -105.01 80.92 1.67 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.488 -0.758 . . . . 0.0 111.394 -178.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.583 ' CD1' ' HB3' ' B' ' 7' ' ' ARG . 51.2 t80 -89.76 85.62 6.47 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 178.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.567 ' HB ' ' CG2' ' B' ' 6' ' ' ILE . 78.9 t -89.85 157.7 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.172 -0.955 . . . . 0.0 111.469 -178.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.546 ' CD1' HG21 ' B' ' 5' ' ' ILE . 2.1 t80 -117.42 142.68 46.84 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.48 -0.762 . . . . 0.0 109.731 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.453 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -46.13 168.3 0.05 OUTLIER Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 121.96 138.81 5.47 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.601 -1.399 . . . . 0.0 109.601 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.457 ' HA ' ' O ' ' A' ' 2' ' ' LYS . 0.5 OUTLIER -64.64 -28.9 69.93 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.247 -1.149 . . . . 0.0 110.22 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.334 0 O-C-N 119.84 -1.787 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 9.0 tptm -83.41 47.39 1.25 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.251 -0.906 . . . . 0.0 110.084 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . 0.474 ' O ' ' HB3' ' B' ' 4' ' ' ARG . . . -108.68 -161.25 0.76 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.238 -0.914 . . . . 0.0 110.312 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.474 ' HB3' ' O ' ' B' ' 3' ' ' ALA . 17.0 tpt85 63.76 64.69 0.76 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.369 -0.832 . . . . 0.0 110.368 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.58 ' CD1' ' N ' ' B' ' 5' ' ' ILE . 0.0 OUTLIER -121.28 116.67 50.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.287 -0.883 . . . . 0.0 110.201 179.772 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.575 HD11 ' CE2' ' B' ' 8' ' ' TYR . 0.1 OUTLIER -72.71 64.79 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.339 0 CA-C-O 122.683 1.23 . . . . 0.0 109.635 179.74 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . 0.633 ' N ' ' HD2' ' B' ' 7' ' ' ARG . 0.0 OUTLIER -56.05 91.92 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.047 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.846 179.175 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . 0.575 ' CE2' HD11 ' B' ' 6' ' ' ILE . 0.1 OUTLIER -91.12 172.78 8.32 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.771 -0.581 . . . . 0.0 110.273 179.823 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . 0.531 ' HB3' ' CB ' ' B' ' 18' ' ' GLN . 58.8 t80 -150.22 67.89 0.98 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.273 -0.892 . . . . 0.0 110.087 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' B' ' 9' ' ' PHE . 6.7 t80 -42.56 102.6 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.288 -0.883 . . . . 0.0 110.208 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . 0.474 ' HA ' HD11 ' A' ' 16' ' ' LEU . 38.8 t-20 -113.14 130.43 56.2 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.268 -0.895 . . . . 0.0 110.165 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . 0.527 ' CB ' ' O ' ' A' ' 14' ' ' ASP . . . -61.59 174.51 0.76 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.287 -0.883 . . . . 0.0 110.324 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' B' ' 14' ' ' ASP . 16.8 mtmm -46.98 -25.23 0.75 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.211 -0.931 . . . . 0.0 110.044 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' B' ' 13' ' ' LYS . 0.9 OUTLIER -43.37 -29.7 0.46 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.225 -0.922 . . . . 0.0 110.216 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . 0.411 ' O ' ' HG3' ' B' ' 16' ' ' CLH . . . -138.44 -106.1 0.71 Allowed Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' CLH . . . . . 0.533 ' O ' ' CG ' ' B' ' 17' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ABA . . . . . 0.533 ' CG ' ' O ' ' B' ' 16' ' ' CLH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.531 ' CB ' ' HB3' ' B' ' 9' ' ' PHE . 0.0 OUTLIER 169.61 155.27 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.235 -0.916 . . . . 0.0 110.113 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.572 HG22 ' CD1' ' B' ' 8' ' ' TYR . 0.2 OUTLIER -162.53 117.25 1.81 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.355 -0.84 . . . . 0.0 109.898 179.893 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.623 ' N ' ' HD3' ' B' ' 7' ' ' ARG . 2.2 m-85 -89.63 97.68 11.33 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.183 -0.948 . . . . 0.0 110.138 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.578 ' CG2' ' NH1' ' B' ' 7' ' ' ARG . 97.7 t -87.7 126.62 41.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 120.767 -1.208 . . . . 0.0 110.561 -179.283 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . 0.406 ' CD1' ' N ' ' B' ' 22' ' ' TYR . 11.6 p90 -165.42 24.4 0.05 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.472 -0.767 . . . . 0.0 110.161 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.15 142.67 45.05 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.45 -26.83 4.1 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 5.8 m -108.75 -162.34 0.81 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.226 -1.161 . . . . 0.0 110.084 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 119.923 -1.735 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? 44.63 68.08 0.6 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.22 -0.925 . . . . 0.0 110.173 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.451 ' O ' ' O ' ' A' ' 4' ' ' CLG . . . -110.33 -120.68 0.28 Allowed 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.249 -0.907 . . . . 0.0 109.54 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CLG . . . . . 0.451 ' O ' ' O ' ' A' ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.518 ' O ' ' CG2' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -115.17 120.2 63.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.284 -0.885 . . . . 0.0 109.951 179.903 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.529 ' HA ' ' CG2' ' A' ' 21' ' ' VAL . 57.1 mt -83.48 160.22 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.307 -0.871 . . . . 0.0 110.526 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.457 ' NH1' ' CE1' ' A' ' 9' ' ' PHE . 0.0 OUTLIER 173.68 103.92 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.333 -0.854 . . . . 0.0 109.89 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.525 ' CB ' ' HA ' ' A' ' 19' ' ' THR . 49.7 p90 -127.33 179.23 5.57 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.171 -0.955 . . . . 0.0 110.526 -179.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.457 ' CE1' ' NH1' ' A' ' 7' ' ' ARG . 26.6 m-85 -128.44 111.82 13.72 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.371 -0.831 . . . . 0.0 109.955 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -69.42 139.45 54.05 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.256 -0.903 . . . . 0.0 110.446 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.455 ' HB3' ' OD1' ' A' ' 14' ' ' ASP . 55.1 m-80 -145.52 73.2 1.34 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.277 -0.889 . . . . 0.0 110.025 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.54 -35.36 63.14 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.325 -0.859 . . . . 0.0 110.367 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.95 -82.07 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.207 -0.933 . . . . 0.0 109.321 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.455 ' OD1' ' HB3' ' A' ' 11' ' ' ASN . 39.8 p-10 -75.44 -0.93 21.73 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.323 -0.861 . . . . 0.0 109.356 179.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 11' ' ' ASN . . . 61.39 34.89 89.93 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.445 ' CD1' ' HA ' ' B' ' 11' ' ' ASN . 0.8 OUTLIER -106.87 82.48 1.7 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.279 -1.13 . . . . 0.0 110.216 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.6 ' CG ' ' CD1' ' B' ' 9' ' ' PHE . 1.5 tm0? -51.1 139.36 18.2 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.246 -0.909 . . . . 0.0 110.206 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.525 ' HA ' ' CB ' ' A' ' 8' ' ' TYR . 49.3 m -133.43 151.47 51.8 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.263 -0.898 . . . . 0.0 110.242 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.486 ' HA ' ' HB2' ' B' ' 7' ' ' ARG . 0.4 OUTLIER -149.74 98.99 2.82 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.327 -0.858 . . . . 0.0 110.289 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.529 ' CG2' ' HA ' ' A' ' 6' ' ' ILE . 64.6 t -98.01 -79.31 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.266 -0.896 . . . . 0.0 110.075 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.585 ' CZ ' ' CG2' ' B' ' 5' ' ' ILE . 1.0 OUTLIER 69.56 116.75 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.442 -0.786 . . . . 0.0 110.354 179.75 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.44 ' CA ' ' HA ' ' A' ' 4' ' ' CLG . . . -109.23 101.98 1.57 Allowed Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.97 71.64 0.57 Allowed Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 177.1 -69.4 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.26 -1.141 . . . . 0.0 110.233 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 119.839 -1.788 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 15.8 mtmt -124.58 45.27 2.56 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.136 -0.977 . . . . 0.0 110.381 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -104.54 112.36 25.4 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.276 -0.89 . . . . 0.0 110.086 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -98.88 102.08 13.69 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.128 -0.982 . . . . 0.0 110.407 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.585 ' CG2' ' CZ ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -112.6 173.54 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.258 -0.901 . . . . 0.0 109.165 179.649 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.469 ' HA ' ' O ' ' B' ' 20' ' ' PHE . 12.3 tt -170.46 140.72 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.031 -1.043 . . . . 0.0 110.647 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . 0.613 ' CG ' ' CZ ' ' B' ' 20' ' ' PHE . 0.0 OUTLIER -172.23 147.71 2.04 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.335 -0.853 . . . . 0.0 110.107 179.634 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . 0.54 ' CB ' ' HB3' ' B' ' 17' ' ' ABA . 0.7 OUTLIER -115.87 116.59 28.26 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.718 -0.614 . . . . 0.0 109.365 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . 0.6 ' CD1' ' CG ' ' A' ' 18' ' ' GLN . 5.7 t80 -150.53 100.59 2.87 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.917 -1.114 . . . . 0.0 111.089 -179.294 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . 0.621 ' CB ' ' HA ' ' B' ' 17' ' ' ABA . 10.7 t80 -114.76 -86.36 0.6 Allowed 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.028 -1.045 . . . . 0.0 109.92 178.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . 0.468 ' HB2' ' O ' ' B' ' 10' ' ' TYR . 9.0 t30 175.28 -34.08 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.513 -0.742 . . . . 0.0 110.021 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . 0.437 ' HB3' ' HA3' ' B' ' 15' ' ' GLY . . . -90.09 129.76 36.34 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.314 -0.866 . . . . 0.0 110.21 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.454 ' HE2' ' OD1' ' B' ' 14' ' ' ASP . 0.0 OUTLIER -41.88 -78.05 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.228 -0.92 . . . . 0.0 110.489 -179.863 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . 0.454 ' OD1' ' HE2' ' B' ' 13' ' ' LYS . 19.4 p-10 -83.76 14.45 3.93 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.981 -1.074 . . . . 0.0 110.439 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . 0.437 ' HA3' ' HB3' ' B' ' 12' ' ' ALA . . . -87.91 19.11 35.7 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' CLH . . . . . 0.506 ' OL ' ' CZ ' ' B' ' 8' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ABA . . . . . 0.621 ' HA ' ' CB ' ' B' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.516 ' CB ' ' O ' ' B' ' 9' ' ' PHE . 22.3 tt0 -25.59 87.83 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.199 0 CA-C-O 121.344 0.593 . . . . 0.0 111.129 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.548 ' N ' ' O ' ' B' ' 17' ' ' ABA . 18.6 m -97.21 110.04 22.67 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.413 -0.804 . . . . 0.0 111.128 -178.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.613 ' CZ ' ' CG ' ' B' ' 7' ' ' ARG . 38.9 p90 -133.64 128.3 34.79 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.172 -0.955 . . . . 0.0 110.121 178.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.609 ' O ' ' CG ' ' B' ' 22' ' ' TYR . 1.4 t -106.79 -148.85 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 121.376 -0.827 . . . . 0.0 110.336 -179.316 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . 0.609 ' CG ' ' O ' ' B' ' 21' ' ' VAL . 39.6 p90 40.25 -165.79 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.778 0 CA-C-O 121.273 0.559 . . . . 0.0 110.542 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.425 ' N ' ' CD1' ' B' ' 22' ' ' TYR . . . -106.76 -69.2 0.7 Allowed Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 121.92 48.61 0.27 Allowed Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 7.6 t -97.81 101.76 13.35 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.258 -1.143 . . . . 0.0 110.26 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.383 0 O-C-N 119.881 -1.762 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MPT . . . . . 0.488 ' C ' ' HG3' ' A' ' 2' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.488 ' HG3' ' C ' ' A' ' 1' ' ' MPT . 10.1 mttt -128.76 -119.39 0.24 Allowed 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.237 -0.914 . . . . 0.0 109.627 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.541 ' O ' ' C ' ' A' ' 4' ' ' CLG . . . -77.8 52.89 1.07 Allowed 'General case' 0 C--N 1.286 -2.171 0 O-C-N 121.635 -0.666 . . . . 0.0 110.021 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CLG . . . . . 0.541 ' C ' ' O ' ' A' ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.8 mp -62.59 176.72 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.3 -0.875 . . . . 0.0 110.442 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.522 ' CD1' HG21 ' A' ' 21' ' ' VAL . 0.5 OUTLIER -143.75 107.35 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.285 -0.885 . . . . 0.0 110.098 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.49 140.99 52.01 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.275 -0.89 . . . . 0.0 110.244 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.443 ' O ' ' CD1' ' A' ' 9' ' ' PHE . 0.3 OUTLIER -119.92 142.3 48.84 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.3 -0.875 . . . . 0.0 110.256 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.443 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 43.4 m-85 -143.28 104.21 4.23 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.306 -0.871 . . . . 0.0 110.143 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.44 ' HA ' ' HG3' ' A' ' 17' ' ' ABA . 54.5 t80 -56.38 139.33 49.07 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.207 -0.933 . . . . 0.0 110.235 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.467 ' O ' ' O ' ' A' ' 12' ' ' ALA . 9.9 t30 -150.46 93.62 2.0 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.302 -0.874 . . . . 0.0 110.038 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.467 ' O ' ' O ' ' A' ' 11' ' ' ASN . . . -58.22 -116.93 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.327 -0.858 . . . . 0.0 110.142 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER 51.53 80.52 0.08 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.811 -1.18 . . . . 0.0 109.349 -179.678 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.458 ' CB ' ' O ' ' A' ' 13' ' ' LYS . 4.9 t70 67.78 8.03 6.13 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.333 -0.855 . . . . 0.0 109.409 -178.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 71.3 94.07 0.07 OUTLIER Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.606 -1.398 . . . . 0.0 109.606 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.527 ' O ' ' C ' ' A' ' 17' ' ' ABA . 3.1 tp -150.25 53.96 0.91 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.255 -1.144 . . . . 0.0 110.199 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ABA . . . . . 0.527 ' C ' ' O ' ' A' ' 16' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.458 ' HG2' ' CE2' ' B' ' 9' ' ' PHE . 15.6 mt-30 -71.57 142.19 50.04 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.311 -0.868 . . . . 0.0 110.214 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.424 ' O ' ' HB2' ' B' ' 8' ' ' TYR . 49.4 m -131.08 121.96 25.9 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.303 -0.873 . . . . 0.0 110.188 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -118.32 134.86 54.68 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.327 -0.858 . . . . 0.0 110.244 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.522 HG21 ' CD1' ' A' ' 6' ' ' ILE . 16.5 t -126.7 145.62 33.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.22 -0.925 . . . . 0.0 110.153 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.483 ' HA ' ' HA ' ' B' ' 5' ' ' ILE . 28.1 p90 -138.83 122.7 17.71 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.184 -0.948 . . . . 0.0 110.125 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.85 -166.81 0.23 Allowed Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.441 ' O ' ' SG ' ' A' ' 25' ' ' CYS . . . -130.02 60.69 0.67 Allowed Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.441 ' SG ' ' O ' ' A' ' 24' ' ' GLY . 67.0 m -151.82 -97.75 0.06 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.297 -1.119 . . . . 0.0 110.18 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.331 0 O-C-N 119.807 -1.808 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MPT . . . . . 0.436 ' C ' ' N ' ' B' ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' B' ' 1' ' ' MPT . 0.0 OUTLIER 41.23 31.92 0.17 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.452 -0.78 . . . . 0.0 110.302 -179.849 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . 0.436 ' N ' ' C ' ' B' ' 1' ' ' MPT . . . -110.89 61.97 0.61 Allowed 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.578 -0.701 . . . . 0.0 109.455 179.295 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.595 ' CB ' ' HA3' ' B' ' 23' ' ' GLY . 0.0 OUTLIER -131.09 -135.79 0.2 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.337 -0.852 . . . . 0.0 110.586 -178.873 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.508 ' CG2' ' O ' ' A' ' 21' ' ' VAL . 92.1 mt -90.66 150.23 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.09 -1.007 . . . . 0.0 110.212 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.445 ' N ' HG21 ' B' ' 5' ' ' ILE . 76.9 mt -131.29 118.97 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.24 -0.912 . . . . 0.0 110.225 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . 0.474 ' HB2' ' HB2' ' B' ' 20' ' ' PHE . 3.6 mtm180 -74.07 155.34 38.61 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.254 -0.904 . . . . 0.0 110.15 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . 0.554 ' O ' ' CD1' ' B' ' 9' ' ' PHE . 2.5 m-85 -149.0 158.31 44.09 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.379 -0.826 . . . . 0.0 110.193 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . 0.554 ' CD1' ' O ' ' B' ' 8' ' ' TYR . 8.5 m-85 -146.6 79.84 1.54 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.195 -0.941 . . . . 0.0 110.255 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . 0.526 ' HA ' ' CG ' ' B' ' 17' ' ' ABA . 82.8 t80 -50.46 107.51 0.17 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.226 -0.922 . . . . 0.0 110.234 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . 0.455 ' HB3' ' O ' ' B' ' 15' ' ' GLY . 1.7 t-20 -96.97 -160.7 0.82 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.28 -0.888 . . . . 0.0 110.145 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.05 -165.72 1.42 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.18 -0.95 . . . . 0.0 110.303 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.452 ' O ' ' CB ' ' B' ' 14' ' ' ASP . 0.0 OUTLIER -57.33 141.0 48.53 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.286 -0.884 . . . . 0.0 110.045 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . 0.452 ' CB ' ' O ' ' B' ' 13' ' ' LYS . 0.9 OUTLIER 65.8 9.2 5.84 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.231 -0.918 . . . . 0.0 110.126 -179.807 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . 0.546 ' O ' ' C ' ' B' ' 16' ' ' CLH . . . -111.44 65.57 0.25 Allowed Glycine 0 N--CA 1.489 2.201 0 N-CA-C 109.225 -1.55 . . . . 0.0 109.225 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' CLH . . . . . 0.546 ' C ' ' O ' ' B' ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ABA . . . . . 0.526 ' CG ' ' HA ' ' B' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.488 ' HB3' ' CZ ' ' B' ' 20' ' ' PHE . 9.3 mt-30 -65.64 110.93 2.94 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.277 -0.889 . . . . 0.0 109.936 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.57 ' O ' ' CD1' ' B' ' 20' ' ' PHE . 5.5 t -105.1 150.74 24.76 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.166 -0.959 . . . . 0.0 110.424 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.57 ' CD1' ' O ' ' B' ' 19' ' ' THR . 6.5 m-85 -134.67 -161.6 1.16 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.21 -0.932 . . . . 0.0 110.188 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.465 ' O ' ' HB2' ' B' ' 22' ' ' TYR . 32.9 m -127.68 158.87 39.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.298 -0.876 . . . . 0.0 110.373 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . 0.465 ' HB2' ' O ' ' B' ' 21' ' ' VAL . 76.7 t80 -178.85 51.29 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.322 -0.861 . . . . 0.0 109.969 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.595 ' HA3' ' CB ' ' B' ' 4' ' ' ARG . . . -110.15 -140.42 8.62 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.879 -1.288 . . . . 0.0 109.879 -179.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . 0.522 ' O ' ' N ' ' B' ' 26' ' ' NH2 . . . -169.31 -48.29 0.03 OUTLIER Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.225 -1.55 . . . . 0.0 109.225 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 58.95 -75.94 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.319 -1.107 . . . . 0.0 110.3 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' NH2 . . . . . 0.522 ' N ' ' O ' ' B' ' 24' ' ' GLY . . . . . . . . 0 C--N 1.305 -1.355 0 O-C-N 119.768 -1.832 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm -124.27 48.02 1.99 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.184 -0.947 . . . . 0.0 110.266 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -105.68 55.83 0.68 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.306 -0.871 . . . . 0.0 110.252 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CLG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.404 ' O ' HG12 ' A' ' 21' ' ' VAL . 44.6 mt -115.13 106.15 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.24 -0.912 . . . . 0.0 110.172 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.8 mt -76.37 100.75 2.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.309 -0.87 . . . . 0.0 110.183 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 20' ' ' PHE . 0.8 OUTLIER -117.5 133.45 55.95 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.301 -0.874 . . . . 0.0 110.2 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.55 ' O ' ' CD1' ' A' ' 9' ' ' PHE . 27.1 p90 -144.1 -172.55 3.79 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.211 -0.931 . . . . 0.0 110.253 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.55 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 43.9 m-85 -148.56 -164.78 2.1 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.313 -0.867 . . . . 0.0 110.162 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -142.49 110.47 5.92 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.242 -0.911 . . . . 0.0 110.259 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -99.4 80.89 2.46 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.266 -0.896 . . . . 0.0 110.158 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.25 -27.03 69.07 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.258 -0.901 . . . . 0.0 110.216 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.77 -80.33 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.238 -0.914 . . . . 0.0 109.329 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.53 -2.89 24.58 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.33 -0.857 . . . . 0.0 109.445 178.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.45 56.16 23.26 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.42 ' CD1' ' HB2' ' B' ' 11' ' ' ASN . 5.8 tp -148.55 80.64 1.45 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.328 -1.101 . . . . 0.0 110.241 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ABA . . . . . 0.484 ' HG1' ' N ' ' A' ' 18' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.484 ' N ' ' HG1' ' A' ' 17' ' ' ABA . 3.7 mt-30 -133.69 139.99 46.76 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.194 -0.941 . . . . 0.0 110.215 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.484 ' HA ' ' CB ' ' A' ' 8' ' ' TYR . 43.4 m -122.17 96.56 5.1 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.238 -0.914 . . . . 0.0 110.208 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.407 ' O ' ' O ' ' A' ' 7' ' ' ARG . 52.8 t80 -101.3 118.96 38.02 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.282 -0.886 . . . . 0.0 110.198 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.404 HG12 ' O ' ' A' ' 5' ' ' ILE . 30.9 t -111.81 168.74 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.344 -0.848 . . . . 0.0 110.299 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -140.04 113.26 8.35 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.229 -0.92 . . . . 0.0 110.198 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.83 -166.87 25.2 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -126.45 -42.32 0.3 Allowed Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.556 -1.417 . . . . 0.0 109.556 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 14.4 p -153.22 143.78 22.6 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.19 -1.182 . . . . 0.0 110.177 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.36 0 O-C-N 119.82 -1.8 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 24.8 ttmt 43.89 41.92 4.2 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.209 -0.932 . . . . 0.0 110.126 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' B' ' 22' ' ' TYR . . . -110.34 -166.86 1.12 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.383 -0.823 . . . . 0.0 110.182 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.444 ' HB3' ' O ' ' B' ' 3' ' ' ALA . 0.0 OUTLIER 179.08 47.86 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.246 -0.909 . . . . 0.0 110.177 179.866 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 12.2 mt -136.63 99.77 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.265 -0.897 . . . . 0.0 110.204 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.448 ' CG2' ' CE1' ' B' ' 8' ' ' TYR . 34.0 mt -71.17 117.63 14.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.31 -0.869 . . . . 0.0 110.202 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.23 120.94 37.44 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.252 -0.905 . . . . 0.0 110.171 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . 0.448 ' CE1' ' CG2' ' B' ' 6' ' ' ILE . 1.9 m-85 -113.73 165.89 12.09 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.352 -0.842 . . . . 0.0 110.127 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . 0.491 ' O ' ' CG ' ' B' ' 17' ' ' ABA . 0.2 OUTLIER -149.51 135.23 18.63 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.209 -0.932 . . . . 0.0 110.327 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . 0.434 ' CG ' ' O ' ' B' ' 10' ' ' TYR . 28.3 t80 -114.87 38.09 3.26 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.247 -0.908 . . . . 0.0 110.251 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . 0.42 ' HB2' ' CD1' ' A' ' 16' ' ' LEU . 12.3 p30 -60.37 -153.18 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.286 -0.884 . . . . 0.0 110.234 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -47.55 130.58 14.03 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.186 -0.946 . . . . 0.0 110.207 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.77 -18.79 9.2 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.282 -0.886 . . . . 0.0 110.202 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -56.63 -27.62 58.8 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.201 -0.937 . . . . 0.0 110.249 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . 0.466 ' O ' ' C ' ' B' ' 16' ' ' CLH . . . -94.21 14.15 65.9 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' CLH . . . . . 0.466 ' C ' ' O ' ' B' ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ABA . . . . . 0.491 ' CG ' ' O ' ' B' ' 9' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.18 160.51 10.21 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.26 -0.9 . . . . 0.0 110.257 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -146.33 154.3 41.51 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.282 -0.886 . . . . 0.0 110.199 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -123.11 175.46 6.62 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.306 -0.871 . . . . 0.0 110.217 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 40.3 t -134.27 71.98 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.268 -0.895 . . . . 0.0 110.208 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . 0.451 ' O ' ' HB3' ' B' ' 3' ' ' ALA . 0.1 OUTLIER -83.41 -0.76 51.39 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.338 -0.851 . . . . 0.0 110.237 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -108.56 12.66 35.89 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -123.48 -70.31 0.23 Allowed Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 49.11 -156.03 0.08 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.193 -1.18 . . . . 0.0 110.175 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.347 0 O-C-N 119.825 -1.797 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.521 ' O ' ' N ' ' A' ' 24' ' ' GLY . 0.8 OUTLIER -141.53 77.64 1.6 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.195 -0.941 . . . . 0.0 110.069 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 25' ' ' CYS . . . -98.07 58.5 1.34 Allowed 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.271 -0.893 . . . . 0.0 110.129 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CLG . . . . . 0.544 ' CK ' ' CZ ' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.435 ' O ' HG13 ' A' ' 5' ' ' ILE . 1.1 pt -121.79 133.78 67.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.067 -1.02 . . . . 0.0 110.353 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.466 HG12 HG22 ' A' ' 21' ' ' VAL . 57.6 mt -43.55 150.67 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.322 -0.862 . . . . 0.0 109.728 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.435 ' HA ' ' HD2' ' A' ' 7' ' ' ARG . 3.0 tpt180 -163.15 110.48 1.21 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.109 -0.994 . . . . 0.0 110.588 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.56 ' CB ' ' O ' ' A' ' 18' ' ' GLN . 3.3 p90 -114.53 161.95 17.35 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.396 -0.815 . . . . 0.0 109.385 179.206 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.619 ' CE2' ' HB3' ' A' ' 18' ' ' GLN . 1.5 p90 -111.26 33.56 4.59 Favored 'General case' 0 N--CA 1.496 1.847 0 C-N-CA 118.339 -1.344 . . . . 0.0 110.951 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.579 ' C ' ' O ' ' A' ' 9' ' ' PHE . 24.0 t80 1.05 -94.85 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.341 0 CA-C-O 121.346 0.594 . . . . 0.0 112.254 179.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.492 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 80.4 m-20 56.46 85.75 0.07 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.245 -0.91 . . . . 0.0 110.26 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.544 ' HB1' ' CZ ' ' A' ' 10' ' ' TYR . . . -74.43 -10.28 59.41 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.178 -0.951 . . . . 0.0 110.12 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.7 mttm -53.27 -75.02 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.225 -0.922 . . . . 0.0 109.459 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -72.32 -4.2 28.36 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.39 -0.818 . . . . 0.0 109.488 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.49 70.83 1.28 Allowed Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.525 ' CD1' ' HB2' ' B' ' 11' ' ' ASN . 0.6 OUTLIER -138.57 168.07 20.57 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.359 -1.083 . . . . 0.0 110.113 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ABA . . . . . 0.506 ' HA ' ' HA ' ' A' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.619 ' HB3' ' CE2' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -80.24 144.73 32.66 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.262 -0.899 . . . . 0.0 110.363 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.488 ' HA ' ' HB3' ' A' ' 8' ' ' TYR . 10.9 m -115.23 94.7 4.84 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 121.173 0.511 . . . . 0.0 109.872 179.519 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.544 ' CZ ' ' CK ' ' A' ' 4' ' ' CLG . 22.6 t80 -95.53 125.6 40.24 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.311 -0.868 . . . . 0.0 110.337 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.466 HG22 HG12 ' A' ' 6' ' ' ILE . 4.4 t -136.03 101.17 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.214 -0.929 . . . . 0.0 110.207 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.576 ' CG ' HG21 ' B' ' 5' ' ' ILE . 1.8 t80 -106.09 66.46 0.72 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.191 -0.943 . . . . 0.0 110.526 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.538 ' CA ' ' CB ' ' A' ' 4' ' ' CLG . . . -111.32 -128.41 5.26 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.969 -1.252 . . . . 0.0 109.969 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 2' ' ' LYS . . . 121.58 107.34 2.01 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.335 -1.506 . . . . 0.0 109.335 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' A' ' 3' ' ' ALA . 8.5 t 56.23 162.29 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.2 -1.177 . . . . 0.0 110.108 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . 0.434 ' N ' ' SG ' ' A' ' 25' ' ' CYS . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 119.806 -1.809 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.54 51.77 1.93 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.16 -0.962 . . . . 0.0 109.894 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . 0.569 ' HB3' ' CD2' ' B' ' 22' ' ' TYR . . . -97.68 63.01 1.69 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.307 -0.87 . . . . 0.0 110.631 -179.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.482 ' HG2' ' HA3' ' A' ' 24' ' ' GLY . 3.2 tpt180 -90.31 32.09 0.96 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.248 -0.907 . . . . 0.0 109.777 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.576 HG21 ' CG ' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -128.29 53.46 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.692 -0.63 . . . . 0.0 110.732 -179.743 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.52 HD12 ' CB ' ' B' ' 21' ' ' VAL . 1.0 OUTLIER -49.62 118.22 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.02 -1.05 . . . . 0.0 109.473 179.484 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . 0.564 ' HD3' ' CE1' ' B' ' 20' ' ' PHE . 0.0 OUTLIER -127.9 153.85 46.19 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.247 -0.908 . . . . 0.0 110.489 -179.617 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . 0.505 ' CE2' HG12 ' B' ' 6' ' ' ILE . 94.9 m-85 -135.14 74.37 1.52 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.538 -0.726 . . . . 0.0 110.18 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . 0.555 ' CB ' ' HG3' ' A' ' 18' ' ' GLN . 5.6 t80 -89.92 127.78 36.09 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.167 -0.958 . . . . 0.0 110.434 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . 0.464 ' O ' ' O ' ' B' ' 11' ' ' ASN . 35.6 t80 -152.24 52.98 0.8 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.279 -0.888 . . . . 0.0 110.098 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . 0.525 ' HB2' ' CD1' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -59.53 -143.21 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.334 -0.854 . . . . 0.0 110.243 179.842 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . 0.532 ' O ' ' N ' ' B' ' 14' ' ' ASP . . . -55.23 135.87 49.27 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.151 -0.968 . . . . 0.0 110.127 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.475 ' O ' ' HB3' ' B' ' 14' ' ' ASP . 0.0 OUTLIER -61.74 73.8 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.367 -0.833 . . . . 0.0 110.18 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' B' ' 12' ' ' ALA . 0.8 OUTLIER 173.52 -28.86 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.335 -0.853 . . . . 0.0 109.987 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.58 -92.45 0.03 OUTLIER Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' CLH . . . . . 0.466 ' O ' ' HG2' ' B' ' 16' ' ' CLH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ABA . . . . . 0.463 ' O ' ' CG ' ' B' ' 17' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.567 ' HG2' ' CE2' ' B' ' 20' ' ' PHE . 4.0 tt0 -118.49 57.6 0.85 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.145 -0.972 . . . . 0.0 110.373 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.479 ' HA ' ' O ' ' B' ' 7' ' ' ARG . 23.4 m -111.36 85.77 2.19 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.265 -0.897 . . . . 0.0 109.61 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.574 ' CE1' ' OH ' ' B' ' 22' ' ' TYR . 4.6 p90 -150.41 162.73 40.0 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.095 -1.003 . . . . 0.0 111.06 -179.041 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.52 ' CB ' HD12 ' B' ' 6' ' ' ILE . 8.0 p -151.26 108.98 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.603 -0.686 . . . . 0.0 109.748 179.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . 0.599 ' CD1' ' N ' ' B' ' 22' ' ' TYR . 0.1 OUTLIER -89.29 10.65 21.48 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.079 -1.013 . . . . 0.0 109.776 -179.857 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.492 ' N ' ' HB1' ' B' ' 3' ' ' ALA . . . -51.66 167.73 0.67 Allowed Glycine 0 N--CA 1.489 2.199 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 151.04 -27.44 1.01 Allowed Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 25.0 p -127.7 -176.83 3.88 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.224 -1.162 . . . . 0.0 110.264 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.308 0 O-C-N 119.941 -1.724 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 62.28 85.31 0.13 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.218 -0.926 . . . . 0.0 110.171 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.78 49.12 1.29 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.219 -0.926 . . . . 0.0 110.166 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CLG . . . . . 0.427 ' HA ' ' O ' ' A' ' 22' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -50.86 128.36 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.196 -0.94 . . . . 0.0 110.229 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.409 HG23 ' CD1' ' A' ' 8' ' ' TYR . 17.8 mt -98.62 77.8 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.283 -0.885 . . . . 0.0 110.217 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -93.76 102.0 14.13 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.209 -0.932 . . . . 0.0 110.136 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.533 ' O ' ' CD1' ' A' ' 9' ' ' PHE . 31.1 p90 -134.52 177.16 7.99 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.224 -0.922 . . . . 0.0 110.23 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.533 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 11.8 m-85 -134.08 72.72 1.47 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.279 -0.888 . . . . 0.0 110.108 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.57 ' CD1' ' HG3' ' A' ' 17' ' ' ABA . 22.4 t80 -50.72 147.47 4.76 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.218 -0.926 . . . . 0.0 110.3 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -164.81 76.49 0.3 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.294 -0.879 . . . . 0.0 110.059 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.58 -31.71 64.51 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.315 -0.866 . . . . 0.0 110.172 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.82 -71.6 0.06 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.175 -0.953 . . . . 0.0 109.238 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.21 -2.44 48.71 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.442 -0.786 . . . . 0.0 109.305 178.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.476 ' O ' ' O ' ' B' ' 11' ' ' ASN . . . 69.96 12.66 68.48 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.474 ' HA ' ' O ' ' B' ' 11' ' ' ASN . 1.6 tt -89.43 114.6 26.09 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.293 -1.122 . . . . 0.0 110.141 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ABA . . . . . 0.57 ' HG3' ' CD1' ' A' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.82 108.03 0.94 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.215 -0.928 . . . . 0.0 110.124 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.451 ' HB ' ' O ' ' B' ' 8' ' ' TYR . 17.1 m -102.32 89.89 3.72 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.165 -0.96 . . . . 0.0 110.292 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.624 ' CE2' ' NH1' ' B' ' 7' ' ' ARG . 1.9 t80 -94.23 121.17 35.47 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.281 -0.887 . . . . 0.0 110.16 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.445 ' HB ' HG21 ' B' ' 6' ' ' ILE . 19.8 t -116.58 161.97 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.269 -0.895 . . . . 0.0 110.403 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.427 ' O ' ' HA ' ' A' ' 4' ' ' CLG . 10.9 t80 -167.07 177.3 6.34 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.253 -0.905 . . . . 0.0 110.234 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -108.4 136.76 13.71 Favored Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.476 -1.449 . . . . 0.0 109.476 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -119.38 -65.54 0.29 Allowed Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.674 -1.371 . . . . 0.0 109.674 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.68 -50.36 72.78 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.301 -1.117 . . . . 0.0 110.313 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.364 0 O-C-N 119.873 -1.767 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt 49.1 58.17 5.67 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.287 -0.883 . . . . 0.0 110.183 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.08 -162.99 0.72 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.185 -0.947 . . . . 0.0 110.251 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -141.37 -60.05 0.48 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.211 -0.93 . . . . 0.0 110.266 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.591 ' CG2' ' CD1' ' B' ' 22' ' ' TYR . 9.9 tt -144.03 76.38 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 O-C-N 121.508 -0.745 . . . . 0.0 110.282 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.574 HG12 ' CE1' ' B' ' 8' ' ' TYR . 7.4 tt -110.24 174.07 2.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.302 -0.874 . . . . 0.0 110.112 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . 0.624 ' NH1' ' CE2' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -165.92 113.11 0.91 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.237 -0.914 . . . . 0.0 110.508 -179.9 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . 0.609 ' CE2' ' CG2' ' B' ' 19' ' ' THR . 91.3 m-85 -101.33 123.92 46.2 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.422 -0.799 . . . . 0.0 109.9 179.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . 0.53 ' O ' ' CB ' ' B' ' 18' ' ' GLN . 11.8 t80 -150.58 94.1 2.05 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.022 -1.049 . . . . 0.0 110.916 -179.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . 0.732 ' HB2' ' N ' ' B' ' 17' ' ' ABA . 1.3 t80 -76.04 -87.33 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.952 -1.092 . . . . 0.0 109.704 179.251 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . 0.597 ' N ' ' CG ' ' B' ' 10' ' ' TYR . 4.3 t-20 161.12 -81.87 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 -179.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . 0.569 ' O ' ' CD2' ' B' ' 10' ' ' TYR . . . -92.43 -155.92 0.45 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.198 -0.939 . . . . 0.0 111.028 179.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 40.24 -152.21 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.622 -0.674 . . . . 0.0 111.357 179.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.13 -10.31 6.13 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.46 -0.775 . . . . 0.0 111.105 -179.209 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . 0.621 ' HA2' ' HB3' ' B' ' 10' ' ' TYR . . . 74.37 69.53 1.38 Allowed Glycine 0 N--CA 1.489 2.181 0 C-N-CA 119.746 -1.216 . . . . 0.0 110.411 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' CLH . . . . . 0.624 ' C ' ' HB2' ' B' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ABA . . . . . 0.732 ' N ' ' HB2' ' B' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.53 ' CB ' ' O ' ' B' ' 9' ' ' PHE . 1.7 tt0 53.28 65.89 1.39 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.121 -0.987 . . . . 0.0 109.232 -179.093 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.609 ' CG2' ' CE2' ' B' ' 8' ' ' TYR . 36.3 m -103.24 143.58 32.45 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.418 -0.801 . . . . 0.0 110.467 -179.461 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.451 ' O ' HG13 ' B' ' 6' ' ' ILE . 13.0 m-30 -103.27 123.32 46.55 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.358 -0.839 . . . . 0.0 110.073 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 38.5 t -89.85 126.95 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.198 -0.939 . . . . 0.0 110.2 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . 0.591 ' CD1' ' CG2' ' B' ' 5' ' ' ILE . 2.2 t80 -166.72 -46.33 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.246 -0.909 . . . . 0.0 110.233 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.55 -70.13 1.06 Allowed Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.68 105.28 3.01 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 16.0 m -114.41 139.96 49.07 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.212 -1.169 . . . . 0.0 110.247 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.308 0 O-C-N 119.939 -1.726 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.25 51.03 0.99 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.223 -0.923 . . . . 0.0 110.115 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -109.13 47.9 0.9 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.317 -0.865 . . . . 0.0 110.225 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CLG . . . . . 0.448 ' O ' ' O ' ' A' ' 5' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.531 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 5.8 mt -46.48 173.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.169 -0.957 . . . . 0.0 110.221 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.427 ' C ' ' HG3' ' A' ' 7' ' ' ARG . 15.2 mm -143.89 115.47 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.197 -0.939 . . . . 0.0 110.297 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.427 ' HG3' ' C ' ' A' ' 6' ' ' ILE . 1.4 mtp-105 -129.68 111.28 12.51 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.254 -0.904 . . . . 0.0 110.156 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.528 ' CB ' ' HA ' ' A' ' 19' ' ' THR . 52.9 p90 -130.57 176.64 8.0 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.218 -0.926 . . . . 0.0 110.319 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.466 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 30.6 m-85 -146.3 89.53 1.87 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.307 -0.871 . . . . 0.0 110.184 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.426 ' C ' ' O ' ' A' ' 9' ' ' PHE . 33.6 t80 -42.42 106.86 0.07 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.312 -0.868 . . . . 0.0 110.351 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.418 ' HB3' ' OD1' ' A' ' 14' ' ' ASP . 1.0 OUTLIER -106.11 96.23 6.33 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.256 -0.903 . . . . 0.0 110.144 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.97 -26.7 59.78 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.166 -0.959 . . . . 0.0 110.243 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -50.85 -75.54 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.231 -0.918 . . . . 0.0 109.372 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 31.5 p-10 -78.44 0.52 25.5 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.4 -0.813 . . . . 0.0 109.476 178.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.489 ' O ' ' CD2' ' A' ' 16' ' ' LEU . . . 57.97 62.18 6.59 Favored Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.367 -1.493 . . . . 0.0 109.367 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.627 ' CD1' ' CZ ' ' B' ' 9' ' ' PHE . 0.5 OUTLIER -142.48 105.97 4.64 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.29 -1.124 . . . . 0.0 110.111 -179.795 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.481 ' N ' ' O ' ' A' ' 16' ' ' LEU . 1.6 tt0 -55.89 101.64 0.06 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.441 -0.787 . . . . 0.0 110.544 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.528 ' HA ' ' CB ' ' A' ' 8' ' ' TYR . 17.3 m -116.59 90.46 3.34 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.309 -0.869 . . . . 0.0 109.812 179.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.57 ' CD2' ' HD2' ' B' ' 7' ' ' ARG . 0.2 OUTLIER -89.53 124.28 34.38 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.32 -0.862 . . . . 0.0 110.387 -179.663 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.531 ' CG2' ' O ' ' A' ' 5' ' ' ILE . 1.9 p -121.6 158.95 24.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.288 -0.882 . . . . 0.0 110.262 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.459 ' HA ' ' HA ' ' B' ' 5' ' ' ILE . 19.6 t80 -114.18 112.65 23.52 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.25 -0.906 . . . . 0.0 110.027 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.44 -108.43 0.01 OUTLIER Glycine 0 N--CA 1.489 2.201 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 121.23 -12.72 9.67 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 97.7 m -121.29 115.11 22.36 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.338 -1.095 . . . . 0.0 110.167 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 119.84 -1.787 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.406 ' HE2' ' HB2' ' B' ' 2' ' ' LYS . 1.6 mppt? 55.17 65.81 1.39 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.215 -0.928 . . . . 0.0 110.155 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.43 -166.19 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.275 -0.891 . . . . 0.0 110.291 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.458 ' HG3' ' HA2' ' B' ' 23' ' ' GLY . 0.0 OUTLIER -155.29 -152.44 0.4 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.268 -0.895 . . . . 0.0 110.226 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.459 ' HA ' ' HA ' ' A' ' 22' ' ' TYR . 15.2 mt -82.61 86.66 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.138 -0.976 . . . . 0.0 110.113 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.519 ' CG2' HG13 ' A' ' 21' ' ' VAL . 2.0 tt -54.01 133.46 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.174 -0.954 . . . . 0.0 110.091 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . 0.57 ' HD2' ' CD2' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -102.32 96.73 7.15 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.164 -0.96 . . . . 0.0 110.273 -179.812 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . 0.557 ' CE2' HG23 ' B' ' 19' ' ' THR . 0.3 OUTLIER -80.11 63.41 4.6 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.249 -0.907 . . . . 0.0 110.129 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . 0.627 ' CZ ' ' CD1' ' A' ' 16' ' ' LEU . 78.7 t80 -89.96 118.7 29.73 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.254 -0.904 . . . . 0.0 109.941 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . 0.579 ' CD1' ' HA ' ' B' ' 17' ' ' ABA . 7.5 t80 -124.38 146.61 48.76 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.261 -0.9 . . . . 0.0 110.535 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . 0.575 ' O ' ' CE1' ' B' ' 10' ' ' TYR . 12.3 t-20 -122.13 -156.95 0.71 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.389 -0.819 . . . . 0.0 109.613 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.26 -142.95 0.16 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.126 -0.984 . . . . 0.0 110.245 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.462 ' CE ' ' O ' ' B' ' 13' ' ' LYS . 0.0 OUTLIER 47.21 23.51 0.33 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.325 -0.86 . . . . 0.0 110.147 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' B' ' 13' ' ' LYS . 14.7 t0 42.67 56.5 3.86 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.305 -0.872 . . . . 0.0 109.97 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . 0.553 ' O ' ' C ' ' B' ' 16' ' ' CLH . . . -79.64 45.68 2.94 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 110.376 -1.09 . . . . 0.0 110.376 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' CLH . . . . . 0.553 ' C ' ' O ' ' B' ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ABA . . . . . 0.579 ' HA ' ' CD1' ' B' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.519 ' CB ' ' O ' ' B' ' 9' ' ' PHE . 0.0 OUTLIER -95.94 80.11 3.31 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.022 -1.049 . . . . 0.0 110.144 179.85 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.557 HG23 ' CE2' ' B' ' 8' ' ' TYR . 21.5 p -105.8 125.34 50.88 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.19 -0.944 . . . . 0.0 110.239 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.516 ' CZ ' ' HG2' ' B' ' 7' ' ' ARG . 35.2 p90 -150.12 154.64 38.41 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.267 -0.896 . . . . 0.0 110.308 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.494 ' CG1' ' HA ' ' B' ' 6' ' ' ILE . 4.2 m -117.32 -175.64 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.321 -0.862 . . . . 0.0 110.107 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . 0.405 ' OH ' HD12 ' B' ' 5' ' ' ILE . 8.0 p90 -143.9 22.32 1.76 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.176 -0.953 . . . . 0.0 110.286 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.458 ' HA2' ' HG3' ' B' ' 4' ' ' ARG . . . -67.82 -52.03 31.51 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.1 48.59 0.6 Allowed Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.521 -1.431 . . . . 0.0 109.521 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 49.0 t -86.13 -73.24 0.46 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.325 -1.103 . . . . 0.0 110.185 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 119.882 -1.761 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -148.56 48.0 1.03 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.343 -0.848 . . . . 0.0 110.156 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -110.0 57.46 0.61 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.303 -0.873 . . . . 0.0 110.245 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CLG . . . . . 0.473 ' O ' ' N ' ' A' ' 6' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.502 ' O ' ' N ' ' A' ' 7' ' ' ARG . 6.8 tt -56.6 86.37 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.246 -0.909 . . . . 0.0 110.221 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.473 ' N ' ' O ' ' A' ' 4' ' ' CLG . 0.0 OUTLIER -56.7 84.31 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.255 -0.903 . . . . 0.0 110.283 -179.858 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.503 ' CB ' ' O ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -75.19 81.95 2.34 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.246 -0.909 . . . . 0.0 109.963 179.758 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.558 ' CZ ' HG22 ' A' ' 19' ' ' THR . 6.8 m-85 -96.98 125.77 41.64 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.244 -0.91 . . . . 0.0 110.51 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.523 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 17.5 m-85 -141.97 125.91 17.19 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.288 -0.882 . . . . 0.0 109.785 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.47 ' HA ' ' HA ' ' A' ' 17' ' ' ABA . 11.9 t80 -120.71 148.87 43.36 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.179 -0.951 . . . . 0.0 110.731 -179.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.47 ' O ' ' N ' ' A' ' 15' ' ' GLY . 48.2 t-20 -137.07 90.23 2.51 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.451 -0.781 . . . . 0.0 109.882 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.55 -36.79 36.15 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.34 -0.85 . . . . 0.0 110.338 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.507 ' CE ' ' HA ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -49.11 -80.65 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.158 -0.964 . . . . 0.0 109.371 179.783 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -74.69 -2.0 24.33 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.356 -0.84 . . . . 0.0 109.362 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 11' ' ' ASN . . . 60.21 71.11 0.83 Allowed Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.442 ' O ' ' HA ' ' A' ' 10' ' ' TYR . 1.5 tt -139.43 127.73 22.7 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.233 -1.157 . . . . 0.0 110.293 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ABA . . . . . 0.47 ' HA ' ' HA ' ' A' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.442 ' OE1' ' O ' ' A' ' 7' ' ' ARG . 0.8 OUTLIER -75.31 147.52 40.08 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.243 -0.911 . . . . 0.0 110.021 179.744 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.558 HG22 ' CZ ' ' A' ' 8' ' ' TYR . 20.2 m -147.42 64.96 1.14 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.274 -0.891 . . . . 0.0 110.349 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.559 ' CD1' ' HG2' ' B' ' 7' ' ' ARG . 14.5 m-30 -90.89 151.67 21.04 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.279 -0.888 . . . . 0.0 110.055 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.581 ' CG2' ' CG1' ' B' ' 6' ' ' ILE . 13.0 m -143.03 -162.74 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.15 -0.968 . . . . 0.0 110.413 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.429 ' HB2' ' O ' ' A' ' 21' ' ' VAL . 3.3 t80 -176.59 94.57 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.233 -0.917 . . . . 0.0 110.15 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' B' ' 4' ' ' ARG . . . -108.78 -167.67 20.83 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.446 ' CA ' ' HG2' ' B' ' 4' ' ' ARG . . . -152.46 -97.73 0.16 Allowed Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' A' ' 24' ' ' GLY . 2.9 t 43.98 27.31 0.18 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.195 -1.179 . . . . 0.0 110.248 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 119.883 -1.76 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 11.5 mttm 57.7 84.97 0.09 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.243 -0.911 . . . . 0.0 110.191 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.18 114.27 3.34 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.249 -0.907 . . . . 0.0 110.268 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.448 ' O ' ' O ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -172.71 87.31 0.07 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.183 -0.948 . . . . 0.0 110.191 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.493 ' C ' ' CD1' ' B' ' 5' ' ' ILE . 0.0 OUTLIER -154.5 137.24 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.289 -0.882 . . . . 0.0 110.272 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.581 ' CG1' ' CG2' ' A' ' 21' ' ' VAL . 34.1 pt -123.56 151.01 27.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.327 -0.858 . . . . 0.0 110.017 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . 0.559 ' HG2' ' CD1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -113.27 73.35 0.81 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.278 -0.889 . . . . 0.0 110.411 -179.902 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . 0.464 ' HB2' ' O ' ' A' ' 19' ' ' THR . 1.0 OUTLIER -64.93 142.94 58.26 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.135 -0.978 . . . . 0.0 109.972 179.716 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . 0.506 ' HB3' ' CB ' ' B' ' 18' ' ' GLN . 0.2 OUTLIER -143.92 91.17 2.2 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.129 -0.982 . . . . 0.0 110.334 -179.778 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . 0.474 ' O ' ' O ' ' B' ' 11' ' ' ASN . 30.2 t80 -54.68 -72.34 0.07 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.24 -0.912 . . . . 0.0 110.338 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . 0.509 ' ND2' ' OE1' ' B' ' 18' ' ' GLN . 2.1 p30 48.46 178.44 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.433 -0.792 . . . . 0.0 110.44 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.37 -98.85 0.1 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.154 -0.966 . . . . 0.0 110.387 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' B' ' 15' ' ' GLY . 0.1 OUTLIER 43.55 35.68 1.03 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.033 -1.042 . . . . 0.0 110.211 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . 0.464 ' C ' ' O ' ' B' ' 13' ' ' LYS . 2.3 p30 36.46 30.08 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.727 -0.608 . . . . 0.0 110.763 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . 0.553 ' O ' ' C ' ' B' ' 16' ' ' CLH . . . -124.88 -31.07 0.9 Allowed Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.617 -1.393 . . . . 0.0 109.617 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' CLH . . . . . 0.553 ' C ' ' O ' ' B' ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ABA . . . . . 0.464 ' O ' ' O ' ' B' ' 9' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.509 ' OE1' ' ND2' ' B' ' 11' ' ' ASN . 17.7 mt-30 41.93 70.04 0.31 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.296 -0.877 . . . . 0.0 110.182 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.477 ' C ' ' CD1' ' B' ' 20' ' ' PHE . 85.9 m -104.0 135.93 44.59 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.219 -0.926 . . . . 0.0 110.286 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.57 ' HB3' ' CE2' ' B' ' 22' ' ' TYR . 3.5 m-85 -120.69 90.49 3.33 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.232 -0.917 . . . . 0.0 110.045 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.444 ' O ' HG21 ' B' ' 21' ' ' VAL . 14.6 m -98.16 124.14 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.26 -0.9 . . . . 0.0 110.372 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . 0.588 ' CD1' ' N ' ' B' ' 22' ' ' TYR . 0.0 OUTLIER -177.33 66.78 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.277 -0.889 . . . . 0.0 110.314 179.844 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -48.87 119.42 5.9 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.474 -1.451 . . . . 0.0 109.474 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.74 50.54 0.76 Allowed Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 36.7 t -107.3 118.47 36.81 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.264 -1.139 . . . . 0.0 110.206 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 119.826 -1.796 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MPT . . . . . 0.593 ' C ' ' CD ' ' A' ' 2' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.593 ' CD ' ' C ' ' A' ' 1' ' ' MPT . 0.0 OUTLIER 36.15 42.51 0.18 Allowed 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.703 -0.623 . . . . 0.0 110.81 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.457 ' O ' ' HD2' ' A' ' 4' ' ' CLG . . . -110.47 37.74 2.66 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.296 -0.877 . . . . 0.0 110.209 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CLG . . . . . 0.575 ' HB3' ' HA2' ' A' ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.511 ' O ' ' N ' ' A' ' 7' ' ' ARG . 22.5 mt -75.39 179.44 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.29 -0.881 . . . . 0.0 109.814 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.485 ' HA ' ' HA ' ' A' ' 21' ' ' VAL . 2.5 mt -40.05 94.24 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.329 -0.857 . . . . 0.0 110.51 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.638 ' CB ' ' CE2' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -125.29 135.47 52.53 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.302 -0.874 . . . . 0.0 110.177 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.612 ' CZ ' ' CG2' ' A' ' 19' ' ' THR . 9.6 m-85 -126.14 110.02 13.02 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.422 -0.799 . . . . 0.0 110.293 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.529 ' CD1' ' N ' ' A' ' 9' ' ' PHE . 14.7 m-85 -128.05 92.67 3.5 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.237 -0.915 . . . . 0.0 109.818 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.477 ' HA ' ' HA ' ' A' ' 17' ' ' ABA . 8.9 t80 -97.46 85.33 3.61 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.269 -0.894 . . . . 0.0 110.612 -179.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.504 ' ND2' ' OD1' ' A' ' 14' ' ' ASP . 23.1 p30 -68.23 115.4 7.64 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.255 -0.903 . . . . 0.0 109.516 179.413 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.46 -23.5 66.28 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.288 -0.883 . . . . 0.0 110.302 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.85 -72.78 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.156 -0.965 . . . . 0.0 109.112 179.55 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.504 ' OD1' ' ND2' ' A' ' 11' ' ' ASN . 17.0 p-10 -87.67 0.28 55.9 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.4 -0.813 . . . . 0.0 109.165 178.626 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.22 67.09 2.31 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.476 ' HB3' ' OD1' ' A' ' 11' ' ' ASN . 20.2 tp -131.48 102.61 6.0 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.123 -1.222 . . . . 0.0 110.364 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ABA . . . . . 0.477 ' HA ' ' HA ' ' A' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.517 ' HA ' ' CB ' ' B' ' 9' ' ' PHE . 18.7 tt0 -69.87 103.03 2.09 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.28 -0.887 . . . . 0.0 110.302 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.612 ' CG2' ' CZ ' ' A' ' 8' ' ' TYR . 1.2 m -115.76 101.31 8.7 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.443 -0.786 . . . . 0.0 109.835 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.638 ' CE2' ' CB ' ' A' ' 7' ' ' ARG . 2.5 p90 -116.53 117.85 31.01 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.957 -1.089 . . . . 0.0 109.75 179.617 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.601 ' O ' ' CD1' ' A' ' 22' ' ' TYR . 15.7 m -113.52 91.3 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.286 -0.884 . . . . 0.0 110.525 -179.115 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.615 ' HB3' ' CA ' ' B' ' 5' ' ' ILE . 0.4 OUTLIER 159.75 92.27 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -179.854 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.575 ' HA2' ' HB3' ' A' ' 4' ' ' CLG . . . -69.87 -70.14 1.24 Allowed Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 -179.187 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.524 ' O ' ' CA ' ' A' ' 2' ' ' LYS . . . 51.87 -103.09 0.1 OUTLIER Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.857 -1.297 . . . . 0.0 109.857 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.439 ' HA ' ' HB2' ' A' ' 1' ' ' MPT . 0.1 OUTLIER -173.54 -83.75 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.208 -1.172 . . . . 0.0 110.133 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 119.898 -1.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.402 ' O ' ' HG3' ' B' ' 2' ' ' LYS . 11.2 tptt -97.34 50.47 1.07 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.299 -0.876 . . . . 0.0 110.37 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . 0.472 ' HA ' ' HA2' ' A' ' 24' ' ' GLY . . . -93.71 127.67 39.53 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.208 -0.932 . . . . 0.0 110.28 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.6 ' HB2' ' CD2' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -118.31 138.9 52.07 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.256 -0.903 . . . . 0.0 110.312 -179.775 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.615 ' CA ' ' HB3' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -143.19 124.73 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.262 -0.899 . . . . 0.0 110.582 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.536 ' CG2' ' O ' ' B' ' 6' ' ' ILE . 2.3 tt -153.02 119.07 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.18 -0.95 . . . . 0.0 110.063 179.532 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . 0.517 ' HB2' ' CD2' ' B' ' 20' ' ' PHE . 2.6 mmm180 -100.69 102.5 13.62 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.415 -0.803 . . . . 0.0 110.866 -179.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . 0.583 ' CE1' ' OG1' ' B' ' 19' ' ' THR . 0.2 OUTLIER -102.95 100.47 10.43 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.449 -0.782 . . . . 0.0 109.181 179.246 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . 0.517 ' CB ' ' HA ' ' A' ' 18' ' ' GLN . 11.2 p90 -142.25 159.3 42.51 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.684 -1.26 . . . . 0.0 111.881 -178.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . 0.482 ' HA ' ' HB3' ' B' ' 17' ' ' ABA . 8.6 t80 -124.11 -176.0 3.38 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . 0.523 ' OD1' ' CA ' ' B' ' 17' ' ' ABA . 0.9 OUTLIER 177.17 -177.76 0.17 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.991 -1.068 . . . . 0.0 110.726 -179.804 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.8 -152.9 0.29 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.424 -0.798 . . . . 0.0 110.373 179.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.498 ' O ' ' CB ' ' B' ' 14' ' ' ASP . 1.4 mtpt -63.37 140.49 58.88 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.367 -0.833 . . . . 0.0 110.452 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' B' ' 13' ' ' LYS . 8.4 t70 69.46 3.18 4.05 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.361 -0.837 . . . . 0.0 110.707 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . 0.59 ' O ' ' C ' ' B' ' 16' ' ' CLH . . . -87.79 8.12 78.84 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.86 -1.296 . . . . 0.0 109.86 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' CLH . . . . . 0.59 ' C ' ' O ' ' B' ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ABA . . . . . 0.523 ' CA ' ' OD1' ' B' ' 11' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.455 ' OE1' ' HA ' ' B' ' 18' ' ' GLN . 1.2 tp-100 174.79 -169.82 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.323 -0.861 . . . . 0.0 110.437 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.583 ' OG1' ' CE1' ' B' ' 8' ' ' TYR . 16.2 m -138.43 114.68 10.28 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.441 -0.787 . . . . 0.0 109.795 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.517 ' CD2' ' HB2' ' B' ' 7' ' ' ARG . 5.8 m-85 -89.79 134.3 34.26 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.241 -0.912 . . . . 0.0 110.5 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.442 ' O ' ' HB3' ' B' ' 22' ' ' TYR . 7.3 p -150.68 121.41 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.318 -0.864 . . . . 0.0 110.107 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . 0.588 ' O ' ' CG ' ' B' ' 22' ' ' TYR . 23.4 p90 -176.45 103.49 0.06 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.042 -1.036 . . . . 0.0 110.171 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.15 161.4 54.35 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.863 -1.295 . . . . 0.0 109.863 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.88 92.88 0.09 OUTLIER Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -90.02 -23.33 21.51 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.31 -1.112 . . . . 0.0 110.389 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.314 0 O-C-N 119.943 -1.723 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MPT . . . . . 0.454 ' O ' ' HB2' ' A' ' 2' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' A' ' 1' ' ' MPT . 20.3 mttp 56.89 47.2 18.29 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.23 -0.919 . . . . 0.0 110.027 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.54 ' O ' ' C ' ' A' ' 4' ' ' CLG . . . -110.37 64.18 0.61 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.328 -0.858 . . . . 0.0 110.08 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CLG . . . . . 0.54 ' C ' ' O ' ' A' ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.513 ' N ' ' O ' ' A' ' 3' ' ' ALA . 20.4 tt -93.64 174.73 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.267 -0.896 . . . . 0.0 110.328 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.533 ' HA ' ' CG2' ' A' ' 21' ' ' VAL . 77.9 mt -136.42 72.84 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.28 -0.888 . . . . 0.0 110.364 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.577 ' HG2' ' CE2' ' A' ' 9' ' ' PHE . 38.5 ttt-85 -59.22 81.52 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.154 -0.966 . . . . 0.0 109.954 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.577 ' O ' ' CD1' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -116.97 148.71 41.18 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.189 -0.944 . . . . 0.0 109.942 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.577 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 43.1 m-85 -143.28 53.81 1.35 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.16 -0.962 . . . . 0.0 110.926 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.578 ' CZ ' ' OD1' ' A' ' 11' ' ' ASN . 24.1 t80 58.97 175.43 0.07 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.234 -0.916 . . . . 0.0 111.003 179.141 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.617 ' O ' ' N ' ' A' ' 15' ' ' GLY . 20.1 p-10 -90.89 -33.55 15.59 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.586 -0.697 . . . . 0.0 112.062 -178.095 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.514 ' C ' ' O ' ' A' ' 11' ' ' ASN . . . -29.2 -51.02 0.1 Allowed 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.753 -0.592 . . . . 0.0 111.955 -178.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.418 ' HE2' ' NE2' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -44.06 -85.2 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.029 -1.044 . . . . 0.0 110.17 -179.831 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.521 ' O ' ' CD2' ' A' ' 16' ' ' LEU . 1.8 m-20 -85.28 7.12 23.37 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.381 -0.825 . . . . 0.0 109.509 179.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.617 ' N ' ' O ' ' A' ' 11' ' ' ASN . . . 88.46 -18.85 39.52 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.899 -1.28 . . . . 0.0 109.899 -179.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.594 ' CD1' ' CE1' ' B' ' 9' ' ' PHE . 0.2 OUTLIER -121.83 127.13 50.2 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.071 -1.252 . . . . 0.0 110.261 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ABA . . . . . 0.593 ' N ' ' CB ' ' A' ' 11' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.474 ' O ' ' HB2' ' A' ' 8' ' ' TYR . 1.9 mt-30 -78.39 137.56 38.07 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.234 -0.916 . . . . 0.0 110.032 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.481 HG22 ' CB ' ' B' ' 8' ' ' TYR . 17.4 m -152.7 91.17 1.53 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.3 -0.875 . . . . 0.0 110.359 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.56 ' CD1' ' HD3' ' B' ' 7' ' ' ARG . 5.4 t80 -89.67 126.39 35.62 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.278 -0.889 . . . . 0.0 110.086 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.533 ' CG2' ' HA ' ' A' ' 6' ' ' ILE . 75.6 t -139.15 159.22 29.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.216 -0.927 . . . . 0.0 110.512 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.609 ' CG ' ' O ' ' A' ' 22' ' ' TYR . 3.3 p90 -155.44 110.34 2.97 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.247 -0.908 . . . . 0.0 109.956 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.461 ' O ' ' HB2' ' B' ' 4' ' ' ARG . . . -110.55 116.89 4.48 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.667 -1.373 . . . . 0.0 109.667 -179.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.468 ' O ' ' HG2' ' B' ' 4' ' ' ARG . . . 143.83 57.92 0.02 OUTLIER Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.785 -1.326 . . . . 0.0 109.785 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 17.5 t -92.0 107.43 19.2 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.254 -1.145 . . . . 0.0 110.209 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.331 0 O-C-N 119.861 -1.774 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MPT . . . . . 0.436 ' HA1' ' CB ' ' B' ' 25' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.45 ' O ' ' O ' ' B' ' 3' ' ' ALA . 3.8 tppt? -125.4 -121.44 0.26 Allowed 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.208 -0.932 . . . . 0.0 109.504 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . 0.45 ' O ' ' O ' ' B' ' 2' ' ' LYS . . . -44.53 170.28 0.01 OUTLIER 'General case' 0 C--N 1.285 -2.227 0 O-C-N 121.6 -0.687 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.482 ' CD ' ' N ' ' B' ' 4' ' ' ARG . 0.0 OUTLIER -155.15 39.81 0.41 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.326 -0.859 . . . . 0.0 110.058 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.455 HD12 HG22 ' B' ' 5' ' ' ILE . 3.6 tt -112.77 116.69 53.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.315 -0.866 . . . . 0.0 110.057 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.455 ' O ' ' O ' ' A' ' 21' ' ' VAL . 84.4 mt -116.75 125.4 73.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.157 -0.965 . . . . 0.0 110.476 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . 0.56 ' HD3' ' CD1' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -88.04 105.14 17.28 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.25 -0.906 . . . . 0.0 110.071 179.758 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . 0.481 ' CB ' HG22 ' A' ' 19' ' ' THR . 1.7 m-85 -80.31 120.23 24.09 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.204 -0.935 . . . . 0.0 110.345 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . 0.594 ' CE1' ' CD1' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -118.95 37.21 4.18 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.262 -0.899 . . . . 0.0 109.973 179.888 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 17' ' ' ABA . 0.9 OUTLIER -51.54 122.29 7.79 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.406 -0.809 . . . . 0.0 110.368 -179.685 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . 0.498 ' OD1' ' N ' ' B' ' 12' ' ' ALA . 28.2 t30 -100.83 171.76 7.47 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.273 -0.892 . . . . 0.0 110.233 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . 0.498 ' N ' ' OD1' ' B' ' 11' ' ' ASN . . . -84.16 -155.65 0.2 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.255 -0.903 . . . . 0.0 110.2 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.19 -89.98 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.223 -0.923 . . . . 0.0 110.223 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' B' ' 12' ' ' ALA . 24.8 m-20 -147.18 13.07 1.09 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.16 -0.962 . . . . 0.0 110.289 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -102.31 31.94 8.12 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.444 -1.462 . . . . 0.0 109.444 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' CLH . . . . . 0.463 ' HG3' ' HB2' ' B' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ABA . . . . . 0.416 ' HB3' ' O ' ' B' ' 16' ' ' CLH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.526 ' CB ' ' HB3' ' B' ' 9' ' ' PHE . 4.8 mt-30 -114.1 59.63 0.67 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.119 -0.988 . . . . 0.0 109.975 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.466 ' HA ' ' O ' ' B' ' 7' ' ' ARG . 8.4 t -89.77 161.78 15.86 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.238 -0.914 . . . . 0.0 110.291 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.473 ' CD1' ' N ' ' B' ' 20' ' ' PHE . 14.3 m-85 -102.89 178.42 4.57 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.262 -0.899 . . . . 0.0 110.281 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.414 ' CG2' ' O ' ' B' ' 21' ' ' VAL . 35.6 m -132.57 84.01 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.22 -0.925 . . . . 0.0 110.243 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . 0.445 ' HB2' ' O ' ' B' ' 5' ' ' ILE . 56.2 m-85 -84.54 -32.45 23.85 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.294 -0.879 . . . . 0.0 110.131 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -101.35 -147.46 20.35 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.39 101.63 0.18 Allowed Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' CYS . . . . . 0.436 ' CB ' ' HA1' ' B' ' 1' ' ' MPT . 40.4 t -176.06 -35.51 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.184 -1.186 . . . . 0.0 110.294 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.303 0 O-C-N 119.829 -1.795 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.405 ' HE3' ' HD3' ' B' ' 2' ' ' LYS . 0.0 OUTLIER -119.33 56.21 0.93 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.264 -0.898 . . . . 0.0 110.326 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -110.41 -120.09 0.28 Allowed 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.241 -0.912 . . . . 0.0 109.583 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' CLG . . . . . 0.464 ' HG2' ' O ' ' A' ' 4' ' ' CLG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.532 ' CG2' ' N ' ' A' ' 6' ' ' ILE . 0.4 OUTLIER -52.35 -174.49 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.169 -0.957 . . . . 0.0 109.531 179.879 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.538 ' HA ' ' CG2' ' A' ' 21' ' ' VAL . 15.1 mt -155.5 116.07 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.106 -0.996 . . . . 0.0 110.659 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.2 128.39 55.05 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.408 -0.808 . . . . 0.0 109.597 179.439 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.559 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 8.6 p90 -152.2 177.35 10.62 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.097 -1.002 . . . . 0.0 111.021 -179.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.501 ' O ' ' CG ' ' A' ' 17' ' ' ABA . 1.1 m-85 -134.16 -160.28 1.04 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.577 -0.702 . . . . 0.0 109.195 179.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -150.96 123.24 8.33 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.175 -0.953 . . . . 0.0 110.271 179.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.47 ' HB2' ' O ' ' A' ' 16' ' ' LEU . 1.7 m-20 -125.13 77.93 1.67 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.275 -0.891 . . . . 0.0 109.951 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.536 ' O ' ' N ' ' A' ' 14' ' ' ASP . . . -60.53 -135.84 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.299 -0.875 . . . . 0.0 109.913 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.468 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 22.4 mttp 66.32 -60.14 0.32 Allowed 'General case' 0 N--CA 1.495 1.806 0 CA-C-O 122.013 0.911 . . . . 0.0 109.062 -179.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.536 ' N ' ' O ' ' A' ' 12' ' ' ALA . 30.0 m-20 -113.47 3.13 15.65 Favored 'General case' 0 C--N 1.293 -1.848 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 178.332 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.42 72.12 0.86 Allowed Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.774 -1.331 . . . . 0.0 109.774 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.47 ' O ' ' HB2' ' A' ' 11' ' ' ASN . 5.2 tt -150.2 120.59 7.37 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.183 -1.187 . . . . 0.0 110.19 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ABA . . . . . 0.501 ' CG ' ' O ' ' A' ' 9' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.445 ' O ' ' HB2' ' A' ' 8' ' ' TYR . 0.2 OUTLIER -91.86 149.95 21.31 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.141 -0.974 . . . . 0.0 110.208 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.532 ' HA ' ' CB ' ' A' ' 8' ' ' TYR . 50.6 m -148.89 83.41 1.45 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.241 -0.912 . . . . 0.0 110.012 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -89.35 134.52 34.04 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.275 -0.891 . . . . 0.0 110.08 -179.614 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.538 ' CG2' ' HA ' ' A' ' 6' ' ' ILE . 99.5 t -130.76 172.02 16.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.417 -0.802 . . . . 0.0 110.024 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.473 ' CD1' HG12 ' B' ' 5' ' ' ILE . 10.3 t80 -166.58 135.56 2.95 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.329 -0.857 . . . . 0.0 110.059 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -77.93 147.16 31.71 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.615 -1.394 . . . . 0.0 109.615 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.61 130.76 5.44 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.1 m -121.26 160.32 24.14 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.182 -1.187 . . . . 0.0 110.356 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 120.018 -1.676 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.405 ' HD3' ' HE3' ' A' ' 2' ' ' LYS . 27.9 mttm -100.45 41.23 1.19 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.239 -0.913 . . . . 0.0 110.254 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -110.3 75.75 0.95 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.399 -0.813 . . . . 0.0 109.968 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 -119.19 125.07 48.33 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.243 -0.91 . . . . 0.0 110.365 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.528 HG21 ' N ' ' B' ' 6' ' ' ILE . 3.1 mt -113.38 170.54 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.32 -0.863 . . . . 0.0 109.948 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.528 ' N ' HG21 ' B' ' 5' ' ' ILE . 7.0 mm -139.29 127.74 27.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.223 -0.923 . . . . 0.0 110.31 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . 0.517 ' O ' ' NE2' ' B' ' 18' ' ' GLN . 0.0 OUTLIER -113.55 91.21 3.56 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.281 -0.887 . . . . 0.0 109.847 179.626 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . 0.634 ' CE1' ' CG2' ' B' ' 19' ' ' THR . 0.5 OUTLIER -98.69 139.13 34.86 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.382 -0.824 . . . . 0.0 110.288 -179.695 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . 0.468 ' HB3' ' OE1' ' B' ' 18' ' ' GLN . 46.2 t80 -150.49 98.06 2.6 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.158 -0.964 . . . . 0.0 110.164 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . 0.472 ' HB3' ' O ' ' A' ' 17' ' ' ABA . 16.9 t80 -66.35 135.25 54.09 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.22 -0.925 . . . . 0.0 110.31 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' B' ' 10' ' ' TYR . 33.0 t30 179.51 -162.72 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.507 -0.746 . . . . 0.0 109.497 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -91.14 -12.56 35.13 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.147 -0.971 . . . . 0.0 109.957 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.488 ' O ' ' CB ' ' B' ' 14' ' ' ASP . 23.9 tttt -63.58 140.93 58.92 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.426 -0.796 . . . . 0.0 110.479 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' B' ' 13' ' ' LYS . 0.2 OUTLIER 70.11 1.89 3.71 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.282 -0.886 . . . . 0.0 110.559 179.819 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.34 -50.34 3.74 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' CLH . . . . . 0.527 ' O ' ' C ' ' B' ' 17' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ABA . . . . . 0.527 ' C ' ' O ' ' B' ' 16' ' ' CLH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.517 ' NE2' ' O ' ' B' ' 7' ' ' ARG . 0.3 OUTLIER -148.12 147.58 29.65 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.386 -0.821 . . . . 0.0 109.782 -179.904 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.634 ' CG2' ' CE1' ' B' ' 8' ' ' TYR . 20.5 m -160.6 97.43 1.2 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.961 -1.087 . . . . 0.0 110.858 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.582 ' CD1' ' O ' ' B' ' 20' ' ' PHE . 28.3 p90 -150.19 134.12 16.9 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.298 -0.876 . . . . 0.0 109.882 179.274 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.483 ' CG1' ' O ' ' B' ' 5' ' ' ILE . 11.0 p -150.13 173.19 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.264 -0.898 . . . . 0.0 110.491 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . 0.401 ' N ' ' CG2' ' B' ' 21' ' ' VAL . 10.0 t80 -78.63 97.05 5.67 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.324 -0.86 . . . . 0.0 109.911 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.85 154.64 53.07 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -106.19 -78.63 1.18 Allowed Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 27.8 p -148.19 62.24 1.11 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.317 -1.107 . . . . 0.0 110.176 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 119.817 -1.802 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MPT . . . . . 0.472 ' O ' ' HB2' ' B' ' 4' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.524 ' N ' ' HA3' ' A' ' 23' ' ' GLY . 6.0 mmtm -115.06 -116.52 0.33 Allowed 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.271 -0.893 . . . . 0.0 110.529 -179.701 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.581 ' O ' ' N ' ' A' ' 5' ' ' ILE . . . -111.85 80.03 1.28 Allowed 'General case' 0 C--N 1.287 -2.139 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' CLG . . . . . 0.555 ' HB3' ' HA2' ' A' ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.581 ' N ' ' O ' ' A' ' 3' ' ' ALA . 21.6 mm 59.91 155.27 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 120.76 -1.213 . . . . 0.0 110.341 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.625 ' CD1' ' CE1' ' A' ' 8' ' ' TYR . 1.5 tt -98.5 131.88 44.74 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.203 -0.936 . . . . 0.0 110.136 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.41 ' HB2' ' O ' ' A' ' 20' ' ' PHE . 0.6 OUTLIER -110.86 102.81 11.29 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.173 -0.954 . . . . 0.0 110.151 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.625 ' CE1' ' CD1' ' A' ' 6' ' ' ILE . 4.8 m-85 -114.16 132.93 55.91 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.296 -0.878 . . . . 0.0 110.189 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.438 ' O ' ' HA ' ' A' ' 17' ' ' ABA . 48.0 m-85 -146.99 68.74 1.16 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.234 -0.916 . . . . 0.0 110.207 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.412 ' HA ' ' HA ' ' A' ' 17' ' ' ABA . 2.0 t80 -62.56 82.86 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.244 -0.91 . . . . 0.0 110.216 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.473 ' O ' ' N ' ' A' ' 15' ' ' GLY . 1.0 OUTLIER -85.91 81.71 8.43 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.241 -0.912 . . . . 0.0 110.172 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.99 -38.28 72.83 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.285 -0.884 . . . . 0.0 110.221 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.419 ' HG2' ' N ' ' A' ' 14' ' ' ASP . 33.6 ttmt -49.17 -81.09 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.166 -0.959 . . . . 0.0 109.415 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.419 ' N ' ' HG2' ' A' ' 13' ' ' LYS . 30.6 t0 -73.59 -2.88 24.74 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.225 -0.922 . . . . 0.0 109.445 178.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 11' ' ' ASN . . . 61.55 73.45 0.5 Allowed Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.513 ' HG ' ' ND2' ' B' ' 11' ' ' ASN . 0.2 OUTLIER -147.96 69.09 1.11 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.266 -1.138 . . . . 0.0 110.207 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ABA . . . . . 0.438 ' HA ' ' O ' ' A' ' 9' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.503 ' CG ' HD23 ' A' ' 16' ' ' LEU . 4.3 mt-30 -63.12 139.11 58.74 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.233 -0.917 . . . . 0.0 110.259 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.605 ' CG2' ' CE2' ' B' ' 8' ' ' TYR . 2.6 m -140.29 81.06 1.79 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.268 -0.895 . . . . 0.0 110.284 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.577 ' CE1' ' HB3' ' B' ' 9' ' ' PHE . 60.6 m-85 -102.76 120.05 39.91 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.285 -0.884 . . . . 0.0 110.11 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.535 ' O ' ' CG2' ' B' ' 6' ' ' ILE . 5.5 t -146.52 100.07 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.132 -0.98 . . . . 0.0 109.971 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.612 ' CD1' ' HA ' ' B' ' 5' ' ' ILE . 15.6 p90 -179.17 137.36 0.14 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.274 -0.891 . . . . 0.0 110.108 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.555 ' HA2' ' HB3' ' A' ' 4' ' ' CLG . . . -43.25 128.72 5.67 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.759 -1.336 . . . . 0.0 109.759 -179.353 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.474 ' HA3' ' CD ' ' A' ' 4' ' ' CLG . . . -108.11 43.58 1.67 Allowed Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.6 p -127.66 25.38 6.04 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.237 -1.155 . . . . 0.0 110.216 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.331 0 O-C-N 119.823 -1.798 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MPT . . . . . 0.431 ' C ' ' HG2' ' B' ' 2' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.431 ' HG2' ' C ' ' B' ' 1' ' ' MPT . 13.5 mmtt -126.79 -121.76 0.25 Allowed 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.222 -0.924 . . . . 0.0 109.498 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . 0.472 ' O ' ' HA2' ' B' ' 23' ' ' GLY . . . -81.34 -157.71 0.19 Allowed 'General case' 0 C--N 1.285 -2.213 0 CA-C-O 121.339 0.59 . . . . 0.0 110.229 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.472 ' HB2' ' O ' ' A' ' 1' ' ' MPT . 30.0 mmt-85 -128.14 57.98 1.54 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.358 -0.839 . . . . 0.0 110.345 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.612 ' HA ' ' CD1' ' A' ' 22' ' ' TYR . 0.9 OUTLIER -126.26 46.76 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.331 -0.856 . . . . 0.0 110.105 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.535 ' CG2' ' O ' ' A' ' 21' ' ' VAL . 6.5 tp -89.53 131.24 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.052 -1.03 . . . . 0.0 111.136 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . 0.606 ' O ' ' CD1' ' B' ' 20' ' ' PHE . 8.8 ptt-85 -160.94 120.36 2.63 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.515 -0.741 . . . . 0.0 110.105 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . 0.625 ' CD1' ' N ' ' B' ' 8' ' ' TYR . 1.2 p90 -132.18 148.67 52.48 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.952 -1.093 . . . . 0.0 110.374 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . 0.577 ' HB3' ' CE1' ' A' ' 20' ' ' PHE . 13.5 p90 -150.17 129.27 12.69 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.292 -0.88 . . . . 0.0 110.449 -179.538 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . 0.419 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 5.4 t80 -89.42 158.32 17.79 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.381 -0.825 . . . . 0.0 110.177 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . 0.522 ' CB ' ' O ' ' B' ' 16' ' ' CLH . 0.6 OUTLIER -148.52 179.7 7.61 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.281 -0.887 . . . . 0.0 110.126 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' B' ' 14' ' ' ASP . . . -42.75 130.58 4.15 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.283 -0.886 . . . . 0.0 110.256 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.459 ' O ' ' HB2' ' B' ' 14' ' ' ASP . 0.1 OUTLIER -64.9 65.33 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.35 -0.844 . . . . 0.0 110.258 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . 0.521 ' N ' ' O ' ' B' ' 12' ' ' ALA . 2.6 t70 172.96 -28.76 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.388 -0.82 . . . . 0.0 109.822 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -94.28 -57.76 1.26 Allowed Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' CLH . . . . . 0.522 ' O ' ' CB ' ' B' ' 11' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ABA . . . . . 0.488 ' HB2' ' O ' ' B' ' 16' ' ' CLH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.42 168.14 1.84 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.132 -0.98 . . . . 0.0 110.839 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.553 ' HA ' ' CB ' ' B' ' 8' ' ' TYR . 1.8 m -130.14 143.55 50.85 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.503 -0.748 . . . . 0.0 109.735 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.606 ' CD1' ' O ' ' B' ' 7' ' ' ARG . 5.5 m-85 -89.66 156.72 18.38 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.175 -0.953 . . . . 0.0 109.858 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.569 ' O ' ' CG ' ' B' ' 22' ' ' TYR . 30.3 m -136.55 103.82 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.197 -0.939 . . . . 0.0 110.274 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . 0.569 ' CG ' ' O ' ' B' ' 21' ' ' VAL . 2.7 m-85 -172.53 -33.57 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.209 -0.932 . . . . 0.0 110.285 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.472 ' HA2' ' O ' ' B' ' 3' ' ' ALA . . . -100.41 -12.87 37.29 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . 0.49 ' N ' ' HB ' ' B' ' 6' ' ' ILE . . . -91.99 -103.04 1.41 Allowed Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.616 -1.394 . . . . 0.0 109.616 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -178.88 -147.22 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.204 -1.174 . . . . 0.0 110.211 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.358 0 O-C-N 119.834 -1.791 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MPT . . . . . 0.464 ' HA2' ' HB2' ' A' ' 25' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.521 ' CD ' ' O ' ' A' ' 2' ' ' LYS . 0.4 OUTLIER 55.68 69.79 0.7 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.162 -0.961 . . . . 0.0 110.259 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.524 ' O ' ' CB ' ' A' ' 4' ' ' CLG . . . -105.77 25.53 10.72 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.111 -0.993 . . . . 0.0 110.218 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' CLG . . . . . 0.565 ' NJ ' ' NH2' ' A' ' 7' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.551 ' CG2' ' N ' ' A' ' 6' ' ' ILE . 5.8 mt -69.04 174.17 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.441 -0.787 . . . . 0.0 110.234 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.551 ' N ' ' CG2' ' A' ' 5' ' ' ILE . 2.6 tt 39.66 45.41 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.533 -0.729 . . . . 0.0 110.684 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.565 ' NH2' ' NJ ' ' A' ' 4' ' ' CLG . 1.2 mtp180 -74.26 77.2 1.82 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.325 -0.859 . . . . 0.0 109.947 179.447 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.557 ' O ' ' CD1' ' A' ' 9' ' ' PHE . 32.4 p90 -107.46 166.87 10.34 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.231 -0.918 . . . . 0.0 110.367 -179.726 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.557 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 43.8 m-85 -149.95 -166.7 2.62 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.324 -0.86 . . . . 0.0 110.051 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -131.81 127.3 36.35 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.27 -0.894 . . . . 0.0 110.231 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 15' ' ' GLY . 1.2 m120 -123.23 91.77 3.55 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.255 -0.903 . . . . 0.0 110.187 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.15 -35.5 75.46 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.266 -0.896 . . . . 0.0 110.215 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.8 -69.49 0.11 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.274 -0.891 . . . . 0.0 109.337 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -79.34 -4.44 50.9 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.462 -0.774 . . . . 0.0 109.334 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 11' ' ' ASN . . . 56.67 59.51 10.66 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.667 -1.373 . . . . 0.0 109.667 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.576 ' CD2' ' N ' ' A' ' 17' ' ' ABA . 0.1 OUTLIER -150.2 129.92 13.21 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.28 -1.129 . . . . 0.0 110.273 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ABA . . . . . 0.576 ' N ' ' CD2' ' A' ' 16' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.584 ' HG3' ' CZ ' ' B' ' 9' ' ' PHE . 0.0 OUTLIER -40.29 139.47 0.74 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.323 -0.86 . . . . 0.0 110.993 -179.436 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.449 ' HB ' ' HB2' ' B' ' 8' ' ' TYR . 25.0 m -123.68 64.97 1.03 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.513 -0.742 . . . . 0.0 109.688 179.441 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.644 ' CE1' ' CB ' ' A' ' 22' ' ' TYR . 0.9 OUTLIER -89.7 116.67 27.99 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.403 -0.81 . . . . 0.0 110.243 -179.527 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.543 ' CG1' ' O ' ' B' ' 6' ' ' ILE . 7.3 p -102.08 99.92 9.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.094 -1.004 . . . . 0.0 109.809 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.644 ' CB ' ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -147.76 112.23 5.29 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.301 -0.874 . . . . 0.0 109.801 -179.389 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.547 ' HA2' ' CB ' ' A' ' 4' ' ' CLG . . . -110.26 -82.54 1.33 Allowed Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.457 ' HA2' ' O ' ' B' ' 3' ' ' ALA . . . 112.62 152.89 11.57 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.745 -1.342 . . . . 0.0 109.745 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.464 ' HB2' ' HA2' ' A' ' 1' ' ' MPT . 18.6 t -113.28 141.41 47.04 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.303 -1.116 . . . . 0.0 110.149 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.34 0 O-C-N 119.849 -1.782 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MPT . . . . . 0.462 ' O ' ' HB2' ' B' ' 2' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.462 ' HB2' ' O ' ' B' ' 1' ' ' MPT . 5.7 mmtp 57.06 77.97 0.24 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.468 -0.77 . . . . 0.0 110.581 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . 0.457 ' O ' ' HA2' ' A' ' 24' ' ' GLY . . . -46.11 127.3 8.45 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.191 -0.943 . . . . 0.0 110.025 179.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.632 ' O ' ' CB ' ' B' ' 5' ' ' ILE . 4.6 mpt_? -71.54 -81.77 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.25 -0.906 . . . . 0.0 110.763 -179.554 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.632 ' CB ' ' O ' ' B' ' 4' ' ' ARG . 54.0 mt 109.54 167.41 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.514 2.764 0 C-N-CA 124.256 1.023 . . . . 0.0 109.578 -179.583 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.543 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 4.6 mt -58.94 160.72 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 CA-C-O 122.113 0.959 . . . . 0.0 112.32 -178.429 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . 0.588 ' CG ' ' CD1' ' A' ' 20' ' ' PHE . 24.5 ttp85 -139.53 113.11 8.45 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.531 -0.73 . . . . 0.0 109.715 179.13 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . 0.536 ' CZ ' ' CG2' ' B' ' 6' ' ' ILE . 36.9 m-85 -98.72 146.4 25.93 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.443 -0.786 . . . . 0.0 109.96 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . 0.636 ' CZ ' ' CH ' ' B' ' 16' ' ' CLH . 0.4 OUTLIER -140.52 53.79 1.61 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.188 -0.945 . . . . 0.0 110.502 -179.784 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . 0.572 ' O ' ' HB2' ' B' ' 11' ' ' ASN . 31.9 t80 -53.75 -171.98 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.176 -0.953 . . . . 0.0 108.718 179.084 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . 0.572 ' HB2' ' O ' ' B' ' 10' ' ' TYR . 19.0 t-20 172.64 146.23 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.429 -0.795 . . . . 0.0 109.642 179.283 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' B' ' 13' ' ' LYS . . . -91.3 -89.61 0.17 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.096 -1.003 . . . . 0.0 110.707 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' B' ' 12' ' ' ALA . 51.3 tttt -34.47 -79.41 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.653 -0.654 . . . . 0.0 111.974 -179.203 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . 0.522 ' OD2' ' ND2' ' B' ' 11' ' ' ASN . 6.4 p-10 -72.33 -32.28 66.39 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.887 -1.133 . . . . 0.0 110.973 -179.034 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . 0.495 ' CA ' ' HB3' ' B' ' 11' ' ' ASN . . . 71.03 38.46 63.89 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.647 -1.381 . . . . 0.0 109.647 -179.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' CLH . . . . . 0.636 ' CH ' ' CZ ' ' B' ' 9' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ABA . . . . . 0.407 ' O ' ' HB2' ' B' ' 18' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.41 ' HB2' ' HB3' ' B' ' 9' ' ' PHE . 0.0 OUTLIER 174.89 135.8 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.337 -0.852 . . . . 0.0 110.28 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.471 ' HA ' ' O ' ' B' ' 7' ' ' ARG . 29.6 m -136.05 136.71 40.45 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.25 -0.906 . . . . 0.0 110.037 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.558 ' CE1' ' NH2' ' B' ' 7' ' ' ARG . 7.8 m-85 -113.71 -165.38 1.0 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.111 -0.993 . . . . 0.0 110.432 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 11.2 t -121.17 176.53 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.31 -0.869 . . . . 0.0 109.87 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . 0.587 ' CZ ' HG12 ' B' ' 5' ' ' ILE . 0.2 OUTLIER -68.08 178.55 1.8 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.029 -1.044 . . . . 0.0 109.911 179.901 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.558 ' HA2' ' HB2' ' B' ' 4' ' ' ARG . . . -61.2 -118.98 0.01 OUTLIER Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -172.49 -39.51 0.04 OUTLIER Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 14.1 t -64.96 110.53 2.49 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.346 -1.09 . . . . 0.0 110.158 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 119.87 -1.769 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -138.29 46.27 2.04 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.244 -0.91 . . . . 0.0 110.298 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -110.12 60.6 0.6 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.263 -0.898 . . . . 0.0 110.167 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' CLG . . . . . 0.439 ' O ' HG12 ' A' ' 6' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 31.8 mm -65.26 102.25 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.176 -0.953 . . . . 0.0 109.949 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.439 HG12 ' O ' ' A' ' 4' ' ' CLG . 41.4 mm -87.63 96.69 5.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.31 -0.869 . . . . 0.0 110.462 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -110.58 124.79 52.53 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.266 -0.896 . . . . 0.0 109.924 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.498 ' O ' ' CD1' ' A' ' 9' ' ' PHE . 29.2 p90 -136.92 173.21 11.94 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.112 -0.993 . . . . 0.0 110.575 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.498 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 19.1 m-85 -137.75 95.46 3.05 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.422 -0.799 . . . . 0.0 109.917 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.509 ' HA ' ' CG ' ' A' ' 17' ' ' ABA . 0.5 OUTLIER -41.81 116.66 0.82 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.303 -0.873 . . . . 0.0 110.49 -179.803 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.47 ' O ' ' O ' ' A' ' 12' ' ' ALA . 0.7 OUTLIER -114.21 83.61 1.9 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.313 -0.867 . . . . 0.0 109.992 179.777 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.525 ' O ' ' N ' ' A' ' 14' ' ' ASP . . . -60.31 -136.56 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.279 -0.888 . . . . 0.0 110.168 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.471 ' CB ' ' O ' ' A' ' 12' ' ' ALA . 12.6 tttt 67.87 -59.74 0.42 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.252 -0.905 . . . . 0.0 108.858 -179.362 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.525 ' N ' ' O ' ' A' ' 12' ' ' ALA . 24.0 p30 -121.74 9.11 10.06 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 108.369 -0.975 . . . . 0.0 108.369 178.325 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.71 52.5 52.63 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 tp -121.73 92.33 3.71 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.192 -1.181 . . . . 0.0 110.031 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ABA . . . . . 0.509 ' CG ' ' HA ' ' A' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.478 ' HG2' ' CE1' ' B' ' 9' ' ' PHE . 3.2 mt-30 -110.96 128.56 55.87 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.295 -0.878 . . . . 0.0 110.001 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.458 ' HB ' ' O ' ' B' ' 8' ' ' TYR . 69.1 m -127.5 101.9 6.63 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.144 -0.973 . . . . 0.0 110.488 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -94.71 130.37 41.24 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.282 -0.886 . . . . 0.0 109.949 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.466 ' HB ' HG13 ' B' ' 6' ' ' ILE . 25.4 t -119.99 167.84 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.208 -0.933 . . . . 0.0 110.446 -179.755 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.583 ' CE1' HG12 ' B' ' 5' ' ' ILE . 81.8 t80 -151.76 78.31 1.25 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.351 -0.843 . . . . 0.0 109.922 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.47 ' O ' ' HB2' ' B' ' 4' ' ' ARG . . . -110.22 -118.83 3.99 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.861 -1.296 . . . . 0.0 109.861 -179.556 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.48 ' HA3' ' HB2' ' B' ' 4' ' ' ARG . . . 156.58 39.13 0.02 OUTLIER Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.436 -1.466 . . . . 0.0 109.436 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.9 t -157.8 51.27 0.44 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.286 -1.126 . . . . 0.0 110.278 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 119.85 -1.781 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.35 65.57 1.36 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.253 -0.905 . . . . 0.0 110.168 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . 0.464 ' O ' ' HB3' ' B' ' 4' ' ' ARG . . . -93.68 78.45 4.27 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.292 -0.88 . . . . 0.0 110.19 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.48 ' HB2' ' HA3' ' A' ' 24' ' ' GLY . 0.1 OUTLIER -177.72 33.14 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.338 -0.851 . . . . 0.0 110.194 -179.854 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.583 HG12 ' CE1' ' A' ' 22' ' ' TYR . 19.8 mt -109.05 120.34 60.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.245 -0.909 . . . . 0.0 110.505 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.466 HG13 ' HB ' ' A' ' 21' ' ' VAL . 10.8 pt -118.54 160.89 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.307 -0.87 . . . . 0.0 109.611 179.459 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . 0.572 ' HD2' ' CE1' ' B' ' 20' ' ' PHE . 0.1 OUTLIER -145.95 145.57 30.71 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.075 -1.015 . . . . 0.0 110.742 -179.581 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . 0.476 ' HA ' ' HA ' ' B' ' 19' ' ' THR . 18.6 m-85 -123.28 61.46 1.04 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.472 -0.768 . . . . 0.0 109.603 179.508 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . 0.519 ' O ' ' N ' ' B' ' 18' ' ' GLN . 3.1 t80 -89.65 101.26 13.95 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.353 -0.842 . . . . 0.0 110.557 -179.595 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . 0.585 ' HA ' ' CB ' ' B' ' 17' ' ' ABA . 3.6 p90 -114.99 -156.9 0.62 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.329 -0.857 . . . . 0.0 109.561 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . 0.54 ' N ' ' HB3' ' B' ' 17' ' ' ABA . 12.5 p30 -122.85 -168.19 1.71 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.053 -1.029 . . . . 0.0 110.059 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . 0.533 ' O ' ' C ' ' B' ' 13' ' ' LYS . . . -90.58 -57.2 2.91 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.226 -0.922 . . . . 0.0 110.598 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.533 ' C ' ' O ' ' B' ' 12' ' ' ALA . 0.5 OUTLIER -20.22 -68.19 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.144 0 CA-C-O 121.108 0.48 . . . . 0.0 112.136 -179.383 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -120.23 -6.55 9.89 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.009 -1.057 . . . . 0.0 110.442 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . 0.483 ' HA2' ' O ' ' B' ' 11' ' ' ASN . . . 83.34 38.95 10.28 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.693 -1.363 . . . . 0.0 109.693 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' CLH . . . . . 0.529 ' CA ' ' HB2' ' B' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ABA . . . . . 0.585 ' CB ' ' HA ' ' B' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.519 ' N ' ' O ' ' B' ' 9' ' ' PHE . 0.9 OUTLIER -160.7 68.93 0.36 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.002 -1.062 . . . . 0.0 110.478 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.476 ' HA ' ' HA ' ' B' ' 8' ' ' TYR . 82.3 m -114.52 100.81 8.57 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.182 -0.949 . . . . 0.0 110.338 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.596 ' CD1' ' N ' ' B' ' 20' ' ' PHE . 11.4 p90 -150.26 -163.64 1.83 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.315 -0.866 . . . . 0.0 110.278 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 7.5 p -103.5 152.66 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.262 -0.899 . . . . 0.0 110.099 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . 0.448 ' HB3' ' O ' ' B' ' 5' ' ' ILE . 22.2 t80 -141.58 75.2 1.49 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.142 -0.974 . . . . 0.0 110.206 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.73 -56.33 23.48 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 109.717 -1.353 . . . . 0.0 109.717 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.98 -43.68 1.6 Allowed Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.476 -1.45 . . . . 0.0 109.476 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 73.8 m -95.53 -157.74 0.6 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.289 -1.124 . . . . 0.0 110.183 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.34 0 O-C-N 119.819 -1.801 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MPT . . . . . 0.534 ' O ' ' CG ' ' A' ' 2' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.534 ' CG ' ' O ' ' A' ' 1' ' ' MPT . 18.8 pttp 37.37 46.52 0.63 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.665 -0.647 . . . . 0.0 110.77 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -105.33 52.46 0.74 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.214 -0.929 . . . . 0.0 110.236 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' CLG . . . . . 0.527 ' HD3' ' C ' ' A' ' 4' ' ' CLG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.469 ' HB ' ' O ' ' A' ' 4' ' ' CLG . 2.5 tt -179.56 70.61 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.315 -0.865 . . . . 0.0 110.117 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.461 ' HA ' ' O ' ' A' ' 20' ' ' PHE . 1.5 mp -93.38 46.32 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.158 -0.964 . . . . 0.0 110.159 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.585 ' CZ ' ' CE2' ' A' ' 20' ' ' PHE . 52.1 mtm180 -43.27 104.54 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.229 -0.92 . . . . 0.0 109.901 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.471 ' HA ' ' O ' ' A' ' 18' ' ' GLN . 0.2 OUTLIER -120.03 65.34 0.82 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.153 -0.967 . . . . 0.0 110.584 -179.772 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.475 ' O ' ' O ' ' A' ' 10' ' ' TYR . 12.5 m-85 -89.77 108.42 19.68 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.182 -0.949 . . . . 0.0 109.415 179.46 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.475 ' O ' ' O ' ' A' ' 9' ' ' PHE . 20.9 t80 -42.98 168.2 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.269 -0.894 . . . . 0.0 110.628 -179.147 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.576 ' O ' ' N ' ' A' ' 15' ' ' GLY . 25.5 p30 -97.99 14.05 28.71 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.301 -0.874 . . . . 0.0 111.526 -179.333 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.718 ' O ' ' N ' ' A' ' 14' ' ' ASP . . . -49.43 146.26 4.1 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 120.855 -1.153 . . . . 0.0 110.718 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 47.98 -64.72 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.128 0 CA-C-O 121.921 0.867 . . . . 0.0 111.756 178.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.718 ' N ' ' O ' ' A' ' 12' ' ' ALA . 10.1 m-20 -66.92 -8.28 28.22 Favored 'General case' 0 C--N 1.285 -2.207 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.52 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.576 ' N ' ' O ' ' A' ' 11' ' ' ASN . . . 52.25 32.24 36.15 Favored Glycine 0 N--CA 1.495 2.613 0 C-N-CA 119.155 -1.497 . . . . 0.0 109.499 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.548 ' CD2' ' O ' ' A' ' 16' ' ' LEU . 1.4 tt -123.17 101.86 7.63 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.081 -1.246 . . . . 0.0 111.084 -179.151 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ABA . . . . . 0.545 ' N ' ' HB3' ' A' ' 11' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.503 ' HA ' ' HB2' ' B' ' 9' ' ' PHE . 30.3 mt-30 -50.03 121.28 5.22 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.42 -0.8 . . . . 0.0 110.571 -179.277 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.9 m -132.57 86.17 2.3 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.567 -0.708 . . . . 0.0 109.328 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.623 ' CD2' ' NE ' ' B' ' 7' ' ' ARG . 9.0 m-85 -89.4 156.16 18.86 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.316 -0.865 . . . . 0.0 110.292 -179.258 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.532 ' HB ' ' CG1' ' B' ' 6' ' ' ILE . 17.5 t -149.98 26.09 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.342 -0.849 . . . . 0.0 109.972 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.477 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 1.7 t80 -70.46 99.7 1.65 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.345 -0.847 . . . . 0.0 110.149 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -110.26 -119.63 4.07 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 52.1 -147.36 12.78 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.435 -1.466 . . . . 0.0 109.435 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 37.8 t -176.46 -74.12 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.198 -1.178 . . . . 0.0 110.321 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.33 0 O-C-N 119.908 -1.745 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MPT . . . . . 0.451 ' O ' ' SG ' ' B' ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm 45.99 79.43 0.05 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.219 -0.926 . . . . 0.0 110.192 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . 0.529 ' CB ' ' HA3' ' B' ' 23' ' ' GLY . . . -109.89 151.0 27.61 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.277 -0.89 . . . . 0.0 110.285 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -176.69 57.91 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.106 -0.996 . . . . 0.0 110.766 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.537 ' CG2' ' HA2' ' B' ' 23' ' ' GLY . 0.0 OUTLIER -171.34 131.3 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.152 -0.967 . . . . 0.0 110.089 179.561 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.532 ' CG1' ' HB ' ' A' ' 21' ' ' VAL . 40.5 pt -156.18 -175.08 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.372 -0.83 . . . . 0.0 109.931 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . 0.623 ' NE ' ' CD2' ' A' ' 20' ' ' PHE . 22.8 ttm180 -166.37 161.61 16.6 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.17 -0.956 . . . . 0.0 110.242 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . 0.533 ' CD1' ' C ' ' B' ' 7' ' ' ARG . 65.2 m-85 -151.53 38.69 0.63 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.23 -0.918 . . . . 0.0 110.017 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . 0.584 ' CG ' ' O ' ' B' ' 9' ' ' PHE . 1.1 p90 -94.57 119.64 33.56 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.238 -0.914 . . . . 0.0 109.966 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -116.25 16.66 15.82 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.125 -0.984 . . . . 0.0 110.366 -179.632 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . 0.539 ' CB ' HD11 ' A' ' 16' ' ' LEU . 3.5 t-20 -50.69 103.97 0.07 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.172 -0.955 . . . . 0.0 110.144 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' B' ' 11' ' ' ASN . . . -41.73 -66.36 0.35 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.236 -0.915 . . . . 0.0 110.499 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.474 ' HB2' ' OD1' ' B' ' 11' ' ' ASN . 20.8 tptt 50.72 -140.4 0.84 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.222 -0.924 . . . . 0.0 110.109 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . 0.43 ' N ' ' OD1' ' B' ' 14' ' ' ASP . 45.6 p-10 -93.79 0.66 56.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.152 -0.968 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . 0.514 ' O ' ' N ' ' B' ' 17' ' ' ABA . . . 158.13 -55.37 0.37 Allowed Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.643 -1.383 . . . . 0.0 109.643 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' CLH . . . . . 0.512 ' C ' ' O ' ' B' ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ABA . . . . . 0.523 ' CG ' ' O ' ' B' ' 17' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.483 ' CB ' ' O ' ' B' ' 17' ' ' ABA . 0.2 OUTLIER 170.37 -169.3 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.197 -0.939 . . . . 0.0 110.321 179.89 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.45 HG21 ' O ' ' B' ' 7' ' ' ARG . 21.5 m -128.82 151.88 49.1 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.447 -0.783 . . . . 0.0 109.902 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.558 ' CD1' ' HB3' ' B' ' 7' ' ' ARG . 7.0 m-85 -112.1 126.53 55.28 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.112 -0.993 . . . . 0.0 110.415 -179.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 76.6 t -129.91 81.85 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.279 -0.888 . . . . 0.0 109.878 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . 0.466 ' O ' HG21 ' B' ' 5' ' ' ILE . 0.1 OUTLIER 177.8 119.71 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.287 -0.883 . . . . 0.0 109.805 -179.61 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.537 ' HA2' ' CG2' ' B' ' 5' ' ' ILE . . . -66.42 -110.93 0.01 OUTLIER Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.407 -1.477 . . . . 0.0 109.407 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -158.0 81.62 0.16 Allowed Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -88.41 29.49 0.97 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.224 -1.163 . . . . 0.0 110.201 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 119.917 -1.739 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MPT . . . . . 0.519 ' C ' ' SG ' ' A' ' 25' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' A' ' 1' ' ' MPT . 0.5 OUTLIER 55.57 91.08 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.163 -0.96 . . . . 0.0 109.01 -179.308 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.57 ' O ' ' O ' ' A' ' 4' ' ' CLG . . . -81.51 36.97 0.44 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.309 -0.869 . . . . 0.0 111.566 -178.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' CLG . . . . . 0.715 ' CB ' ' HA2' ' A' ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.408 ' CG2' ' C ' ' A' ' 4' ' ' CLG . 12.0 pt -146.77 -160.11 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 120.714 -1.241 . . . . 0.0 110.546 -179.59 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.471 ' HA ' ' HA ' ' A' ' 21' ' ' VAL . 0.4 OUTLIER -57.63 88.96 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.382 -0.824 . . . . 0.0 110.553 -179.715 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.613 ' CB ' ' CE2' ' A' ' 20' ' ' PHE . 0.4 OUTLIER -49.07 151.74 1.25 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.289 -0.882 . . . . 0.0 109.689 179.534 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.542 ' CD1' ' OG1' ' A' ' 19' ' ' THR . 0.1 OUTLIER -155.58 99.55 2.03 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.439 -0.788 . . . . 0.0 110.574 -179.838 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.55 ' CE1' ' HG2' ' A' ' 7' ' ' ARG . 11.3 m-85 -123.52 91.51 3.49 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.209 -0.932 . . . . 0.0 109.844 179.524 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.525 ' HB2' ' CG ' ' A' ' 17' ' ' ABA . 0.0 OUTLIER -99.19 151.97 20.41 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.37 -0.831 . . . . 0.0 110.174 -179.57 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.507 ' O ' ' N ' ' A' ' 15' ' ' GLY . 18.4 m120 -129.6 106.89 9.04 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.338 -0.851 . . . . 0.0 109.834 179.701 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -49.5 -40.0 35.95 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.219 -0.926 . . . . 0.0 110.512 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.17 -78.9 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.204 -0.935 . . . . 0.0 109.552 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.505 ' OD1' ' N ' ' A' ' 16' ' ' LEU . 3.3 p30 -71.76 -4.43 27.63 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.304 -0.872 . . . . 0.0 109.442 179.116 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 11' ' ' ASN . . . 61.64 37.69 94.63 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.505 ' N ' ' OD1' ' A' ' 14' ' ' ASP . 1.6 tt -89.86 159.82 16.78 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.231 -1.158 . . . . 0.0 110.078 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ABA . . . . . 0.525 ' CG ' ' HB2' ' A' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.54 ' HG3' ' NH1' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -58.79 148.9 28.09 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.193 -0.942 . . . . 0.0 109.775 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.542 ' OG1' ' CD1' ' A' ' 8' ' ' TYR . 2.0 m -172.24 138.93 1.0 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.25 -0.906 . . . . 0.0 110.156 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.613 ' CE2' ' CB ' ' A' ' 7' ' ' ARG . 3.9 p90 -149.99 142.76 24.68 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.046 -1.034 . . . . 0.0 110.492 179.362 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.488 ' O ' ' CA ' ' B' ' 5' ' ' ILE . 12.4 t -95.09 74.63 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.306 -0.871 . . . . 0.0 110.754 -179.337 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.597 ' HB3' ' CE1' ' A' ' 20' ' ' PHE . 13.9 t80 -126.78 88.57 2.84 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.289 -0.882 . . . . 0.0 109.23 179.178 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.715 ' HA2' ' CB ' ' A' ' 4' ' ' CLG . . . -90.62 -172.8 44.23 Favored Glycine 0 N--CA 1.49 2.241 0 C-N-CA 119.215 -1.469 . . . . 0.0 110.25 -178.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.515 ' N ' ' HB3' ' A' ' 4' ' ' CLG . . . 132.59 84.39 0.25 Allowed Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.519 ' SG ' ' C ' ' A' ' 1' ' ' MPT . 0.0 OUTLIER -52.91 104.2 0.09 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.957 -1.32 . . . . 0.0 109.982 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 119.941 -1.725 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' MPT . . . . . 0.403 ' O ' ' CB ' ' B' ' 2' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' B' ' 4' ' ' ARG . 0.0 OUTLIER 64.44 81.62 0.2 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.238 -0.914 . . . . 0.0 109.985 -179.887 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.5 83.92 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.351 -0.843 . . . . 0.0 110.284 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.521 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER 175.91 72.75 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.328 -0.858 . . . . 0.0 110.195 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.495 ' HA ' ' HA ' ' A' ' 22' ' ' TYR . 2.4 tt -149.96 67.84 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.672 -0.642 . . . . 0.0 110.256 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.452 ' HB ' ' HB ' ' A' ' 21' ' ' VAL . 13.6 mt -98.73 166.81 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.011 -1.056 . . . . 0.0 110.387 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . 0.458 ' O ' ' HA ' ' B' ' 19' ' ' THR . 1.8 mtp85 -126.31 102.45 7.18 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.247 -0.908 . . . . 0.0 110.156 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . 0.525 ' N ' ' O ' ' A' ' 19' ' ' THR . 4.1 m-30 -111.38 81.01 1.37 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.333 -0.854 . . . . 0.0 110.452 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -104.53 113.99 27.92 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.046 -1.034 . . . . 0.0 110.338 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . 0.444 ' O ' ' HB3' ' B' ' 11' ' ' ASN . 14.9 t80 -118.72 158.9 24.65 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.337 -0.852 . . . . 0.0 110.086 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . 0.492 ' OD1' ' N ' ' B' ' 16' ' ' CLH . 1.5 p30 -176.86 141.24 0.35 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.178 -0.951 . . . . 0.0 110.224 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.98 -156.38 0.39 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.242 -0.911 . . . . 0.0 110.232 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 63.3 mttt 46.14 24.69 0.28 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.31 -0.869 . . . . 0.0 110.229 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 48.48 55.67 8.62 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.211 -0.93 . . . . 0.0 110.179 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . 0.478 ' CA ' ' OD1' ' B' ' 11' ' ' ASN . . . -82.61 -99.81 0.48 Allowed Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' CLH . . . . . 0.492 ' N ' ' OD1' ' B' ' 11' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' ABA . . . . . 0.412 ' O ' ' HG3' ' B' ' 18' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' B' ' 17' ' ' ABA . 1.1 mt-30 -175.44 109.19 0.1 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.162 -0.961 . . . . 0.0 110.263 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.458 ' HA ' ' O ' ' B' ' 7' ' ' ARG . 63.5 m -132.67 115.6 15.59 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.362 -0.837 . . . . 0.0 110.122 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.434 ' HB2' ' HB2' ' B' ' 7' ' ' ARG . 13.2 m-85 -118.61 178.96 4.27 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.219 -0.926 . . . . 0.0 110.226 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.456 ' CG2' ' O ' ' B' ' 21' ' ' VAL . 33.2 m -149.05 100.12 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.294 -0.879 . . . . 0.0 110.317 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . 0.47 ' HB2' ' O ' ' B' ' 5' ' ' ILE . 62.9 m-85 -105.2 -16.42 14.78 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.212 -0.93 . . . . 0.0 110.15 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' B' ' 22' ' ' TYR . . . -44.39 103.23 0.05 OUTLIER Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 143.73 54.67 0.03 OUTLIER Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.869 -1.292 . . . . 0.0 109.869 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.89 -16.73 29.41 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.134 -1.215 . . . . 0.0 109.759 179.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.356 0 O-C-N 120.036 -1.665 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.512 ' CG ' ' O ' ' A' ' 2' ' ' LYS . 0.1 OUTLIER -173.26 67.43 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.199 -0.938 . . . . 0.0 110.165 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -109.32 52.62 0.71 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.305 -0.872 . . . . 0.0 110.23 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' CLG . . . . . 0.591 ' C ' ' CG2' ' A' ' 5' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.591 ' CG2' ' C ' ' A' ' 4' ' ' CLG . 0.2 OUTLIER -151.95 166.03 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.245 -0.91 . . . . 0.0 110.35 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.42 ' N ' ' CD1' ' A' ' 6' ' ' ILE . 4.6 mp -123.83 74.1 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.3 -0.875 . . . . 0.0 110.14 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.73 102.06 13.82 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.261 -0.899 . . . . 0.0 110.351 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.565 ' O ' ' CD1' ' A' ' 9' ' ' PHE . 13.6 p90 -150.43 159.32 44.55 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.326 -0.859 . . . . 0.0 109.995 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.565 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 24.0 m-85 -146.15 93.28 2.3 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.147 -0.97 . . . . 0.0 110.535 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.532 ' HA ' ' CG ' ' A' ' 17' ' ' ABA . 22.7 t80 -44.35 136.41 4.09 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.176 -0.952 . . . . 0.0 109.537 179.591 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.478 ' O ' ' O ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -142.88 75.96 1.51 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.968 -1.083 . . . . 0.0 111.404 -179.388 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.833 ' O ' ' N ' ' A' ' 14' ' ' ASP . . . -62.46 -156.48 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 178.302 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp 48.58 -65.56 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.064 0 CA-C-O 121.919 0.866 . . . . 0.0 109.867 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.833 ' N ' ' O ' ' A' ' 12' ' ' ALA . 1.1 m-20 -55.03 -21.79 13.38 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 177.295 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.467 ' O ' ' HA ' ' B' ' 11' ' ' ASN . . . 96.53 -4.35 64.02 Favored Glycine 0 N--CA 1.489 2.2 0 C-N-CA 119.919 -1.134 . . . . 0.0 112.173 177.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.583 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -144.5 160.36 41.23 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-N 119.848 1.824 . . . . 0.0 112.745 179.641 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ABA . . . . . 0.532 ' CG ' ' HA ' ' A' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.581 ' OE1' ' CD2' ' B' ' 9' ' ' PHE . 0.0 OUTLIER -46.83 126.18 8.34 Favored 'General case' 0 N--CA 1.499 1.987 0 C-N-CA 119.192 -1.003 . . . . 0.0 109.046 -178.659 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.459 ' HB ' ' HB2' ' B' ' 8' ' ' TYR . 54.6 m -144.52 115.84 8.02 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.088 -1.007 . . . . 0.0 111.094 -179.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.58 ' CD1' ' HG3' ' B' ' 7' ' ' ARG . 1.2 t80 -122.61 125.16 45.08 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 179.085 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.515 ' O ' ' CD1' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -149.89 100.99 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 120.719 -1.238 . . . . 0.0 111.452 -178.715 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.633 ' CE2' ' CD1' ' B' ' 6' ' ' ILE . 0.1 OUTLIER 164.75 107.58 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.702 -0.623 . . . . 0.0 109.993 178.877 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.34 114.22 4.76 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.655 -1.378 . . . . 0.0 109.655 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.03 28.11 15.31 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 57.39 101.41 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.284 -1.127 . . . . 0.0 110.327 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 119.764 -1.835 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' MPT . . . . . 0.498 ' O ' ' N ' ' B' ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -119.98 54.34 1.03 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.275 -0.891 . . . . 0.0 110.229 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . 0.458 ' O ' ' HG2' ' B' ' 4' ' ' ARG . . . -73.23 142.66 47.28 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.244 -0.91 . . . . 0.0 110.217 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.529 ' HD3' ' CZ ' ' A' ' 22' ' ' TYR . 2.6 mtt180 -147.29 110.71 4.89 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.143 -0.973 . . . . 0.0 110.677 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.546 ' CA ' ' HB3' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -149.59 36.83 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.361 -0.837 . . . . 0.0 110.113 179.616 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.633 ' CD1' ' CE2' ' A' ' 22' ' ' TYR . 91.9 mt -70.02 141.72 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 CA-C-O 121.808 0.813 . . . . 0.0 110.861 -179.511 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . 0.586 ' HB3' ' CZ ' ' B' ' 20' ' ' PHE . 0.0 OUTLIER -137.56 143.74 41.71 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.402 -0.811 . . . . 0.0 110.033 179.838 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . 0.547 ' HB3' ' CG ' ' B' ' 17' ' ' ABA . 7.0 m-85 -118.71 114.86 23.36 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.672 -0.642 . . . . 0.0 109.579 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . 0.635 ' O ' ' CD1' ' B' ' 9' ' ' PHE . 21.5 t80 -152.59 97.29 2.23 Favored 'General case' 0 N--CA 1.506 2.366 0 O-C-N 120.555 -1.34 . . . . 0.0 112.869 -179.377 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . 0.689 ' HB2' ' HA ' ' B' ' 17' ' ' ABA . 0.7 OUTLIER -134.02 170.64 15.34 Favored 'General case' 0 N--CA 1.509 2.522 0 O-C-N 120.101 -1.624 . . . . 0.0 109.48 177.532 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . 0.467 ' HA ' ' O ' ' A' ' 15' ' ' GLY . 4.7 p-10 -118.7 17.74 13.5 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.273 -0.892 . . . . 0.0 110.202 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' B' ' 14' ' ' ASP . . . -90.49 151.31 21.43 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.237 -0.914 . . . . 0.0 110.349 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? -51.62 92.25 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.246 -0.909 . . . . 0.0 110.1 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' B' ' 12' ' ' ALA . 0.6 OUTLIER 53.86 37.2 25.97 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.246 -0.909 . . . . 0.0 110.139 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -87.84 38.77 3.14 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' CLH . . . . . 0.53 ' O ' ' C ' ' B' ' 17' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' ABA . . . . . 0.689 ' HA ' ' HB2' ' B' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.554 ' CB ' ' O ' ' B' ' 9' ' ' PHE . 6.3 tt0 -16.28 86.7 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.333 0 CA-C-O 121.215 0.531 . . . . 0.0 112.245 -178.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.515 ' HA ' ' O ' ' B' ' 7' ' ' ARG . 55.0 m -99.61 105.9 17.81 Favored 'General case' 0 C--N 1.303 -1.419 0 C-N-CA 119.73 -0.788 . . . . 0.0 111.036 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.586 ' CZ ' ' HB3' ' B' ' 7' ' ' ARG . 8.7 p90 -122.88 143.66 49.73 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 119.596 -0.842 . . . . 0.0 109.847 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.465 ' HA ' HG12 ' B' ' 6' ' ' ILE . 4.7 m -126.8 154.27 36.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.205 -0.934 . . . . 0.0 110.523 -179.53 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . 0.497 ' HB3' HD13 ' B' ' 5' ' ' ILE . 2.3 t80 -132.25 -35.36 1.19 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.448 -0.782 . . . . 0.0 109.737 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.62 172.29 42.83 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.382 -1.487 . . . . 0.0 109.382 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.63 -39.97 0.57 Allowed Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.564 -1.415 . . . . 0.0 109.564 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 26.3 p -46.9 -22.27 0.3 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.296 -1.12 . . . . 0.0 110.147 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' NH2 . . . . . 0.498 ' N ' ' O ' ' B' ' 1' ' ' MPT . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 119.879 -1.763 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -161.64 79.75 0.57 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.162 -0.961 . . . . 0.0 110.587 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -105.85 56.98 0.67 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.187 -0.946 . . . . 0.0 109.973 179.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' CLG . . . . . 0.447 ' HE3' HG22 ' A' ' 21' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.466 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 3.7 mt -129.53 85.14 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.373 -0.829 . . . . 0.0 109.594 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.531 ' HA ' ' CG1' ' A' ' 21' ' ' VAL . 1.7 mt -63.12 111.74 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.326 -0.859 . . . . 0.0 110.966 -179.171 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.573 ' HB3' ' CE2' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -107.39 107.66 18.66 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.512 -0.742 . . . . 0.0 109.101 179.089 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.579 ' CG ' HG22 ' A' ' 19' ' ' THR . 0.2 OUTLIER -86.29 153.49 21.94 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.285 -0.884 . . . . 0.0 111.145 -178.938 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.573 ' CE2' ' HB3' ' A' ' 7' ' ' ARG . 64.0 m-85 -149.93 76.27 1.28 Allowed 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.501 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.528 ' CE2' ' HB2' ' A' ' 12' ' ' ALA . 10.3 t80 -40.55 165.62 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.51 -0.744 . . . . 0.0 111.14 -178.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.614 ' O ' ' CA ' ' A' ' 15' ' ' GLY . 31.3 p-10 -89.16 -18.48 27.06 Favored 'General case' 0 C--O 1.199 -1.57 0 O-C-N 121.513 -0.742 . . . . 0.0 111.327 -179.431 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.528 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . . . -45.37 -68.25 0.21 Allowed 'General case' 0 C--N 1.29 -2.006 0 O-C-N 120.173 -1.579 . . . . 0.0 111.041 -179.36 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -51.66 -85.68 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.428 -0.795 . . . . 0.0 111.708 -178.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.89 -3.37 3.35 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.47 -0.769 . . . . 0.0 111.13 -178.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.614 ' CA ' ' O ' ' A' ' 11' ' ' ASN . . . 74.48 15.31 80.46 Favored Glycine 0 N--CA 1.497 2.716 0 C-N-CA 118.307 -1.901 . . . . 0.0 109.428 -179.505 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.524 ' CD1' ' CZ ' ' B' ' 9' ' ' PHE . 5.9 tt -150.49 114.46 5.05 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.149 -1.206 . . . . 0.0 110.812 -179.405 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ABA . . . . . 0.524 ' N ' ' HB3' ' A' ' 11' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 179.41 127.05 0.07 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.054 -1.029 . . . . 0.0 110.503 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.579 HG22 ' CG ' ' A' ' 8' ' ' TYR . 0.2 OUTLIER -116.79 83.57 1.99 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.228 -0.92 . . . . 0.0 110.264 179.794 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.596 ' CZ ' ' HB2' ' A' ' 22' ' ' TYR . 8.3 t80 -89.38 107.21 18.94 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.231 -0.918 . . . . 0.0 109.749 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.561 ' CG2' ' N ' ' A' ' 22' ' ' TYR . 2.1 m -94.64 -45.02 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 121.188 -0.945 . . . . 0.0 110.802 -179.348 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.596 ' HB2' ' CZ ' ' A' ' 20' ' ' PHE . 9.4 t80 64.07 154.87 0.06 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.35 -0.844 . . . . 0.0 110.544 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.61 -110.11 0.63 Allowed Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.44 -1.464 . . . . 0.0 109.44 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.14 -70.75 0.25 Allowed Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.79 -1.324 . . . . 0.0 109.79 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 28.7 p -75.75 -9.33 58.5 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.218 -1.166 . . . . 0.0 110.361 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 119.806 -1.809 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -150.71 81.66 1.34 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.232 -0.917 . . . . 0.0 110.105 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -48.59 170.23 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.235 -0.916 . . . . 0.0 110.185 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.448 ' NH1' ' CG2' ' B' ' 21' ' ' VAL . 0.4 OUTLIER -150.02 -158.95 0.97 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.273 -0.892 . . . . 0.0 110.196 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.413 ' CG2' ' CD1' ' A' ' 22' ' ' TYR . 33.6 mt -130.48 73.43 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.211 -0.93 . . . . 0.0 110.062 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.639 ' CG2' ' CE1' ' B' ' 8' ' ' TYR . 96.8 mt -63.03 113.32 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.402 -0.811 . . . . 0.0 110.198 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 17.9 mtm180 -119.85 89.73 3.19 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.252 -0.905 . . . . 0.0 110.211 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . 0.639 ' CE1' ' CG2' ' B' ' 6' ' ' ILE . 21.9 m-30 -75.69 150.23 37.94 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.242 -0.911 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . 0.524 ' CZ ' ' CD1' ' A' ' 16' ' ' LEU . 65.9 t80 -150.14 46.79 0.91 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.449 -0.782 . . . . 0.0 109.585 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . 0.573 ' CD1' ' O ' ' B' ' 10' ' ' TYR . 0.7 OUTLIER -39.11 -33.86 0.15 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.705 -0.622 . . . . 0.0 110.607 -179.818 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . 0.436 ' HA ' ' HG ' ' A' ' 16' ' ' LEU . 17.1 t30 54.34 173.72 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.941 -1.1 . . . . 0.0 109.896 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . 0.415 ' O ' ' O ' ' B' ' 13' ' ' LYS . . . -90.43 -138.46 0.14 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.228 -0.92 . . . . 0.0 110.708 -179.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' B' ' 12' ' ' ALA . 0.1 OUTLIER 42.89 -162.98 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.2 -0.937 . . . . 0.0 109.999 -179.801 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.3 41.42 0.88 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.224 -0.922 . . . . 0.0 110.07 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . 0.478 ' O ' ' O ' ' B' ' 10' ' ' TYR . . . -105.0 59.97 0.42 Allowed Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' CLH . . . . . 0.571 ' HA ' ' CD1' ' B' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' ABA . . . . . 0.527 ' CB ' ' O ' ' B' ' 16' ' ' CLH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.494 ' CB ' ' O ' ' B' ' 17' ' ' ABA . 0.0 OUTLIER 167.95 59.45 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.275 -0.89 . . . . 0.0 110.051 179.825 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.0 m -98.28 156.33 16.77 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.156 -0.965 . . . . 0.0 110.402 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -118.78 64.96 0.77 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.312 -0.867 . . . . 0.0 110.014 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.448 ' CG2' ' NH1' ' B' ' 4' ' ' ARG . 7.4 p -92.23 145.99 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.2 -0.938 . . . . 0.0 110.375 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . 0.525 ' CG ' ' N ' ' B' ' 23' ' ' GLY . 26.4 p90 -146.85 -39.14 0.21 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.22 -0.925 . . . . 0.0 110.2 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.525 ' N ' ' CG ' ' B' ' 22' ' ' TYR . . . -61.49 -117.31 0.01 OUTLIER Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -172.08 -91.74 0.08 OUTLIER Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 52.6 t -52.35 135.65 32.59 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.275 -1.133 . . . . 0.0 110.16 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.323 0 O-C-N 119.888 -1.758 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MPT . . . . . 0.408 ' O ' ' SG ' ' A' ' 25' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.44 ' CG ' ' HB2' ' A' ' 25' ' ' CYS . 32.7 mtpt -122.48 65.89 0.94 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.291 -0.881 . . . . 0.0 110.293 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.615 ' O ' ' C ' ' A' ' 4' ' ' CLG . . . -89.17 39.96 0.96 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.151 -0.968 . . . . 0.0 110.116 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' CLG . . . . . 0.615 ' C ' ' O ' ' A' ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.487 ' O ' ' CG2' ' A' ' 5' ' ' ILE . 6.6 tp -53.55 96.32 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.203 -0.935 . . . . 0.0 110.028 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 40.0 mt -67.14 112.06 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.241 -0.912 . . . . 0.0 110.274 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.477 ' CG ' HG13 ' A' ' 5' ' ' ILE . 76.0 mtm-85 -127.48 119.02 25.15 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.201 -0.937 . . . . 0.0 110.156 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.458 ' CB ' ' HA ' ' A' ' 19' ' ' THR . 35.5 p90 -121.93 162.95 20.12 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.27 -0.894 . . . . 0.0 110.213 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -127.44 -163.26 1.24 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.334 -0.854 . . . . 0.0 109.967 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -128.49 136.64 51.09 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.228 -0.92 . . . . 0.0 110.396 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.528 ' ND2' ' N ' ' A' ' 11' ' ' ASN . 0.0 OUTLIER -142.82 112.04 6.62 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.45 -0.781 . . . . 0.0 109.429 179.691 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.491 ' O ' ' C ' ' A' ' 13' ' ' LYS . . . -90.05 -6.96 54.95 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.466 -0.772 . . . . 0.0 110.948 -179.275 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.491 ' C ' ' O ' ' A' ' 12' ' ' ALA . 10.1 mttt -38.45 -52.39 1.57 Allowed 'General case' 0 N--CA 1.498 1.962 0 CA-C-O 121.812 0.815 . . . . 0.0 108.947 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.544 ' HB2' ' CD1' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -130.46 9.88 5.17 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 107.667 -1.235 . . . . 0.0 107.667 177.306 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.505 ' N ' HD11 ' A' ' 16' ' ' LEU . . . 66.06 76.82 0.31 Allowed Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.658 -1.377 . . . . 0.0 109.658 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.632 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -150.63 69.71 0.99 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.993 -1.298 . . . . 0.0 111.462 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ABA . . . . . 0.57 ' C ' ' O ' ' A' ' 16' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.408 ' O ' ' HB2' ' A' ' 8' ' ' TYR . 7.9 tt0 -101.82 142.68 32.77 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.105 -0.997 . . . . 0.0 111.21 -178.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.51 ' O ' ' CB ' ' B' ' 8' ' ' TYR . 4.3 m -122.2 91.7 3.56 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.569 -0.707 . . . . 0.0 109.27 179.35 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.606 ' CD1' ' CD ' ' B' ' 7' ' ' ARG . 5.4 t80 -89.63 130.44 35.93 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.269 -0.894 . . . . 0.0 110.766 -179.148 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.521 ' CG1' ' OH ' ' B' ' 22' ' ' TYR . 4.1 t -106.74 161.34 5.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.399 -0.813 . . . . 0.0 109.482 179.499 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.529 ' HA ' ' CD1' ' B' ' 5' ' ' ILE . 79.6 t80 -151.29 83.89 1.31 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.852 -1.155 . . . . 0.0 111.404 -179.259 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.563 ' N ' ' CD1' ' B' ' 5' ' ' ILE . . . -74.85 -175.37 35.23 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 108.767 -1.733 . . . . 0.0 108.767 179.22 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.494 ' O ' ' CB ' ' A' ' 25' ' ' CYS . . . 137.33 155.47 6.95 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.655 -1.378 . . . . 0.0 109.655 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.1 OUTLIER 169.09 96.31 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.346 -1.09 . . . . 0.0 109.94 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 119.879 -1.763 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' MPT . . . . . 0.413 ' O ' ' C ' ' B' ' 2' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.576 ' O ' ' CD2' ' B' ' 22' ' ' TYR . 1.0 OUTLIER 42.8 43.8 3.57 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.31 -0.869 . . . . 0.0 110.462 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . 0.584 ' O ' ' CD1' ' B' ' 22' ' ' TYR . . . -110.85 -151.08 0.47 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.326 -0.859 . . . . 0.0 110.117 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.642 ' HB2' ' CA ' ' B' ' 23' ' ' GLY . 6.7 mpt_? 60.2 -115.81 0.71 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.562 -0.711 . . . . 0.0 111.281 179.488 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.563 ' CD1' ' N ' ' A' ' 23' ' ' GLY . 27.1 mm -150.06 126.39 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 120.546 -1.346 . . . . 0.0 111.382 -179.52 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.512 ' HB ' ' CA ' ' B' ' 22' ' ' TYR . 10.1 tt -125.02 130.55 73.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.672 -0.642 . . . . 0.0 110.413 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . 0.606 ' CD ' ' CD1' ' A' ' 20' ' ' PHE . 1.0 OUTLIER -102.36 126.23 49.31 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.459 -0.776 . . . . 0.0 110.11 179.894 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . 0.51 ' CB ' ' O ' ' A' ' 19' ' ' THR . 0.3 OUTLIER -108.32 139.71 42.63 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.223 -0.923 . . . . 0.0 110.159 179.881 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . 0.443 ' O ' ' CD2' ' B' ' 9' ' ' PHE . 38.6 t80 -149.79 59.32 0.99 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.197 -0.939 . . . . 0.0 110.477 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . 0.626 ' CD1' ' N ' ' B' ' 11' ' ' ASN . 1.1 p90 -60.65 -179.07 0.11 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.151 -0.968 . . . . 0.0 109.607 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . 0.626 ' N ' ' CD1' ' B' ' 10' ' ' TYR . 18.6 p-10 -165.37 -41.1 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.064 -1.023 . . . . 0.0 110.619 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . 0.51 ' N ' ' OD1' ' B' ' 11' ' ' ASN . . . -76.38 153.68 35.55 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.119 -0.988 . . . . 0.0 110.367 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.76 -27.98 0.95 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.292 -0.88 . . . . 0.0 110.078 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -48.57 -49.3 37.18 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.206 -0.934 . . . . 0.0 110.101 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.17 25.46 6.1 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' CLH . . . . . 0.528 ' N ' ' HB2' ' B' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' ABA . . . . . 0.618 ' CB ' ' HA ' ' B' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' B' ' 17' ' ' ABA . 0.0 OUTLIER -43.95 98.05 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.018 -1.051 . . . . 0.0 110.013 179.918 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.485 HG23 ' CZ ' ' B' ' 8' ' ' TYR . 0.1 OUTLIER -117.6 137.92 52.29 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.186 -0.946 . . . . 0.0 110.416 -179.787 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.454 ' CD1' ' N ' ' B' ' 20' ' ' PHE . 12.1 m-85 -101.14 -160.45 0.8 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.36 -0.838 . . . . 0.0 109.913 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.474 ' O ' ' HA ' ' B' ' 6' ' ' ILE . 7.8 p -119.8 160.67 19.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.18 -0.95 . . . . 0.0 110.602 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . 0.584 ' CD1' ' O ' ' B' ' 3' ' ' ALA . 0.0 OUTLIER -83.97 -76.59 0.29 Allowed 'General case' 0 C--N 1.306 -1.3 0 O-C-N 121.369 -0.832 . . . . 0.0 108.942 179.415 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.642 ' CA ' ' HB2' ' B' ' 4' ' ' ARG . . . -111.83 -117.57 3.63 Favored Glycine 0 N--CA 1.495 2.63 0 N-CA-C 109.766 -1.333 . . . . 0.0 109.766 179.379 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.1 36.78 0.02 OUTLIER Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 8.6 p -58.85 128.56 37.84 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.281 -1.129 . . . . 0.0 110.205 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.363 0 O-C-N 119.797 -1.814 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.3 mtmp? -123.42 -121.06 0.28 Allowed 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.334 -0.854 . . . . 0.0 109.531 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.476 ' O ' ' CB ' ' A' ' 4' ' ' CLG . . . -102.01 58.43 0.83 Allowed 'General case' 0 C--N 1.286 -2.159 0 O-C-N 121.651 -0.655 . . . . 0.0 110.193 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' CLG . . . . . 0.476 ' CB ' ' O ' ' A' ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.529 HD13 ' CZ ' ' A' ' 22' ' ' TYR . 4.2 pt -68.3 174.32 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.176 -0.953 . . . . 0.0 109.977 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.528 ' HA ' ' CG1' ' A' ' 21' ' ' VAL . 2.5 mp -146.63 96.79 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.132 -0.98 . . . . 0.0 110.419 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.6 mmt-85 -94.41 120.35 34.53 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.216 -0.927 . . . . 0.0 109.854 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.527 ' CB ' ' HA ' ' A' ' 19' ' ' THR . 26.4 p90 -156.58 176.92 12.08 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.204 -0.935 . . . . 0.0 110.606 -179.657 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.421 ' O ' ' HG2' ' A' ' 17' ' ' ABA . 24.4 m-85 -134.98 176.17 8.91 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.459 -0.776 . . . . 0.0 109.687 179.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -127.78 138.35 52.71 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.13 -0.981 . . . . 0.0 110.478 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -142.85 63.02 1.39 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.348 -0.845 . . . . 0.0 110.14 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.12 -25.44 5.17 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.27 -0.894 . . . . 0.0 110.256 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -53.75 -74.68 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.262 -0.899 . . . . 0.0 109.387 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.43 -5.24 31.32 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.257 -0.902 . . . . 0.0 109.34 179.013 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.451 ' O ' HD13 ' A' ' 16' ' ' LEU . . . 74.07 46.41 22.2 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.451 HD13 ' O ' ' A' ' 15' ' ' GLY . 0.9 OUTLIER -133.21 165.67 24.25 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.263 -1.14 . . . . 0.0 110.301 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ABA . . . . . 0.575 ' HB2' ' CZ ' ' B' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 17' ' ' ABA . 0.6 OUTLIER -42.49 127.53 3.79 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.286 -0.884 . . . . 0.0 110.395 -179.822 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.527 ' HA ' ' CB ' ' A' ' 8' ' ' TYR . 5.2 m -137.88 95.27 3.01 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.296 -0.878 . . . . 0.0 110.113 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -103.14 107.78 18.72 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.182 -0.949 . . . . 0.0 109.949 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.528 ' CG1' ' HA ' ' A' ' 6' ' ' ILE . 3.8 m -121.33 151.31 24.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.246 -0.909 . . . . 0.0 110.354 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.567 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 27.8 p90 -140.41 125.71 18.77 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.306 -0.871 . . . . 0.0 110.092 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.464 ' HA2' ' HB3' ' A' ' 4' ' ' CLG . . . -58.01 153.91 24.95 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.635 -1.386 . . . . 0.0 109.635 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.449 ' HA3' ' HE3' ' B' ' 2' ' ' LYS . . . -171.51 32.55 0.14 Allowed Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.411 -1.476 . . . . 0.0 109.411 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 45.6 t -151.06 -56.74 0.16 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.305 -1.115 . . . . 0.0 110.206 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.408 0 O-C-N 119.888 -1.758 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' MPT . . . . . 0.411 ' HB2' ' HB3' ' B' ' 25' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.449 ' HE3' ' HA3' ' A' ' 24' ' ' GLY . 17.1 tptm 51.37 70.81 0.5 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.276 -0.89 . . . . 0.0 110.241 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -108.56 47.65 0.9 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.264 -0.897 . . . . 0.0 110.252 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 -135.64 97.37 3.65 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.219 -0.926 . . . . 0.0 110.143 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 29.6 mt -131.62 134.18 60.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.264 -0.898 . . . . 0.0 110.254 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.448 ' O ' ' O ' ' A' ' 21' ' ' VAL . 72.4 mt -129.12 151.13 35.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.286 -0.884 . . . . 0.0 110.194 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . 0.507 ' HB3' ' CD2' ' B' ' 20' ' ' PHE . 2.9 ttt180 -127.46 98.52 5.27 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.282 -0.886 . . . . 0.0 110.308 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . 0.478 ' O ' ' HB ' ' A' ' 19' ' ' THR . 12.7 m-85 -94.11 113.29 25.22 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.248 -0.908 . . . . 0.0 110.009 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . 0.624 ' CG ' ' O ' ' B' ' 9' ' ' PHE . 4.5 t80 -125.95 35.13 4.74 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.058 -1.026 . . . . 0.0 110.495 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . 0.603 ' HA ' ' NE2' ' B' ' 18' ' ' GLN . 1.3 p90 -43.14 122.43 2.49 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.946 -1.096 . . . . 0.0 110.237 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . 0.492 ' O ' ' HA ' ' B' ' 16' ' ' CLH . 13.9 p30 -122.13 166.34 14.7 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.181 -0.949 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.02 -118.19 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.026 -1.046 . . . . 0.0 110.137 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.454 ' O ' ' HG2' ' B' ' 13' ' ' LYS . 1.9 tttm 47.59 51.42 13.88 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.937 -1.102 . . . . 0.0 110.592 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' B' ' 13' ' ' LYS . 3.4 m-20 41.36 60.53 2.06 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.286 -0.884 . . . . 0.0 110.341 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 156.94 104.57 0.21 Allowed Glycine 0 N--CA 1.489 2.184 0 N-CA-C 108.995 -1.642 . . . . 0.0 108.995 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' CLH . . . . . 0.505 ' HD2' ' C ' ' B' ' 16' ' ' CLH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' ABA . . . . . 0.612 ' C ' ' CG ' ' B' ' 18' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.616 ' OE1' ' N ' ' B' ' 9' ' ' PHE . 0.0 OUTLIER 167.05 66.39 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.4 -0.812 . . . . 0.0 110.801 -177.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.468 HG23 ' CE1' ' B' ' 8' ' ' TYR . 37.6 m -101.5 123.43 45.53 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.281 -0.887 . . . . 0.0 110.074 179.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.507 ' CD2' ' HB3' ' B' ' 7' ' ' ARG . 5.9 m-85 -114.29 126.99 55.65 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.238 -0.914 . . . . 0.0 110.184 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.45 HG11 ' O ' ' B' ' 21' ' ' VAL . 7.3 p -116.98 127.41 74.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.19 -0.944 . . . . 0.0 110.21 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -128.79 98.02 4.85 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.184 -0.948 . . . . 0.0 110.148 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -100.23 91.64 1.02 Allowed Glycine 0 N--CA 1.489 2.191 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . 0.433 ' O ' ' HB2' ' B' ' 25' ' ' CYS . . . -138.49 12.37 3.48 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.629 -1.389 . . . . 0.0 109.629 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' CYS . . . . . 0.433 ' HB2' ' O ' ' B' ' 24' ' ' GLY . 92.2 m 54.53 17.19 1.54 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.158 -1.201 . . . . 0.0 110.182 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 119.866 -1.771 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.973 HG22 ' O ' ' A' ' 22' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.089 0.471 . . . . 0.0 110.047 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.476 ' N ' HG23 ' A' ' 5' ' ' ILE . 21.7 mt -142.17 132.19 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.019 -1.051 . . . . 0.0 110.56 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.472 ' NE ' ' HA ' ' A' ' 7' ' ' ARG . 9.0 tpm_? -154.67 88.52 1.2 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.31 -0.869 . . . . 0.0 109.777 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.583 ' CD1' ' C ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -131.94 -177.54 4.49 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.393 -0.817 . . . . 0.0 111.292 -179.436 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.501 ' O ' ' O ' ' A' ' 10' ' ' TYR . 23.6 m-85 -133.0 20.42 4.11 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.119 -0.988 . . . . 0.0 110.008 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.516 ' O ' ' CB ' ' A' ' 11' ' ' ASN . 8.4 t80 48.22 170.59 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.752 0 CA-C-O 121.867 0.841 . . . . 0.0 111.513 179.314 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.521 ' O ' ' O ' ' A' ' 12' ' ' ALA . 0.6 OUTLIER 162.35 67.24 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.521 ' O ' ' O ' ' A' ' 11' ' ' ASN . . . -44.13 -103.47 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.469 -0.769 . . . . 0.0 110.967 -179.23 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.52 ' O ' ' CB ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER 45.74 84.84 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.619 -1.301 . . . . 0.0 109.203 -179.371 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.52 ' CB ' ' O ' ' A' ' 13' ' ' LYS . 3.4 m-20 74.45 0.19 3.51 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.73 -0.606 . . . . 0.0 109.615 -178.816 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.15 48.63 2.39 Favored Glycine 0 N--CA 1.492 2.387 0 C-N-CA 119.828 -1.177 . . . . 0.0 110.514 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.499 ' HB3' ' O ' ' A' ' 11' ' ' ASN . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.673 0 O-C-N 121.055 -1.262 . . . . 0.0 109.592 179.142 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.482 ' O ' ' HB2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.192 0.52 . . . . 0.0 109.627 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.562 HG22 ' O ' ' A' ' 19' ' ' THR . 27.6 m -105.01 80.92 1.67 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.488 -0.758 . . . . 0.0 111.394 -178.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.596 ' CD1' ' HB3' ' B' ' 7' ' ' ARG . 51.2 t80 -89.76 85.62 6.47 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 178.618 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.725 ' HB ' HG23 ' B' ' 6' ' ' ILE . 78.9 t -89.85 157.7 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.172 -0.955 . . . . 0.0 111.469 -178.011 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.973 ' O ' HG22 ' A' ' 5' ' ' ILE . 2.1 t80 -117.42 142.68 46.84 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.48 -0.762 . . . . 0.0 109.731 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.453 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . . . . . . 0 N--CA 1.49 2.278 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' ARG . . . . . 0.564 ' N ' HD13 ' B' ' 5' ' ' ILE . 17.0 tpt85 . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 121.286 0.565 . . . . 0.0 110.368 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.792 ' N ' HD13 ' B' ' 5' ' ' ILE . 0.0 OUTLIER -121.28 116.67 50.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.287 -0.883 . . . . 0.0 110.201 179.772 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.785 ' O ' HG23 ' B' ' 6' ' ' ILE . 0.1 OUTLIER -72.71 64.79 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.339 0 CA-C-O 122.683 1.23 . . . . 0.0 109.635 179.74 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 7' ' ' ARG . . . . . 0.876 ' NH1' HG22 ' B' ' 21' ' ' VAL . 0.0 OUTLIER -56.05 91.92 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.047 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.846 179.175 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 8' ' ' TYR . . . . . 0.652 ' CD2' HD12 ' B' ' 6' ' ' ILE . 0.1 OUTLIER -91.12 172.78 8.32 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.771 -0.581 . . . . 0.0 110.273 179.823 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 9' ' ' PHE . . . . . 0.549 ' HB3' ' CB ' ' B' ' 18' ' ' GLN . 58.8 t80 -150.22 67.89 0.98 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.273 -0.892 . . . . 0.0 110.087 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 10' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' B' ' 9' ' ' PHE . 6.7 t80 -42.56 102.6 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.288 -0.883 . . . . 0.0 110.208 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' ASN . . . . . 0.459 ' HA ' ' HG ' ' A' ' 16' ' ' LEU . 38.8 t-20 . . . . . 0 N--CA 1.491 1.615 0 O-C-N 121.268 -0.895 . . . . 0.0 110.165 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.549 ' CB ' ' HB3' ' B' ' 9' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.253 0.549 . . . . 0.0 110.113 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.727 HG22 HH11 ' B' ' 7' ' ' ARG . 0.2 OUTLIER -162.53 117.25 1.81 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.355 -0.84 . . . . 0.0 109.898 179.893 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.653 ' N ' ' HD3' ' B' ' 7' ' ' ARG . 2.2 m-85 -89.63 97.68 11.33 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.183 -0.948 . . . . 0.0 110.138 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.876 HG22 ' NH1' ' B' ' 7' ' ' ARG . 97.7 t . . . . . 0 N--CA 1.492 1.673 0 O-C-N 120.767 -1.208 . . . . 0.0 110.561 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.673 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.231 0.538 . . . . 0.0 109.951 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.961 ' HA ' HG22 ' A' ' 21' ' ' VAL . 57.1 mt -83.48 160.22 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.307 -0.871 . . . . 0.0 110.526 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.457 ' NH1' ' CE1' ' A' ' 9' ' ' PHE . 0.0 OUTLIER 173.68 103.92 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.333 -0.854 . . . . 0.0 109.89 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.746 ' HB3' HG23 ' A' ' 19' ' ' THR . 49.7 p90 -127.33 179.23 5.57 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.171 -0.955 . . . . 0.0 110.526 -179.582 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.457 ' CE1' ' NH1' ' A' ' 7' ' ' ARG . 26.6 m-85 -128.44 111.82 13.72 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.371 -0.831 . . . . 0.0 109.955 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -69.42 139.45 54.05 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.256 -0.903 . . . . 0.0 110.446 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.48 ' HB3' ' OD1' ' A' ' 14' ' ' ASP . 55.1 m-80 -145.52 73.2 1.34 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.277 -0.889 . . . . 0.0 110.025 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.54 -35.36 63.14 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.325 -0.859 . . . . 0.0 110.367 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.95 -82.07 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.207 -0.933 . . . . 0.0 109.321 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.48 ' OD1' ' HB3' ' A' ' 11' ' ' ASN . 39.8 p-10 -75.44 -0.93 21.73 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.323 -0.861 . . . . 0.0 109.356 179.003 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 11' ' ' ASN . . . 61.39 34.89 89.93 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.947 HD12 ' HA ' ' B' ' 11' ' ' ASN . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.279 -1.13 . . . . 0.0 110.216 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.6 ' CG ' ' CD1' ' B' ' 9' ' ' PHE . 1.5 tm0? . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.169 0.509 . . . . 0.0 110.206 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.746 HG23 ' HB3' ' A' ' 8' ' ' TYR . 49.3 m -133.43 151.47 51.8 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.263 -0.898 . . . . 0.0 110.242 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.515 ' HA ' ' HB2' ' B' ' 7' ' ' ARG . 0.4 OUTLIER -149.74 98.99 2.82 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.327 -0.858 . . . . 0.0 110.289 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.961 HG22 ' HA ' ' A' ' 6' ' ' ILE . 64.6 t -98.01 -79.31 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.266 -0.896 . . . . 0.0 110.075 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.592 ' CG ' ' HB ' ' B' ' 5' ' ' ILE . 1.0 OUTLIER 69.56 116.75 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.442 -0.786 . . . . 0.0 110.354 179.75 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.254 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.257 0.551 . . . . 0.0 110.407 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.592 ' HB ' ' CG ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -112.6 173.54 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.258 -0.901 . . . . 0.0 109.165 179.649 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.71 HG23 ' HB ' ' A' ' 21' ' ' VAL . 12.3 tt -170.46 140.72 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.031 -1.043 . . . . 0.0 110.647 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 7' ' ' ARG . . . . . 0.619 ' HG2' ' CZ ' ' B' ' 20' ' ' PHE . 0.0 OUTLIER -172.23 147.71 2.04 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.335 -0.853 . . . . 0.0 110.107 179.634 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 8' ' ' TYR . . . . . 0.653 ' CD1' HG23 ' B' ' 19' ' ' THR . 0.7 OUTLIER -115.87 116.59 28.26 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.718 -0.614 . . . . 0.0 109.365 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 9' ' ' PHE . . . . . 0.6 ' CD1' ' CG ' ' A' ' 18' ' ' GLN . 5.7 t80 -150.53 100.59 2.87 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.917 -1.114 . . . . 0.0 111.089 -179.294 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 10' ' ' TYR . . . . . 0.475 ' O ' ' HB2' ' B' ' 11' ' ' ASN . 10.7 t80 -114.76 -86.36 0.6 Allowed 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.028 -1.045 . . . . 0.0 109.92 178.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 11' ' ' ASN . . . . . 0.947 ' HA ' HD12 ' A' ' 16' ' ' LEU . 9.0 t30 . . . . . 0 N--CA 1.491 1.623 0 O-C-N 121.513 -0.742 . . . . 0.0 110.021 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.516 ' CB ' ' O ' ' B' ' 9' ' ' PHE . 22.3 tt0 . . . . . 0 N--CA 1.503 2.199 0 CA-C-O 121.344 0.593 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.653 HG23 ' CD1' ' B' ' 8' ' ' TYR . 18.6 m -97.21 110.04 22.67 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.413 -0.804 . . . . 0.0 111.128 -178.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.619 ' CZ ' ' HG2' ' B' ' 7' ' ' ARG . 38.9 p90 -133.64 128.3 34.79 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.172 -0.955 . . . . 0.0 110.121 178.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.472 HG13 ' HB ' ' B' ' 6' ' ' ILE . 1.4 t . . . . . 0 N--CA 1.495 1.784 0 O-C-N 121.376 -0.827 . . . . 0.0 110.336 -179.316 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.633 ' O ' HG13 ' A' ' 21' ' ' VAL . 2.8 mp . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 121.296 0.57 . . . . 0.0 110.442 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.802 HD12 ' CG2' ' A' ' 21' ' ' VAL . 0.5 OUTLIER -143.75 107.35 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.285 -0.885 . . . . 0.0 110.098 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.49 140.99 52.01 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.275 -0.89 . . . . 0.0 110.244 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.443 ' O ' ' CD1' ' A' ' 9' ' ' PHE . 0.3 OUTLIER -119.92 142.3 48.84 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.3 -0.875 . . . . 0.0 110.256 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.443 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 43.4 m-85 -143.28 104.21 4.23 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.306 -0.871 . . . . 0.0 110.143 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -56.38 139.33 49.07 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.207 -0.933 . . . . 0.0 110.235 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.467 ' O ' ' O ' ' A' ' 12' ' ' ALA . 9.9 t30 -150.46 93.62 2.0 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.302 -0.874 . . . . 0.0 110.038 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.467 ' O ' ' O ' ' A' ' 11' ' ' ASN . . . -58.22 -116.93 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.327 -0.858 . . . . 0.0 110.142 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER 51.53 80.52 0.08 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.811 -1.18 . . . . 0.0 109.349 -179.678 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.458 ' CB ' ' O ' ' A' ' 13' ' ' LYS . 4.9 t70 67.78 8.03 6.13 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.333 -0.855 . . . . 0.0 109.409 -178.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 71.3 94.07 0.07 OUTLIER Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.606 -1.398 . . . . 0.0 109.606 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 tp . . . . . 0 N--CA 1.49 1.561 0 O-C-N 121.255 -1.144 . . . . 0.0 110.199 179.943 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.474 ' HG2' ' CE2' ' B' ' 9' ' ' PHE . 15.6 mt-30 . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.178 0.513 . . . . 0.0 110.214 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.449 ' HB ' ' HB3' ' B' ' 8' ' ' TYR . 49.4 m -131.08 121.96 25.9 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.303 -0.873 . . . . 0.0 110.188 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -118.32 134.86 54.68 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.327 -0.858 . . . . 0.0 110.244 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.802 ' CG2' HD12 ' A' ' 6' ' ' ILE . 16.5 t -126.7 145.62 33.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.22 -0.925 . . . . 0.0 110.153 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.589 ' HA ' HG23 ' B' ' 5' ' ' ILE . 28.1 p90 -138.83 122.7 17.71 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.184 -0.948 . . . . 0.0 110.125 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.3 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 -179.927 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.244 0.545 . . . . 0.0 110.586 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.736 HG23 ' O ' ' A' ' 21' ' ' VAL . 92.1 mt -90.66 150.23 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.09 -1.007 . . . . 0.0 110.212 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 76.9 mt -131.29 118.97 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.24 -0.912 . . . . 0.0 110.225 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' ARG . . . . . 0.49 ' O ' ' HA ' ' B' ' 19' ' ' THR . 3.6 mtm180 -74.07 155.34 38.61 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.254 -0.904 . . . . 0.0 110.15 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 8' ' ' TYR . . . . . 0.554 ' O ' ' CD1' ' B' ' 9' ' ' PHE . 2.5 m-85 -149.0 158.31 44.09 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.379 -0.826 . . . . 0.0 110.193 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 9' ' ' PHE . . . . . 0.554 ' CD1' ' O ' ' B' ' 8' ' ' TYR . 8.5 m-85 -146.6 79.84 1.54 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.195 -0.941 . . . . 0.0 110.255 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -50.46 107.51 0.17 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.226 -0.922 . . . . 0.0 110.234 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.578 0 O-C-N 121.28 -0.888 . . . . 0.0 110.145 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.511 ' HB3' ' CZ ' ' B' ' 20' ' ' PHE . 21.6 mt-30 . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.184 0.516 . . . . 0.0 109.936 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.57 ' O ' ' CD1' ' B' ' 20' ' ' PHE . 5.5 t -105.1 150.74 24.76 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.166 -0.959 . . . . 0.0 110.424 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.57 ' CD1' ' O ' ' B' ' 19' ' ' THR . 6.5 m-85 -134.67 -161.6 1.16 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.21 -0.932 . . . . 0.0 110.188 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 32.9 m . . . . . 0 N--CA 1.491 1.587 0 O-C-N 121.298 -0.876 . . . . 0.0 110.373 -179.946 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 44.6 mt . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.275 0.559 . . . . 0.0 110.172 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.8 mt -76.37 100.75 2.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.309 -0.87 . . . . 0.0 110.183 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 20' ' ' PHE . 0.8 OUTLIER -117.5 133.45 55.95 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.301 -0.874 . . . . 0.0 110.2 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.55 ' O ' ' CD1' ' A' ' 9' ' ' PHE . 27.1 p90 -144.1 -172.55 3.79 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.211 -0.931 . . . . 0.0 110.253 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.55 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 43.9 m-85 -148.56 -164.78 2.1 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.313 -0.867 . . . . 0.0 110.162 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -142.49 110.47 5.92 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.242 -0.911 . . . . 0.0 110.259 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -99.4 80.89 2.46 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.266 -0.896 . . . . 0.0 110.158 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.25 -27.03 69.07 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.258 -0.901 . . . . 0.0 110.216 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.77 -80.33 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.238 -0.914 . . . . 0.0 109.329 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.53 -2.89 24.58 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.33 -0.857 . . . . 0.0 109.445 178.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.45 56.16 23.26 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.441 ' CD1' ' HB2' ' B' ' 11' ' ' ASN . 5.8 tp . . . . . 0 N--CA 1.492 1.641 0 O-C-N 121.328 -1.101 . . . . 0.0 110.241 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.495 ' HG2' ' CZ ' ' B' ' 9' ' ' PHE . 3.7 mt-30 . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 121.221 0.534 . . . . 0.0 110.215 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.622 HG22 ' HB2' ' B' ' 8' ' ' TYR . 43.4 m -122.17 96.56 5.1 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.238 -0.914 . . . . 0.0 110.208 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.407 ' O ' ' O ' ' A' ' 7' ' ' ARG . 52.8 t80 -101.3 118.96 38.02 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.282 -0.886 . . . . 0.0 110.198 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.474 HG12 ' N ' ' A' ' 22' ' ' TYR . 30.9 t -111.81 168.74 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.344 -0.848 . . . . 0.0 110.299 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.474 ' N ' HG12 ' A' ' 21' ' ' VAL . 7.4 t80 -140.04 113.26 8.35 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.229 -0.92 . . . . 0.0 110.198 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 -179.944 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.265 0.555 . . . . 0.0 110.177 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 12.2 mt -136.63 99.77 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.265 -0.897 . . . . 0.0 110.204 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.448 ' CG2' ' CE1' ' B' ' 8' ' ' TYR . 34.0 mt -71.17 117.63 14.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.31 -0.869 . . . . 0.0 110.202 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.23 120.94 37.44 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.252 -0.905 . . . . 0.0 110.171 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' TYR . . . . . 0.622 ' HB2' HG22 ' A' ' 19' ' ' THR . 1.9 m-85 -113.73 165.89 12.09 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.352 -0.842 . . . . 0.0 110.127 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' PHE . . . . . 0.495 ' CZ ' ' HG2' ' A' ' 18' ' ' GLN . 0.2 OUTLIER -149.51 135.23 18.63 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.209 -0.932 . . . . 0.0 110.327 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 10' ' ' TYR . . . . . 0.434 ' O ' ' CG ' ' B' ' 10' ' ' TYR . 28.3 t80 -114.87 38.09 3.26 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.247 -0.908 . . . . 0.0 110.251 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 11' ' ' ASN . . . . . 0.441 ' HB2' ' CD1' ' A' ' 16' ' ' LEU . 12.3 p30 . . . . . 0 N--CA 1.491 1.595 0 O-C-N 121.286 -0.884 . . . . 0.0 110.234 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.421 ' HB2' ' HB3' ' B' ' 9' ' ' PHE . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.268 0.556 . . . . 0.0 110.257 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -146.33 154.3 41.51 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.282 -0.886 . . . . 0.0 110.199 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -123.11 175.46 6.62 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.306 -0.871 . . . . 0.0 110.217 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 40.3 t . . . . . 0 N--CA 1.49 1.563 0 O-C-N 121.268 -0.895 . . . . 0.0 110.208 179.93 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' A' ' 6' ' ' ILE . 1.1 pt . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 121.215 0.531 . . . . 0.0 110.353 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.735 ' HA ' HG22 ' A' ' 21' ' ' VAL . 57.6 mt -43.55 150.67 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.322 -0.862 . . . . 0.0 109.728 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.441 ' HA ' ' HD2' ' A' ' 7' ' ' ARG . 3.0 tpt180 -163.15 110.48 1.21 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.109 -0.994 . . . . 0.0 110.588 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.56 ' CB ' ' O ' ' A' ' 18' ' ' GLN . 3.3 p90 -114.53 161.95 17.35 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.396 -0.815 . . . . 0.0 109.385 179.206 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.934 ' CE1' HD23 ' A' ' 16' ' ' LEU . 1.5 p90 -111.26 33.56 4.59 Favored 'General case' 0 N--CA 1.496 1.847 0 C-N-CA 118.339 -1.344 . . . . 0.0 110.951 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.598 ' CZ ' ' HB2' ' A' ' 12' ' ' ALA . 24.0 t80 1.05 -94.85 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.341 0 CA-C-O 121.346 0.594 . . . . 0.0 112.254 179.214 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.492 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 80.4 m-20 56.46 85.75 0.07 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.245 -0.91 . . . . 0.0 110.26 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.598 ' HB2' ' CZ ' ' A' ' 10' ' ' TYR . . . -74.43 -10.28 59.41 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.178 -0.951 . . . . 0.0 110.12 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.7 mttm -53.27 -75.02 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.225 -0.922 . . . . 0.0 109.459 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -72.32 -4.2 28.36 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.39 -0.818 . . . . 0.0 109.488 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.637 ' O ' HD12 ' A' ' 16' ' ' LEU . . . 78.49 70.83 1.28 Allowed Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.955 HD11 ' HB2' ' B' ' 11' ' ' ASN . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.634 0 O-C-N 121.359 -1.083 . . . . 0.0 110.113 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.652 ' HB3' ' CE2' ' A' ' 9' ' ' PHE . 1.4 tm0? . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.047 0.451 . . . . 0.0 110.363 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.471 ' HA ' ' HB3' ' A' ' 8' ' ' TYR . 10.9 m -115.23 94.7 4.84 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 121.173 0.511 . . . . 0.0 109.872 179.519 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -95.53 125.6 40.24 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.311 -0.868 . . . . 0.0 110.337 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.735 HG22 ' HA ' ' A' ' 6' ' ' ILE . 4.4 t -136.03 101.17 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.214 -0.929 . . . . 0.0 110.207 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.828 ' CD1' HG22 ' B' ' 5' ' ' ILE . 1.8 t80 -106.09 66.46 0.72 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.191 -0.943 . . . . 0.0 110.526 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.45 ' O ' ' HG2' ' B' ' 4' ' ' ARG . . . . . . . . 0 N--CA 1.491 2.361 0 N-CA-C 109.969 -1.252 . . . . 0.0 109.969 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' ARG . . . . . 0.531 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 3.2 tpt180 . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.281 0.562 . . . . 0.0 109.777 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.828 HG22 ' CD1' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -128.29 53.46 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.692 -0.63 . . . . 0.0 110.732 -179.743 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 1.016 HD12 HG21 ' B' ' 21' ' ' VAL . 1.0 OUTLIER -49.62 118.22 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.02 -1.05 . . . . 0.0 109.473 179.484 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 7' ' ' ARG . . . . . 0.542 ' HD3' ' CE1' ' B' ' 20' ' ' PHE . 0.0 OUTLIER -127.9 153.85 46.19 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.247 -0.908 . . . . 0.0 110.489 -179.617 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 8' ' ' TYR . . . . . 0.736 ' CD1' HG23 ' B' ' 19' ' ' THR . 94.9 m-85 -135.14 74.37 1.52 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.538 -0.726 . . . . 0.0 110.18 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' PHE . . . . . 0.573 ' CB ' ' HG3' ' A' ' 18' ' ' GLN . 5.6 t80 -89.92 127.78 36.09 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.167 -0.958 . . . . 0.0 110.434 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 10' ' ' TYR . . . . . 0.464 ' O ' ' O ' ' B' ' 11' ' ' ASN . 35.6 t80 -152.24 52.98 0.8 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.279 -0.888 . . . . 0.0 110.098 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 11' ' ' ASN . . . . . 0.955 ' HB2' HD11 ' A' ' 16' ' ' LEU . 19.2 p-10 . . . . . 0 N--CA 1.492 1.656 0 O-C-N 121.334 -0.854 . . . . 0.0 110.243 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.592 ' HG2' ' CE2' ' B' ' 20' ' ' PHE . 31.0 tt0 . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.315 0.579 . . . . 0.0 110.373 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.736 HG23 ' CD1' ' B' ' 8' ' ' TYR . 23.4 m -111.36 85.77 2.19 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.265 -0.897 . . . . 0.0 109.61 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.592 ' CE2' ' HG2' ' B' ' 18' ' ' GLN . 4.6 p90 -150.41 162.73 40.0 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.095 -1.003 . . . . 0.0 111.06 -179.041 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 1.016 HG21 HD12 ' B' ' 6' ' ' ILE . 8.0 p . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.603 -0.686 . . . . 0.0 109.748 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.541 HG23 ' O ' ' A' ' 5' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 121.177 0.513 . . . . 0.0 110.229 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.434 HG22 ' CD1' ' A' ' 8' ' ' TYR . 17.8 mt -98.62 77.8 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.283 -0.885 . . . . 0.0 110.217 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -93.76 102.0 14.13 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.209 -0.932 . . . . 0.0 110.136 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.533 ' O ' ' CD1' ' A' ' 9' ' ' PHE . 31.1 p90 -134.52 177.16 7.99 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.224 -0.922 . . . . 0.0 110.23 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.533 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 11.8 m-85 -134.08 72.72 1.47 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.279 -0.888 . . . . 0.0 110.108 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -50.72 147.47 4.76 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.218 -0.926 . . . . 0.0 110.3 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.422 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 20.9 t-20 -164.81 76.49 0.3 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.294 -0.879 . . . . 0.0 110.059 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.58 -31.71 64.51 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.315 -0.866 . . . . 0.0 110.172 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.82 -71.6 0.06 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.175 -0.953 . . . . 0.0 109.238 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.21 -2.44 48.71 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.442 -0.786 . . . . 0.0 109.305 178.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.476 ' O ' ' O ' ' B' ' 11' ' ' ASN . . . 69.96 12.66 68.48 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.433 ' HA ' ' O ' ' B' ' 11' ' ' ASN . 1.6 tt . . . . . 0 N--CA 1.492 1.662 0 O-C-N 121.293 -1.122 . . . . 0.0 110.141 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.417 ' O ' ' HA ' ' A' ' 8' ' ' TYR . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.249 0.547 . . . . 0.0 110.124 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.461 ' HB ' ' O ' ' B' ' 8' ' ' TYR . 17.1 m -102.32 89.89 3.72 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.165 -0.96 . . . . 0.0 110.292 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.624 ' CE2' ' NH1' ' B' ' 7' ' ' ARG . 1.9 t80 -94.23 121.17 35.47 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.281 -0.887 . . . . 0.0 110.16 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.8 t -116.58 161.97 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.269 -0.895 . . . . 0.0 110.403 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.742 ' CE1' HD12 ' B' ' 5' ' ' ILE . 10.9 t80 -167.07 177.3 6.34 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.253 -0.905 . . . . 0.0 110.234 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.221 0 N-CA-C 109.476 -1.449 . . . . 0.0 109.476 179.907 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.576 0.703 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.742 HD12 ' CE1' ' A' ' 22' ' ' TYR . 9.9 tt -144.03 76.38 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 O-C-N 121.508 -0.745 . . . . 0.0 110.282 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.675 HD11 ' OH ' ' B' ' 8' ' ' TYR . 7.4 tt -110.24 174.07 2.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.302 -0.874 . . . . 0.0 110.112 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 7' ' ' ARG . . . . . 0.624 ' NH1' ' CE2' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -165.92 113.11 0.91 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.237 -0.914 . . . . 0.0 110.508 -179.9 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 8' ' ' TYR . . . . . 0.675 ' OH ' HD11 ' B' ' 6' ' ' ILE . 91.3 m-85 -101.33 123.92 46.2 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.422 -0.799 . . . . 0.0 109.9 179.686 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' PHE . . . . . 0.53 ' O ' ' CB ' ' B' ' 18' ' ' GLN . 11.8 t80 -150.58 94.1 2.05 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.022 -1.049 . . . . 0.0 110.916 -179.717 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 10' ' ' TYR . . . . . 0.597 ' CG ' ' N ' ' B' ' 11' ' ' ASN . 1.3 t80 -76.04 -87.33 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.952 -1.092 . . . . 0.0 109.704 179.251 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 11' ' ' ASN . . . . . 0.597 ' N ' ' CG ' ' B' ' 10' ' ' TYR . 4.3 t-20 . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.53 ' CB ' ' O ' ' B' ' 9' ' ' PHE . 1.7 tt0 . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.609 ' CG2' ' CE2' ' B' ' 8' ' ' TYR . 36.3 m -103.24 143.58 32.45 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.418 -0.801 . . . . 0.0 110.467 -179.461 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.449 ' O ' HG13 ' B' ' 6' ' ' ILE . 13.0 m-30 -103.27 123.32 46.55 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.358 -0.839 . . . . 0.0 110.073 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 38.5 t . . . . . 0 N--CA 1.491 1.618 0 O-C-N 121.198 -0.939 . . . . 0.0 110.2 -179.789 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.758 ' O ' HG23 ' A' ' 21' ' ' VAL . 5.8 mt . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 121.197 0.522 . . . . 0.0 110.221 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.584 ' N ' HG22 ' A' ' 5' ' ' ILE . 15.2 mm -143.89 115.47 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.197 -0.939 . . . . 0.0 110.297 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.418 ' HG3' ' C ' ' A' ' 6' ' ' ILE . 1.4 mtp-105 -129.68 111.28 12.51 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.254 -0.904 . . . . 0.0 110.156 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.751 ' HB3' HG23 ' A' ' 19' ' ' THR . 52.9 p90 -130.57 176.64 8.0 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.218 -0.926 . . . . 0.0 110.319 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.466 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 30.6 m-85 -146.3 89.53 1.87 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.307 -0.871 . . . . 0.0 110.184 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.426 ' C ' ' O ' ' A' ' 9' ' ' PHE . 33.6 t80 -42.42 106.86 0.07 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.312 -0.868 . . . . 0.0 110.351 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.422 ' HB3' ' OD1' ' A' ' 14' ' ' ASP . 1.0 OUTLIER -106.11 96.23 6.33 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.256 -0.903 . . . . 0.0 110.144 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.97 -26.7 59.78 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.166 -0.959 . . . . 0.0 110.243 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -50.85 -75.54 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.231 -0.918 . . . . 0.0 109.372 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.457 ' N ' ' OD1' ' A' ' 14' ' ' ASP . 31.5 p-10 -78.44 0.52 25.5 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.4 -0.813 . . . . 0.0 109.476 178.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.917 ' O ' HD22 ' A' ' 16' ' ' LEU . . . 57.97 62.18 6.59 Favored Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.367 -1.493 . . . . 0.0 109.367 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.917 HD22 ' O ' ' A' ' 15' ' ' GLY . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.29 -1.124 . . . . 0.0 110.111 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.509 ' N ' ' O ' ' A' ' 16' ' ' LEU . 1.6 tt0 . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.214 0.53 . . . . 0.0 110.544 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.751 HG23 ' HB3' ' A' ' 8' ' ' TYR . 17.3 m -116.59 90.46 3.34 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.309 -0.869 . . . . 0.0 109.812 179.645 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.594 ' CD2' ' HD2' ' B' ' 7' ' ' ARG . 0.2 OUTLIER -89.53 124.28 34.38 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.32 -0.862 . . . . 0.0 110.387 -179.663 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.987 HG13 HG23 ' B' ' 6' ' ' ILE . 1.9 p -121.6 158.95 24.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.288 -0.882 . . . . 0.0 110.262 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.513 ' HA ' ' HA ' ' B' ' 5' ' ' ILE . 19.6 t80 -114.18 112.65 23.52 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.25 -0.906 . . . . 0.0 110.027 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.201 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 -179.849 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 4' ' ' ARG . . . . . 0.404 ' HA ' ' HD3' ' B' ' 4' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.236 0.541 . . . . 0.0 110.226 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.513 ' HA ' ' HA ' ' A' ' 22' ' ' TYR . 15.2 mt -82.61 86.66 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.138 -0.976 . . . . 0.0 110.113 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.987 HG23 HG13 ' A' ' 21' ' ' VAL . 2.0 tt -54.01 133.46 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.174 -0.954 . . . . 0.0 110.091 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 7' ' ' ARG . . . . . 0.594 ' HD2' ' CD2' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -102.32 96.73 7.15 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.164 -0.96 . . . . 0.0 110.273 -179.812 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 8' ' ' TYR . . . . . 0.661 ' CE2' HG21 ' B' ' 19' ' ' THR . 0.3 OUTLIER -80.11 63.41 4.6 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.249 -0.907 . . . . 0.0 110.129 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 9' ' ' PHE . . . . . 0.696 ' CE1' HD12 ' A' ' 16' ' ' LEU . 78.7 t80 -89.96 118.7 29.73 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.254 -0.904 . . . . 0.0 109.941 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 10' ' ' TYR . . . . . 0.575 ' CE1' ' O ' ' B' ' 11' ' ' ASN . 7.5 t80 -124.38 146.61 48.76 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.261 -0.9 . . . . 0.0 110.535 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 11' ' ' ASN . . . . . 0.715 ' ND2' HD21 ' A' ' 16' ' ' LEU . 12.3 t-20 . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.389 -0.819 . . . . 0.0 109.613 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.519 ' CB ' ' O ' ' B' ' 9' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.294 0.569 . . . . 0.0 110.144 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.661 HG21 ' CE2' ' B' ' 8' ' ' TYR . 21.5 p -105.8 125.34 50.88 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.19 -0.944 . . . . 0.0 110.239 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.508 ' CZ ' ' HG2' ' B' ' 7' ' ' ARG . 35.2 p90 -150.12 154.64 38.41 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.267 -0.896 . . . . 0.0 110.308 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.946 HG12 ' HA ' ' B' ' 6' ' ' ILE . 4.2 m . . . . . 0 N--CA 1.493 1.693 0 O-C-N 121.321 -0.862 . . . . 0.0 110.107 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.675 HG23 ' O ' ' A' ' 5' ' ' ILE . 6.8 tt . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.291 0.567 . . . . 0.0 110.221 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.684 ' HA ' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -56.7 84.31 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.255 -0.903 . . . . 0.0 110.283 -179.858 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.503 ' CB ' ' O ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -75.19 81.95 2.34 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.246 -0.909 . . . . 0.0 109.963 179.758 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.823 ' CE1' HG23 ' A' ' 19' ' ' THR . 6.8 m-85 -96.98 125.77 41.64 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.244 -0.91 . . . . 0.0 110.51 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.523 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 17.5 m-85 -141.97 125.91 17.19 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.288 -0.882 . . . . 0.0 109.785 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.496 ' HA ' ' O ' ' A' ' 16' ' ' LEU . 11.9 t80 -120.71 148.87 43.36 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.179 -0.951 . . . . 0.0 110.731 -179.658 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.47 ' O ' ' N ' ' A' ' 15' ' ' GLY . 48.2 t-20 -137.07 90.23 2.51 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.451 -0.781 . . . . 0.0 109.882 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.55 -36.79 36.15 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.34 -0.85 . . . . 0.0 110.338 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.503 ' CA ' ' HE3' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -49.11 -80.65 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.158 -0.964 . . . . 0.0 109.371 179.783 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -74.69 -2.0 24.33 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.356 -0.84 . . . . 0.0 109.362 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 11' ' ' ASN . . . 60.21 71.11 0.83 Allowed Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.496 ' O ' ' HA ' ' A' ' 10' ' ' TYR . 1.5 tt . . . . . 0 N--CA 1.492 1.643 0 O-C-N 121.233 -1.157 . . . . 0.0 110.293 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.456 ' HG3' ' CE2' ' A' ' 20' ' ' PHE . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.108 0.48 . . . . 0.0 110.021 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.823 HG23 ' CE1' ' A' ' 8' ' ' TYR . 20.2 m -147.42 64.96 1.14 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.274 -0.891 . . . . 0.0 110.349 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.575 ' CD1' ' HG2' ' B' ' 7' ' ' ARG . 14.5 m-30 -90.89 151.67 21.04 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.279 -0.888 . . . . 0.0 110.055 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.718 HG22 HG13 ' B' ' 6' ' ' ILE . 13.0 m -143.03 -162.74 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.15 -0.968 . . . . 0.0 110.413 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.431 ' CD2' HG13 ' B' ' 5' ' ' ILE . 3.3 t80 -176.59 94.57 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.233 -0.917 . . . . 0.0 110.15 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' B' ' 4' ' ' ARG . . . . . . . . 0 N--CA 1.491 2.339 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' ARG . . . . . 0.448 ' O ' ' O ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.252 0.549 . . . . 0.0 110.191 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.764 HD13 ' C ' ' B' ' 5' ' ' ILE . 0.0 OUTLIER -154.5 137.24 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.289 -0.882 . . . . 0.0 110.272 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.718 HG13 HG22 ' A' ' 21' ' ' VAL . 34.1 pt -123.56 151.01 27.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.327 -0.858 . . . . 0.0 110.017 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 7' ' ' ARG . . . . . 0.575 ' HG2' ' CD1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -113.27 73.35 0.81 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.278 -0.889 . . . . 0.0 110.411 -179.902 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 8' ' ' TYR . . . . . 0.484 ' HB2' ' O ' ' A' ' 19' ' ' THR . 1.0 OUTLIER -64.93 142.94 58.26 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.135 -0.978 . . . . 0.0 109.972 179.716 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 9' ' ' PHE . . . . . 0.522 ' HB3' ' CB ' ' B' ' 18' ' ' GLN . 0.2 OUTLIER -143.92 91.17 2.2 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.129 -0.982 . . . . 0.0 110.334 -179.778 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 10' ' ' TYR . . . . . 0.474 ' O ' ' O ' ' B' ' 11' ' ' ASN . 30.2 t80 -54.68 -72.34 0.07 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.24 -0.912 . . . . 0.0 110.338 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 11' ' ' ASN . . . . . 0.474 ' O ' ' O ' ' B' ' 10' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.736 0 O-C-N 121.433 -0.792 . . . . 0.0 110.44 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.522 ' CB ' ' HB3' ' B' ' 9' ' ' PHE . 6.5 mt-30 . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 121.307 0.575 . . . . 0.0 110.182 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.522 HG22 HG13 ' B' ' 21' ' ' VAL . 85.9 m -104.0 135.93 44.59 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.219 -0.926 . . . . 0.0 110.286 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.477 ' CD1' ' C ' ' B' ' 19' ' ' THR . 3.5 m-85 -120.69 90.49 3.33 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.232 -0.917 . . . . 0.0 110.045 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.586 ' O ' HG23 ' B' ' 21' ' ' VAL . 14.6 m . . . . . 0 N--CA 1.491 1.578 0 O-C-N 121.26 -0.9 . . . . 0.0 110.372 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.613 HG22 ' H ' ' A' ' 6' ' ' ILE . 22.5 mt . . . . . 0 N--CA 1.494 1.74 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.613 ' H ' HG22 ' A' ' 5' ' ' ILE . 2.5 mt -40.05 94.24 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.329 -0.857 . . . . 0.0 110.51 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.638 ' CB ' ' CE2' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -125.29 135.47 52.53 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.302 -0.874 . . . . 0.0 110.177 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.716 ' CZ ' HG23 ' A' ' 19' ' ' THR . 9.6 m-85 -126.14 110.02 13.02 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.422 -0.799 . . . . 0.0 110.293 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.529 ' CD1' ' N ' ' A' ' 9' ' ' PHE . 14.7 m-85 -128.05 92.67 3.5 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.237 -0.915 . . . . 0.0 109.818 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.424 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 8.9 t80 -97.46 85.33 3.61 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.269 -0.894 . . . . 0.0 110.612 -179.505 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.504 ' ND2' ' OD1' ' A' ' 14' ' ' ASP . 23.1 p30 -68.23 115.4 7.64 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.255 -0.903 . . . . 0.0 109.516 179.413 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.46 -23.5 66.28 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.288 -0.883 . . . . 0.0 110.302 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.85 -72.78 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.156 -0.965 . . . . 0.0 109.112 179.55 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.504 ' OD1' ' ND2' ' A' ' 11' ' ' ASN . 17.0 p-10 -87.67 0.28 55.9 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.4 -0.813 . . . . 0.0 109.165 178.626 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.22 67.09 2.31 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.84 HD12 ' O ' ' B' ' 10' ' ' TYR . 20.2 tp . . . . . 0 N--CA 1.493 1.703 0 O-C-N 121.123 -1.222 . . . . 0.0 110.364 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.525 ' HA ' ' CB ' ' B' ' 9' ' ' PHE . 18.7 tt0 . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.363 0.601 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.716 HG23 ' CZ ' ' A' ' 8' ' ' TYR . 1.2 m -115.76 101.31 8.7 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.443 -0.786 . . . . 0.0 109.835 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.638 ' CE2' ' CB ' ' A' ' 7' ' ' ARG . 2.5 p90 -116.53 117.85 31.01 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.957 -1.089 . . . . 0.0 109.75 179.617 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.77 HG23 ' O ' ' A' ' 21' ' ' VAL . 15.7 m -113.52 91.3 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.286 -0.884 . . . . 0.0 110.525 -179.115 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.808 ' HB2' HG22 ' B' ' 6' ' ' ILE . 0.4 OUTLIER 159.75 92.27 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -179.854 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.277 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 -179.187 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 4' ' ' ARG . . . . . 0.606 ' HB2' ' CD2' ' A' ' 22' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 121.227 0.537 . . . . 0.0 110.312 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.804 HD13 ' H ' ' B' ' 5' ' ' ILE . 0.1 OUTLIER -143.19 124.73 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.262 -0.899 . . . . 0.0 110.582 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.808 HG22 ' HB2' ' A' ' 22' ' ' TYR . 2.3 tt -153.02 119.07 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.18 -0.95 . . . . 0.0 110.063 179.532 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 7' ' ' ARG . . . . . 0.536 ' HB2' ' CD2' ' B' ' 20' ' ' PHE . 2.6 mmm180 -100.69 102.5 13.62 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.415 -0.803 . . . . 0.0 110.866 -179.404 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' TYR . . . . . 0.651 ' CE2' HG21 ' B' ' 19' ' ' THR . 0.2 OUTLIER -102.95 100.47 10.43 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.449 -0.782 . . . . 0.0 109.181 179.246 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 9' ' ' PHE . . . . . 0.525 ' CB ' ' HA ' ' A' ' 18' ' ' GLN . 11.2 p90 -142.25 159.3 42.51 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.684 -1.26 . . . . 0.0 111.881 -178.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 10' ' ' TYR . . . . . 0.84 ' O ' HD12 ' A' ' 16' ' ' LEU . 8.6 t80 -124.11 -176.0 3.38 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 11' ' ' ASN . . . . . 0.458 ' HB3' ' O ' ' B' ' 10' ' ' TYR . 0.9 OUTLIER . . . . . 0 N--CA 1.493 1.694 0 O-C-N 120.991 -1.068 . . . . 0.0 110.726 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.421 ' HA ' ' OE1' ' B' ' 18' ' ' GLN . 1.2 tp-100 . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.516 0.674 . . . . 0.0 110.437 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.651 HG21 ' CE2' ' B' ' 8' ' ' TYR . 16.2 m -138.43 114.68 10.28 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.441 -0.787 . . . . 0.0 109.795 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.536 ' CD2' ' HB2' ' B' ' 7' ' ' ARG . 5.8 m-85 -89.79 134.3 34.26 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.241 -0.912 . . . . 0.0 110.5 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.599 ' O ' HG13 ' B' ' 21' ' ' VAL . 7.3 p . . . . . 0 N--CA 1.492 1.634 0 O-C-N 121.318 -0.864 . . . . 0.0 110.107 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.591 HG22 ' HE1' ' A' ' 22' ' ' TYR . 20.4 tt . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 121.193 0.52 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.893 ' HA ' HG22 ' A' ' 21' ' ' VAL . 77.9 mt -136.42 72.84 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.28 -0.888 . . . . 0.0 110.364 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.602 ' HG2' ' CE2' ' A' ' 9' ' ' PHE . 38.5 ttt-85 -59.22 81.52 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.154 -0.966 . . . . 0.0 109.954 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.577 ' O ' ' CD1' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -116.97 148.71 41.18 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.189 -0.944 . . . . 0.0 109.942 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.602 ' CE2' ' HG2' ' A' ' 7' ' ' ARG . 43.1 m-85 -143.28 53.81 1.35 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.16 -0.962 . . . . 0.0 110.926 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.578 ' CZ ' ' OD1' ' A' ' 11' ' ' ASN . 24.1 t80 58.97 175.43 0.07 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.234 -0.916 . . . . 0.0 111.003 179.141 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.599 ' O ' ' N ' ' A' ' 15' ' ' GLY . 20.1 p-10 -90.89 -33.55 15.59 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.586 -0.697 . . . . 0.0 112.062 -178.095 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.542 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . . . -29.2 -51.02 0.1 Allowed 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.753 -0.592 . . . . 0.0 111.955 -178.695 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.432 ' HE2' ' NE2' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -44.06 -85.2 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.029 -1.044 . . . . 0.0 110.17 -179.831 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.617 ' O ' HD23 ' A' ' 16' ' ' LEU . 1.8 m-20 -85.28 7.12 23.37 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.381 -0.825 . . . . 0.0 109.509 179.44 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.599 ' N ' ' O ' ' A' ' 11' ' ' ASN . . . 88.46 -18.85 39.52 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.899 -1.28 . . . . 0.0 109.899 -179.493 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.912 HD12 ' CD1' ' B' ' 9' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.498 1.948 0 O-C-N 121.071 -1.252 . . . . 0.0 110.261 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.512 ' O ' ' HA ' ' A' ' 8' ' ' TYR . 1.9 mt-30 . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.079 0.466 . . . . 0.0 110.032 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.481 ' OG1' ' HB2' ' A' ' 8' ' ' TYR . 17.4 m -152.7 91.17 1.53 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.3 -0.875 . . . . 0.0 110.359 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.575 ' CD1' ' HD3' ' B' ' 7' ' ' ARG . 5.4 t80 -89.67 126.39 35.62 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.278 -0.889 . . . . 0.0 110.086 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.893 HG22 ' HA ' ' A' ' 6' ' ' ILE . 75.6 t -139.15 159.22 29.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.216 -0.927 . . . . 0.0 110.512 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.609 ' CG ' ' O ' ' A' ' 22' ' ' TYR . 3.3 p90 -155.44 110.34 2.97 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.247 -0.908 . . . . 0.0 109.956 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.479 ' O ' ' HB2' ' B' ' 4' ' ' ARG . . . . . . . . 0 N--CA 1.49 2.263 0 N-CA-C 109.667 -1.373 . . . . 0.0 109.667 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' ARG . . . . . 0.482 ' CD ' ' N ' ' B' ' 4' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.786 0 CA-C-O 121.331 0.586 . . . . 0.0 110.058 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.464 ' O ' HG23 ' B' ' 5' ' ' ILE . 3.6 tt -112.77 116.69 53.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.315 -0.866 . . . . 0.0 110.057 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.455 ' O ' ' O ' ' A' ' 21' ' ' VAL . 84.4 mt -116.75 125.4 73.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.157 -0.965 . . . . 0.0 110.476 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 7' ' ' ARG . . . . . 0.575 ' HD3' ' CD1' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -88.04 105.14 17.28 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.25 -0.906 . . . . 0.0 110.071 179.758 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 8' ' ' TYR . . . . . 0.459 ' O ' ' O ' ' A' ' 19' ' ' THR . 1.7 m-85 -80.31 120.23 24.09 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.204 -0.935 . . . . 0.0 110.345 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 9' ' ' PHE . . . . . 0.912 ' CD1' HD12 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -118.95 37.21 4.18 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.262 -0.899 . . . . 0.0 109.973 179.888 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 10' ' ' TYR . . . . . 0.566 ' CG ' ' O ' ' B' ' 10' ' ' TYR . 0.9 OUTLIER -51.54 122.29 7.79 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.406 -0.809 . . . . 0.0 110.368 -179.685 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 11' ' ' ASN . . . . . 0.478 ' HB2' ' HB2' ' A' ' 16' ' ' LEU . 28.2 t30 . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.273 -0.892 . . . . 0.0 110.233 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.536 ' CB ' ' HB3' ' B' ' 9' ' ' PHE . 4.8 mt-30 . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.315 0.579 . . . . 0.0 109.975 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.497 ' HA ' ' O ' ' B' ' 7' ' ' ARG . 8.4 t -89.77 161.78 15.86 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.238 -0.914 . . . . 0.0 110.291 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.473 ' N ' ' CD1' ' B' ' 20' ' ' PHE . 14.3 m-85 -102.89 178.42 4.57 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.262 -0.899 . . . . 0.0 110.281 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.675 ' O ' HG23 ' B' ' 21' ' ' VAL . 35.6 m . . . . . 0 N--CA 1.492 1.653 0 O-C-N 121.22 -0.925 . . . . 0.0 110.243 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.669 HG23 ' N ' ' A' ' 6' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.657 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.838 ' HA ' HG22 ' A' ' 21' ' ' VAL . 15.1 mt -155.5 116.07 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.106 -0.996 . . . . 0.0 110.659 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.2 128.39 55.05 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.408 -0.808 . . . . 0.0 109.597 179.439 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.813 ' HB3' HG23 ' A' ' 19' ' ' THR . 8.6 p90 -152.2 177.35 10.62 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.097 -1.002 . . . . 0.0 111.021 -179.546 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.402 ' CD1' ' C ' ' A' ' 8' ' ' TYR . 1.1 m-85 -134.16 -160.28 1.04 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.577 -0.702 . . . . 0.0 109.195 179.732 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -150.96 123.24 8.33 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.175 -0.953 . . . . 0.0 110.271 179.473 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.485 ' HB2' ' O ' ' A' ' 16' ' ' LEU . 1.7 m-20 -125.13 77.93 1.67 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.275 -0.891 . . . . 0.0 109.951 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.566 ' O ' ' N ' ' A' ' 14' ' ' ASP . . . -60.53 -135.84 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.299 -0.875 . . . . 0.0 109.913 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 22.4 mttp 66.32 -60.14 0.32 Allowed 'General case' 0 N--CA 1.495 1.806 0 CA-C-O 122.013 0.911 . . . . 0.0 109.062 -179.587 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.566 ' N ' ' O ' ' A' ' 12' ' ' ALA . 30.0 m-20 -113.47 3.13 15.65 Favored 'General case' 0 C--N 1.293 -1.848 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 178.332 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.42 72.12 0.86 Allowed Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.774 -1.331 . . . . 0.0 109.774 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.53 HD12 ' OD1' ' B' ' 11' ' ' ASN . 5.2 tt . . . . . 0 N--CA 1.491 1.593 0 O-C-N 121.183 -1.187 . . . . 0.0 110.19 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.453 ' O ' ' HB2' ' A' ' 8' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 121.342 0.591 . . . . 0.0 110.208 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.813 HG23 ' HB3' ' A' ' 8' ' ' TYR . 50.6 m -148.89 83.41 1.45 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.241 -0.912 . . . . 0.0 110.012 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -89.35 134.52 34.04 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.275 -0.891 . . . . 0.0 110.08 -179.614 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.838 HG22 ' HA ' ' A' ' 6' ' ' ILE . 99.5 t -130.76 172.02 16.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.417 -0.802 . . . . 0.0 110.024 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.574 ' N ' HG12 ' A' ' 21' ' ' VAL . 10.3 t80 -166.58 135.56 2.95 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.329 -0.857 . . . . 0.0 110.059 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.324 0 N-CA-C 109.615 -1.394 . . . . 0.0 109.615 -179.771 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 . . . . . 0 N--CA 1.492 1.625 0 CA-C-O 121.388 0.613 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.926 ' O ' HG11 ' B' ' 21' ' ' VAL . 3.1 mt -113.38 170.54 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.32 -0.863 . . . . 0.0 109.948 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.545 ' N ' HG22 ' B' ' 5' ' ' ILE . 7.0 mm -139.29 127.74 27.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.223 -0.923 . . . . 0.0 110.31 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 7' ' ' ARG . . . . . 0.496 ' CB ' ' O ' ' B' ' 20' ' ' PHE . 0.0 OUTLIER -113.55 91.21 3.56 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.281 -0.887 . . . . 0.0 109.847 179.626 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 8' ' ' TYR . . . . . 0.634 ' CE1' ' CG2' ' B' ' 19' ' ' THR . 0.5 OUTLIER -98.69 139.13 34.86 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.382 -0.824 . . . . 0.0 110.288 -179.695 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 9' ' ' PHE . . . . . 0.641 ' HB3' ' NE2' ' B' ' 18' ' ' GLN . 46.2 t80 -150.49 98.06 2.6 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.158 -0.964 . . . . 0.0 110.164 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 10' ' ' TYR . . . . . 0.451 ' O ' ' HB2' ' B' ' 11' ' ' ASN . 16.9 t80 -66.35 135.25 54.09 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.22 -0.925 . . . . 0.0 110.31 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 11' ' ' ASN . . . . . 0.53 ' OD1' HD12 ' A' ' 16' ' ' LEU . 33.0 t30 . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.507 -0.746 . . . . 0.0 109.497 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.641 ' NE2' ' HB3' ' B' ' 9' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.073 0.463 . . . . 0.0 109.782 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.634 ' CG2' ' CE1' ' B' ' 8' ' ' TYR . 20.5 m -160.6 97.43 1.2 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.961 -1.087 . . . . 0.0 110.858 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.582 ' CD1' ' O ' ' B' ' 20' ' ' PHE . 28.3 p90 -150.19 134.12 16.9 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.298 -0.876 . . . . 0.0 109.882 179.274 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.926 HG11 ' O ' ' B' ' 5' ' ' ILE . 11.0 p . . . . . 0 N--CA 1.492 1.662 0 O-C-N 121.264 -0.898 . . . . 0.0 110.491 -179.539 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 21.6 mm . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 121.296 0.57 . . . . 0.0 110.341 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.919 HD11 ' CE1' ' A' ' 8' ' ' TYR . 1.5 tt -98.5 131.88 44.74 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.203 -0.936 . . . . 0.0 110.136 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.443 ' O ' ' HA ' ' A' ' 19' ' ' THR . 0.6 OUTLIER -110.86 102.81 11.29 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.173 -0.954 . . . . 0.0 110.151 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.919 ' CE1' HD11 ' A' ' 6' ' ' ILE . 4.8 m-85 -114.16 132.93 55.91 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.296 -0.878 . . . . 0.0 110.189 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.414 ' O ' ' N ' ' A' ' 11' ' ' ASN . 48.0 m-85 -146.99 68.74 1.16 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.234 -0.916 . . . . 0.0 110.207 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -62.56 82.86 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.244 -0.91 . . . . 0.0 110.216 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.473 ' O ' ' N ' ' A' ' 15' ' ' GLY . 1.0 OUTLIER -85.91 81.71 8.43 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.241 -0.912 . . . . 0.0 110.172 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.99 -38.28 72.83 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.285 -0.884 . . . . 0.0 110.221 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.414 ' HG2' ' N ' ' A' ' 14' ' ' ASP . 33.6 ttmt -49.17 -81.09 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.166 -0.959 . . . . 0.0 109.415 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.414 ' N ' ' HG2' ' A' ' 13' ' ' LYS . 30.6 t0 -73.59 -2.88 24.74 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.225 -0.922 . . . . 0.0 109.445 178.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 11' ' ' ASN . . . 61.55 73.45 0.5 Allowed Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 1.005 HD11 ' ND2' ' B' ' 11' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.266 -1.138 . . . . 0.0 110.207 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.589 ' CG ' HD23 ' A' ' 16' ' ' LEU . 1.7 mt-30 . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.154 0.502 . . . . 0.0 110.259 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.754 HG21 ' CE2' ' B' ' 8' ' ' TYR . 2.6 m -140.29 81.06 1.79 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.268 -0.895 . . . . 0.0 110.284 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.598 ' CE1' ' HB3' ' B' ' 9' ' ' PHE . 60.6 m-85 -102.76 120.05 39.91 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.285 -0.884 . . . . 0.0 110.11 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.535 ' O ' ' CG2' ' B' ' 6' ' ' ILE . 5.5 t -146.52 100.07 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.132 -0.98 . . . . 0.0 109.971 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.638 ' CD1' ' HA ' ' B' ' 5' ' ' ILE . 15.6 p90 -179.17 137.36 0.14 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.274 -0.891 . . . . 0.0 110.108 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 22' ' ' TYR . . . . . . . . 0 N--CA 1.49 2.295 0 N-CA-C 109.759 -1.336 . . . . 0.0 109.759 -179.353 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 4' ' ' ARG . . . . . 0.454 ' O ' ' HB2' ' A' ' 22' ' ' TYR . 30.0 mmt-85 . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.26 0.553 . . . . 0.0 110.345 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.762 HD12 ' O ' ' B' ' 5' ' ' ILE . 0.9 OUTLIER -126.26 46.76 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.331 -0.856 . . . . 0.0 110.105 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.535 ' CG2' ' O ' ' A' ' 21' ' ' VAL . 6.5 tp -89.53 131.24 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.052 -1.03 . . . . 0.0 111.136 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 7' ' ' ARG . . . . . 0.606 ' O ' ' CD1' ' B' ' 20' ' ' PHE . 8.8 ptt-85 -160.94 120.36 2.63 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.515 -0.741 . . . . 0.0 110.105 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 8' ' ' TYR . . . . . 0.821 ' HB3' HG23 ' B' ' 19' ' ' THR . 1.2 p90 -132.18 148.67 52.48 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.952 -1.093 . . . . 0.0 110.374 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 9' ' ' PHE . . . . . 0.598 ' HB3' ' CE1' ' A' ' 20' ' ' PHE . 13.5 p90 -150.17 129.27 12.69 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.292 -0.88 . . . . 0.0 110.449 -179.538 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 10' ' ' TYR . . . . . 0.428 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 5.4 t80 -89.42 158.32 17.79 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.381 -0.825 . . . . 0.0 110.177 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 11' ' ' ASN . . . . . 1.005 ' ND2' HD11 ' A' ' 16' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.624 0 O-C-N 121.281 -0.887 . . . . 0.0 110.126 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.54 0.686 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.821 HG23 ' HB3' ' B' ' 8' ' ' TYR . 1.8 m -130.14 143.55 50.85 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.503 -0.748 . . . . 0.0 109.735 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.606 ' CD1' ' O ' ' B' ' 7' ' ' ARG . 5.5 m-85 -89.66 156.72 18.38 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.175 -0.953 . . . . 0.0 109.858 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.62 ' O ' HG23 ' B' ' 21' ' ' VAL . 30.3 m . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.197 -0.939 . . . . 0.0 110.274 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.651 ' O ' HG22 ' A' ' 6' ' ' ILE . 5.8 mt . . . . . 0 N--CA 1.493 1.689 0 CA-C-O 121.008 0.432 . . . . 0.0 110.234 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.815 ' H ' HG23 ' A' ' 21' ' ' VAL . 2.6 tt 39.66 45.41 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.533 -0.729 . . . . 0.0 110.684 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.526 ' CB ' ' O ' ' A' ' 20' ' ' PHE . 1.2 mtp180 -74.26 77.2 1.82 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.325 -0.859 . . . . 0.0 109.947 179.447 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.557 ' O ' ' CD1' ' A' ' 9' ' ' PHE . 32.4 p90 -107.46 166.87 10.34 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.231 -0.918 . . . . 0.0 110.367 -179.726 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.557 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 43.8 m-85 -149.95 -166.7 2.62 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.324 -0.86 . . . . 0.0 110.051 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -131.81 127.3 36.35 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.27 -0.894 . . . . 0.0 110.231 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 15' ' ' GLY . 1.2 m120 -123.23 91.77 3.55 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.255 -0.903 . . . . 0.0 110.187 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.15 -35.5 75.46 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.266 -0.896 . . . . 0.0 110.215 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.8 -69.49 0.11 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.274 -0.891 . . . . 0.0 109.337 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -79.34 -4.44 50.9 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.462 -0.774 . . . . 0.0 109.334 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 11' ' ' ASN . . . 56.67 59.51 10.66 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.667 -1.373 . . . . 0.0 109.667 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.792 HD13 ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.618 0 O-C-N 121.28 -1.129 . . . . 0.0 110.273 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.603 ' HG3' ' CZ ' ' B' ' 9' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.75 0 CA-C-O 121.358 0.599 . . . . 0.0 110.993 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.476 ' HB ' ' HB2' ' B' ' 8' ' ' TYR . 25.0 m -123.68 64.97 1.03 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.513 -0.742 . . . . 0.0 109.688 179.441 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.644 ' CE1' ' CB ' ' A' ' 22' ' ' TYR . 0.9 OUTLIER -89.7 116.67 27.99 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.403 -0.81 . . . . 0.0 110.243 -179.527 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.815 HG23 ' H ' ' A' ' 6' ' ' ILE . 7.3 p -102.08 99.92 9.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.094 -1.004 . . . . 0.0 109.809 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.644 ' CB ' ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -147.76 112.23 5.29 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.301 -0.874 . . . . 0.0 109.801 -179.389 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.855 ' H ' HD12 ' B' ' 5' ' ' ILE . . . . . . . . 0 N--CA 1.492 2.395 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 4' ' ' ARG . . . . . 0.632 ' O ' ' CB ' ' B' ' 5' ' ' ILE . 4.6 mpt_? . . . . . 0 N--CA 1.489 1.493 0 CA-C-O 120.348 0.118 . . . . 0.0 110.763 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.855 HD12 ' H ' ' A' ' 23' ' ' GLY . 54.0 mt 109.54 167.41 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.514 2.764 0 C-N-CA 124.256 1.023 . . . . 0.0 109.578 -179.583 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.648 HG21 ' CE1' ' B' ' 8' ' ' TYR . 4.6 mt -58.94 160.72 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 CA-C-O 122.113 0.959 . . . . 0.0 112.32 -178.429 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 7' ' ' ARG . . . . . 0.597 ' HD3' ' CZ ' ' A' ' 20' ' ' PHE . 24.5 ttp85 -139.53 113.11 8.45 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.531 -0.73 . . . . 0.0 109.715 179.13 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 8' ' ' TYR . . . . . 0.648 ' CE1' HG21 ' B' ' 6' ' ' ILE . 36.9 m-85 -98.72 146.4 25.93 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.443 -0.786 . . . . 0.0 109.96 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 9' ' ' PHE . . . . . 0.603 ' CZ ' ' HG3' ' A' ' 18' ' ' GLN . 0.4 OUTLIER -140.52 53.79 1.61 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.188 -0.945 . . . . 0.0 110.502 -179.784 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 10' ' ' TYR . . . . . 0.585 ' O ' ' HB2' ' B' ' 11' ' ' ASN . 31.9 t80 -53.75 -171.98 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.176 -0.953 . . . . 0.0 108.718 179.084 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 11' ' ' ASN . . . . . 0.591 ' HA ' HD23 ' A' ' 16' ' ' LEU . 19.0 t-20 . . . . . 0 N--CA 1.5 2.048 0 O-C-N 121.429 -0.795 . . . . 0.0 109.642 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.447 ' HB2' ' HB3' ' B' ' 9' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.313 0.578 . . . . 0.0 110.28 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.51 ' HA ' ' O ' ' B' ' 7' ' ' ARG . 29.6 m -136.05 136.71 40.45 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.25 -0.906 . . . . 0.0 110.037 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.558 ' CE1' ' NH2' ' B' ' 7' ' ' ARG . 7.8 m-85 -113.71 -165.38 1.0 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.111 -0.993 . . . . 0.0 110.432 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.491 1.587 0 O-C-N 121.31 -0.869 . . . . 0.0 109.87 179.829 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.418 ' HA ' HD13 ' A' ' 5' ' ' ILE . 31.8 mm . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.27 0.557 . . . . 0.0 109.949 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.527 ' HA ' HG22 ' A' ' 21' ' ' VAL . 41.4 mm -87.63 96.69 5.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.31 -0.869 . . . . 0.0 110.462 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -110.58 124.79 52.53 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.266 -0.896 . . . . 0.0 109.924 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.498 ' O ' ' CD1' ' A' ' 9' ' ' PHE . 29.2 p90 -136.92 173.21 11.94 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.112 -0.993 . . . . 0.0 110.575 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.498 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 19.1 m-85 -137.75 95.46 3.05 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.422 -0.799 . . . . 0.0 109.917 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.428 ' C ' ' O ' ' A' ' 9' ' ' PHE . 0.5 OUTLIER -41.81 116.66 0.82 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.303 -0.873 . . . . 0.0 110.49 -179.803 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.47 ' O ' ' O ' ' A' ' 12' ' ' ALA . 0.7 OUTLIER -114.21 83.61 1.9 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.313 -0.867 . . . . 0.0 109.992 179.777 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.525 ' O ' ' N ' ' A' ' 14' ' ' ASP . . . -60.31 -136.56 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.279 -0.888 . . . . 0.0 110.168 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.471 ' CB ' ' O ' ' A' ' 12' ' ' ALA . 12.6 tttt 67.87 -59.74 0.42 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.252 -0.905 . . . . 0.0 108.858 -179.362 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.525 ' N ' ' O ' ' A' ' 12' ' ' ALA . 24.0 p30 -121.74 9.11 10.06 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 108.369 -0.975 . . . . 0.0 108.369 178.325 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.71 52.5 52.63 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.656 HD21 ' HZ ' ' B' ' 9' ' ' PHE . 2.0 tp . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.192 -1.181 . . . . 0.0 110.031 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.479 ' HG2' ' CE1' ' B' ' 9' ' ' PHE . 2.5 mt-30 . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.206 0.527 . . . . 0.0 110.001 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.469 ' HB ' ' O ' ' B' ' 8' ' ' TYR . 69.1 m -127.5 101.9 6.63 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.144 -0.973 . . . . 0.0 110.488 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -94.71 130.37 41.24 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.282 -0.886 . . . . 0.0 109.949 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.565 HG21 ' CD2' ' B' ' 8' ' ' TYR . 25.4 t -119.99 167.84 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.208 -0.933 . . . . 0.0 110.446 -179.755 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.593 ' CE1' HG12 ' B' ' 5' ' ' ILE . 81.8 t80 -151.76 78.31 1.25 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.351 -0.843 . . . . 0.0 109.922 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.464 ' O ' ' O ' ' B' ' 4' ' ' ARG . . . . . . . . 0 N--CA 1.49 2.286 0 N-CA-C 109.861 -1.296 . . . . 0.0 109.861 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 4' ' ' ARG . . . . . 0.464 ' O ' ' O ' ' A' ' 23' ' ' GLY . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.342 0.591 . . . . 0.0 110.194 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.593 HG12 ' CE1' ' A' ' 22' ' ' TYR . 19.8 mt -109.05 120.34 60.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.245 -0.909 . . . . 0.0 110.505 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.67 HD12 ' OH ' ' B' ' 8' ' ' TYR . 10.8 pt -118.54 160.89 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.307 -0.87 . . . . 0.0 109.611 179.459 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 7' ' ' ARG . . . . . 0.559 ' HD2' ' CE1' ' B' ' 20' ' ' PHE . 0.1 OUTLIER -145.95 145.57 30.71 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.075 -1.015 . . . . 0.0 110.742 -179.581 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 8' ' ' TYR . . . . . 0.847 ' CD1' HG23 ' B' ' 19' ' ' THR . 18.6 m-85 -123.28 61.46 1.04 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.472 -0.768 . . . . 0.0 109.603 179.508 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 9' ' ' PHE . . . . . 0.656 ' HZ ' HD21 ' A' ' 16' ' ' LEU . 3.1 t80 -89.65 101.26 13.95 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.353 -0.842 . . . . 0.0 110.557 -179.595 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -114.99 -156.9 0.62 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.329 -0.857 . . . . 0.0 109.561 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 12.5 p30 . . . . . 0 N--CA 1.492 1.633 0 O-C-N 121.053 -1.029 . . . . 0.0 110.059 179.966 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.519 ' N ' ' O ' ' B' ' 9' ' ' PHE . 0.9 OUTLIER . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.19 0.519 . . . . 0.0 110.478 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.847 HG23 ' CD1' ' B' ' 8' ' ' TYR . 82.3 m -114.52 100.81 8.57 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.182 -0.949 . . . . 0.0 110.338 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.596 ' N ' ' CD1' ' B' ' 20' ' ' PHE . 11.4 p90 -150.26 -163.64 1.83 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.315 -0.866 . . . . 0.0 110.278 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.525 HG23 HG22 ' B' ' 6' ' ' ILE . 7.5 p . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.262 -0.899 . . . . 0.0 110.099 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.585 HG23 ' O ' ' A' ' 5' ' ' ILE . 2.5 tt . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.202 0.525 . . . . 0.0 110.117 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.623 ' H ' HD12 ' A' ' 6' ' ' ILE . 1.5 mp -93.38 46.32 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.158 -0.964 . . . . 0.0 110.159 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.585 ' CZ ' ' CE2' ' A' ' 20' ' ' PHE . 52.1 mtm180 -43.27 104.54 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.229 -0.92 . . . . 0.0 109.901 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.599 ' CE2' HG23 ' A' ' 19' ' ' THR . 0.2 OUTLIER -120.03 65.34 0.82 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.153 -0.967 . . . . 0.0 110.584 -179.772 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.475 ' O ' ' O ' ' A' ' 10' ' ' TYR . 12.5 m-85 -89.77 108.42 19.68 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.182 -0.949 . . . . 0.0 109.415 179.46 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.558 ' HD2' ' HB2' ' A' ' 12' ' ' ALA . 20.9 t80 -42.98 168.2 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.269 -0.894 . . . . 0.0 110.628 -179.147 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.576 ' O ' ' N ' ' A' ' 15' ' ' GLY . 25.5 p30 -97.99 14.05 28.71 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.301 -0.874 . . . . 0.0 111.526 -179.333 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.718 ' O ' ' N ' ' A' ' 14' ' ' ASP . . . -49.43 146.26 4.1 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 120.855 -1.153 . . . . 0.0 110.718 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 47.98 -64.72 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.128 0 CA-C-O 121.921 0.867 . . . . 0.0 111.756 178.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.718 ' N ' ' O ' ' A' ' 12' ' ' ALA . 10.1 m-20 -66.92 -8.28 28.22 Favored 'General case' 0 C--N 1.285 -2.207 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.52 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.576 ' N ' ' O ' ' A' ' 11' ' ' ASN . . . 52.25 32.24 36.15 Favored Glycine 0 N--CA 1.495 2.613 0 C-N-CA 119.155 -1.497 . . . . 0.0 109.499 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.951 ' O ' HD23 ' A' ' 16' ' ' LEU . 1.4 tt . . . . . 0 N--CA 1.501 2.102 0 O-C-N 121.081 -1.246 . . . . 0.0 111.084 -179.151 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.509 ' O ' ' HA ' ' A' ' 8' ' ' TYR . 30.3 mt-30 . . . . . 0 N--CA 1.489 1.476 0 CA-C-O 121.444 0.64 . . . . 0.0 110.571 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.599 HG23 ' CE2' ' A' ' 8' ' ' TYR . 15.9 m -132.57 86.17 2.3 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.567 -0.708 . . . . 0.0 109.328 179.496 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.623 ' CD2' ' NE ' ' B' ' 7' ' ' ARG . 9.0 m-85 -89.4 156.16 18.86 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.316 -0.865 . . . . 0.0 110.292 -179.258 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.542 ' HB ' ' CG1' ' B' ' 6' ' ' ILE . 17.5 t -149.98 26.09 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.342 -0.849 . . . . 0.0 109.972 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.477 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 1.7 t80 -70.46 99.7 1.65 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.345 -0.847 . . . . 0.0 110.149 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.216 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 179.916 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.659 0 CA-C-O 121.106 0.479 . . . . 0.0 110.766 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.732 HD13 ' C ' ' B' ' 5' ' ' ILE . 0.0 OUTLIER -171.34 131.3 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.152 -0.967 . . . . 0.0 110.089 179.561 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.775 HD12 ' HE1' ' B' ' 8' ' ' TYR . 40.5 pt -156.18 -175.08 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.372 -0.83 . . . . 0.0 109.931 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 7' ' ' ARG . . . . . 0.635 ' O ' HG23 ' B' ' 19' ' ' THR . 22.8 ttm180 -166.37 161.61 16.6 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.17 -0.956 . . . . 0.0 110.242 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 8' ' ' TYR . . . . . 0.775 ' HE1' HD12 ' B' ' 6' ' ' ILE . 65.2 m-85 -151.53 38.69 0.63 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.23 -0.918 . . . . 0.0 110.017 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 9' ' ' PHE . . . . . 0.584 ' CG ' ' O ' ' B' ' 9' ' ' PHE . 1.1 p90 -94.57 119.64 33.56 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.238 -0.914 . . . . 0.0 109.966 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -116.25 16.66 15.82 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.125 -0.984 . . . . 0.0 110.366 -179.632 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 11' ' ' ASN . . . . . 0.889 ' CB ' HD12 ' A' ' 16' ' ' LEU . 3.5 t-20 . . . . . 0 N--CA 1.49 1.556 0 O-C-N 121.172 -0.955 . . . . 0.0 110.144 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.518 ' N ' ' O ' ' B' ' 9' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 121.404 0.621 . . . . 0.0 110.321 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.635 HG23 ' O ' ' B' ' 7' ' ' ARG . 21.5 m -128.82 151.88 49.1 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.447 -0.783 . . . . 0.0 109.902 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.579 ' CD1' ' HB3' ' B' ' 7' ' ' ARG . 7.0 m-85 -112.1 126.53 55.28 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.112 -0.993 . . . . 0.0 110.415 -179.751 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.441 HG12 ' O ' ' B' ' 21' ' ' VAL . 76.6 t . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.279 -0.888 . . . . 0.0 109.878 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' A' ' 7' ' ' ARG . 12.0 pt . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 121.415 0.626 . . . . 0.0 110.546 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.908 HD12 HG22 ' A' ' 21' ' ' VAL . 0.4 OUTLIER -57.63 88.96 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.382 -0.824 . . . . 0.0 110.553 -179.715 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.62 ' HB2' ' CZ ' ' A' ' 20' ' ' PHE . 0.4 OUTLIER -49.07 151.74 1.25 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.289 -0.882 . . . . 0.0 109.689 179.534 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.542 ' CD1' ' OG1' ' A' ' 19' ' ' THR . 0.1 OUTLIER -155.58 99.55 2.03 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.439 -0.788 . . . . 0.0 110.574 -179.838 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.573 ' CE1' ' HG2' ' A' ' 7' ' ' ARG . 11.3 m-85 -123.52 91.51 3.49 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.209 -0.932 . . . . 0.0 109.844 179.524 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.529 ' OH ' ' HB2' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -99.19 151.97 20.41 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.37 -0.831 . . . . 0.0 110.174 -179.57 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.507 ' O ' ' N ' ' A' ' 15' ' ' GLY . 18.4 m120 -129.6 106.89 9.04 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.338 -0.851 . . . . 0.0 109.834 179.701 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.529 ' HB2' ' OH ' ' A' ' 10' ' ' TYR . . . -49.5 -40.0 35.95 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.219 -0.926 . . . . 0.0 110.512 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.17 -78.9 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.204 -0.935 . . . . 0.0 109.552 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.505 ' OD1' ' N ' ' A' ' 16' ' ' LEU . 3.3 p30 -71.76 -4.43 27.63 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.304 -0.872 . . . . 0.0 109.442 179.116 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 11' ' ' ASN . . . 61.64 37.69 94.63 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.506 ' O ' ' HA ' ' A' ' 10' ' ' TYR . 1.6 tt . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.231 -1.158 . . . . 0.0 110.078 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.535 ' HG3' ' NH1' ' A' ' 7' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.143 0.496 . . . . 0.0 109.775 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.59 HG23 ' O ' ' A' ' 7' ' ' ARG . 2.0 m -172.24 138.93 1.0 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.25 -0.906 . . . . 0.0 110.156 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.62 ' CZ ' ' HB2' ' A' ' 7' ' ' ARG . 3.9 p90 -149.99 142.76 24.68 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.046 -1.034 . . . . 0.0 110.492 179.362 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.908 HG22 HD12 ' A' ' 6' ' ' ILE . 12.4 t -95.09 74.63 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.306 -0.871 . . . . 0.0 110.754 -179.337 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.613 ' HB3' ' CE1' ' A' ' 20' ' ' PHE . 13.9 t80 -126.78 88.57 2.84 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.289 -0.882 . . . . 0.0 109.23 179.178 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.241 0 C-N-CA 119.215 -1.469 . . . . 0.0 110.25 -178.98 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 4' ' ' ARG . . . . . 0.546 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.089 0.471 . . . . 0.0 110.195 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.622 ' O ' HG23 ' B' ' 5' ' ' ILE . 2.4 tt -149.96 67.84 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.672 -0.642 . . . . 0.0 110.256 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.699 HD12 ' CB ' ' A' ' 21' ' ' VAL . 13.6 mt -98.73 166.81 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.011 -1.056 . . . . 0.0 110.387 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 7' ' ' ARG . . . . . 0.502 ' O ' ' HA ' ' B' ' 19' ' ' THR . 1.8 mtp85 -126.31 102.45 7.18 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.247 -0.908 . . . . 0.0 110.156 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 8' ' ' TYR . . . . . 0.525 ' N ' ' O ' ' A' ' 19' ' ' THR . 4.1 m-30 -111.38 81.01 1.37 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.333 -0.854 . . . . 0.0 110.452 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -104.53 113.99 27.92 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.046 -1.034 . . . . 0.0 110.338 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' TYR . . . . . 0.44 ' O ' ' HB3' ' B' ' 11' ' ' ASN . 14.9 t80 -118.72 158.9 24.65 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.337 -0.852 . . . . 0.0 110.086 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 11' ' ' ASN . . . . . 0.44 ' HB3' ' O ' ' B' ' 10' ' ' TYR . 10.4 p-10 . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.178 -0.951 . . . . 0.0 110.224 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.266 0.555 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.502 ' HA ' ' O ' ' B' ' 7' ' ' ARG . 63.5 m -132.67 115.6 15.59 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.362 -0.837 . . . . 0.0 110.122 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.465 ' C ' HG13 ' B' ' 21' ' ' VAL . 13.2 m-85 -118.61 178.96 4.27 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.219 -0.926 . . . . 0.0 110.226 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.732 ' O ' HG23 ' B' ' 21' ' ' VAL . 33.2 m . . . . . 0 N--CA 1.49 1.552 0 O-C-N 121.294 -0.879 . . . . 0.0 110.317 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.733 ' N ' HD13 ' A' ' 5' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.279 0.562 . . . . 0.0 110.35 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.608 ' N ' HD12 ' A' ' 6' ' ' ILE . 4.6 mp -123.83 74.1 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.3 -0.875 . . . . 0.0 110.14 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.73 102.06 13.82 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.261 -0.899 . . . . 0.0 110.351 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.565 ' O ' ' CD1' ' A' ' 9' ' ' PHE . 13.6 p90 -150.43 159.32 44.55 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.326 -0.859 . . . . 0.0 109.995 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.565 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 24.0 m-85 -146.15 93.28 2.3 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.147 -0.97 . . . . 0.0 110.535 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.428 ' C ' ' O ' ' A' ' 9' ' ' PHE . 22.7 t80 -44.35 136.41 4.09 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.176 -0.952 . . . . 0.0 109.537 179.591 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.478 ' O ' ' O ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -142.88 75.96 1.51 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.968 -1.083 . . . . 0.0 111.404 -179.388 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.833 ' O ' ' N ' ' A' ' 14' ' ' ASP . . . -62.46 -156.48 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 178.302 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp 48.58 -65.56 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.064 0 CA-C-O 121.919 0.866 . . . . 0.0 109.867 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.833 ' N ' ' O ' ' A' ' 12' ' ' ALA . 1.1 m-20 -55.03 -21.79 13.38 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 177.295 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.509 ' O ' ' HA ' ' B' ' 11' ' ' ASN . . . 96.53 -4.35 64.02 Favored Glycine 0 N--CA 1.489 2.2 0 C-N-CA 119.919 -1.134 . . . . 0.0 112.173 177.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.852 ' N ' HD13 ' A' ' 16' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.886 0 CA-C-N 119.848 1.824 . . . . 0.0 112.745 179.641 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.581 ' OE1' ' CD2' ' B' ' 9' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.499 1.987 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.472 ' HB ' ' HB2' ' B' ' 8' ' ' TYR . 54.6 m -144.52 115.84 8.02 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.088 -1.007 . . . . 0.0 111.094 -179.594 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.596 ' CD1' ' HG3' ' B' ' 7' ' ' ARG . 1.2 t80 -122.61 125.16 45.08 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 179.085 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.544 ' O ' HG22 ' A' ' 21' ' ' VAL . 0.6 OUTLIER -149.89 100.99 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 120.719 -1.238 . . . . 0.0 111.452 -178.715 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.873 ' CE2' HD12 ' B' ' 6' ' ' ILE . 0.1 OUTLIER 164.75 107.58 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.702 -0.623 . . . . 0.0 109.993 178.877 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.417 0 N-CA-C 109.655 -1.378 . . . . 0.0 109.655 -179.869 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 4' ' ' ARG . . . . . 0.565 ' HD3' ' CZ ' ' A' ' 22' ' ' TYR . 2.6 mtt180 . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.365 0.602 . . . . 0.0 110.677 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.788 HD12 ' H ' ' B' ' 5' ' ' ILE . 0.5 OUTLIER -149.59 36.83 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.361 -0.837 . . . . 0.0 110.113 179.616 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.873 HD12 ' CE2' ' A' ' 22' ' ' TYR . 91.9 mt -70.02 141.72 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 CA-C-O 121.808 0.813 . . . . 0.0 110.861 -179.511 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 7' ' ' ARG . . . . . 0.614 ' HB3' ' CZ ' ' B' ' 20' ' ' PHE . 0.0 OUTLIER -137.56 143.74 41.71 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.402 -0.811 . . . . 0.0 110.033 179.838 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 8' ' ' TYR . . . . . 0.917 ' CE1' HG23 ' B' ' 19' ' ' THR . 7.0 m-85 -118.71 114.86 23.36 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.672 -0.642 . . . . 0.0 109.579 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 9' ' ' PHE . . . . . 0.635 ' CD1' ' O ' ' B' ' 9' ' ' PHE . 21.5 t80 -152.59 97.29 2.23 Favored 'General case' 0 N--CA 1.506 2.366 0 O-C-N 120.555 -1.34 . . . . 0.0 112.869 -179.377 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 10' ' ' TYR . . . . . 0.495 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 0.7 OUTLIER -134.02 170.64 15.34 Favored 'General case' 0 N--CA 1.509 2.522 0 O-C-N 120.101 -1.624 . . . . 0.0 109.48 177.532 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 11' ' ' ASN . . . . . 0.509 ' HA ' ' O ' ' A' ' 15' ' ' GLY . 4.7 p-10 . . . . . 0 N--CA 1.492 1.648 0 O-C-N 121.273 -0.892 . . . . 0.0 110.202 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.554 ' CB ' ' O ' ' B' ' 9' ' ' PHE . 45.6 tt0 . . . . . 0 N--CA 1.506 2.333 0 CA-C-O 121.215 0.531 . . . . 0.0 112.245 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.917 HG23 ' CE1' ' B' ' 8' ' ' TYR . 55.0 m -99.61 105.9 17.81 Favored 'General case' 0 C--N 1.303 -1.419 0 C-N-CA 119.73 -0.788 . . . . 0.0 111.036 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.614 ' CZ ' ' HB3' ' B' ' 7' ' ' ARG . 8.7 p90 -122.88 143.66 49.73 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 119.596 -0.842 . . . . 0.0 109.847 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.597 HG12 HG12 ' B' ' 6' ' ' ILE . 4.7 m . . . . . 0 N--CA 1.491 1.583 0 O-C-N 121.205 -0.934 . . . . 0.0 110.523 -179.53 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.505 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 3.7 mt . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.33 0.586 . . . . 0.0 109.594 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.74 HG23 HG12 ' A' ' 21' ' ' VAL . 1.7 mt -63.12 111.74 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.326 -0.859 . . . . 0.0 110.966 -179.171 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.58 ' HB3' ' CE2' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -107.39 107.66 18.66 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.512 -0.742 . . . . 0.0 109.101 179.089 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.682 ' CG ' HG23 ' A' ' 19' ' ' THR . 0.2 OUTLIER -86.29 153.49 21.94 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.285 -0.884 . . . . 0.0 111.145 -178.938 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.58 ' CE2' ' HB3' ' A' ' 7' ' ' ARG . 64.0 m-85 -149.93 76.27 1.28 Allowed 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.501 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.643 ' CE2' ' HB2' ' A' ' 12' ' ' ALA . 10.3 t80 -40.55 165.62 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.51 -0.744 . . . . 0.0 111.14 -178.823 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.614 ' O ' ' CA ' ' A' ' 15' ' ' GLY . 31.3 p-10 -89.16 -18.48 27.06 Favored 'General case' 0 C--O 1.199 -1.57 0 O-C-N 121.513 -0.742 . . . . 0.0 111.327 -179.431 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.643 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . . . -45.37 -68.25 0.21 Allowed 'General case' 0 C--N 1.29 -2.006 0 O-C-N 120.173 -1.579 . . . . 0.0 111.041 -179.36 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -51.66 -85.68 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.428 -0.795 . . . . 0.0 111.708 -178.625 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.89 -3.37 3.35 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.47 -0.769 . . . . 0.0 111.13 -178.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.614 ' CA ' ' O ' ' A' ' 11' ' ' ASN . . . 74.48 15.31 80.46 Favored Glycine 0 N--CA 1.497 2.716 0 C-N-CA 118.307 -1.901 . . . . 0.0 109.428 -179.505 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 1.093 HD11 ' CZ ' ' B' ' 9' ' ' PHE . 5.9 tt . . . . . 0 N--CA 1.498 1.957 0 O-C-N 121.149 -1.206 . . . . 0.0 110.812 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 . . . . . 0 N--CA 1.494 1.733 0 CA-C-O 121.298 0.571 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.682 HG23 ' CG ' ' A' ' 8' ' ' TYR . 0.2 OUTLIER -116.79 83.57 1.99 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.228 -0.92 . . . . 0.0 110.264 179.794 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.607 ' CZ ' ' HB2' ' A' ' 22' ' ' TYR . 8.3 t80 -89.38 107.21 18.94 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.231 -0.918 . . . . 0.0 109.749 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.74 HG12 HG23 ' A' ' 6' ' ' ILE . 2.1 m -94.64 -45.02 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 121.188 -0.945 . . . . 0.0 110.802 -179.348 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.74 ' CD1' HG23 ' B' ' 5' ' ' ILE . 9.4 t80 64.07 154.87 0.06 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.35 -0.844 . . . . 0.0 110.544 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.277 0 N-CA-C 109.44 -1.464 . . . . 0.0 109.44 179.827 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 4' ' ' ARG . . . . . 0.448 ' NH1' ' CG2' ' B' ' 21' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.311 0.577 . . . . 0.0 110.196 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.74 HG23 ' CD1' ' A' ' 22' ' ' TYR . 33.6 mt -130.48 73.43 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.211 -0.93 . . . . 0.0 110.062 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.708 HG23 ' CE1' ' B' ' 8' ' ' TYR . 96.8 mt -63.03 113.32 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.402 -0.811 . . . . 0.0 110.198 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 7' ' ' ARG . . . . . 0.443 ' HG3' HG22 ' B' ' 5' ' ' ILE . 17.9 mtm180 -119.85 89.73 3.19 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.252 -0.905 . . . . 0.0 110.211 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 8' ' ' TYR . . . . . 0.708 ' CE1' HG23 ' B' ' 6' ' ' ILE . 21.9 m-30 -75.69 150.23 37.94 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.242 -0.911 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 9' ' ' PHE . . . . . 1.093 ' CZ ' HD11 ' A' ' 16' ' ' LEU . 65.9 t80 -150.14 46.79 0.91 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.449 -0.782 . . . . 0.0 109.585 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 10' ' ' TYR . . . . . 0.573 ' CD1' ' O ' ' B' ' 10' ' ' TYR . 0.7 OUTLIER -39.11 -33.86 0.15 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.705 -0.622 . . . . 0.0 110.607 -179.818 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 11' ' ' ASN . . . . . 0.432 ' HA ' ' HG ' ' A' ' 16' ' ' LEU . 17.1 t30 . . . . . 0 N--CA 1.492 1.645 0 O-C-N 120.941 -1.1 . . . . 0.0 109.896 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.498 ' HB3' ' HB3' ' B' ' 9' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 121.261 0.553 . . . . 0.0 110.051 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.0 m -98.28 156.33 16.77 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.156 -0.965 . . . . 0.0 110.402 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -118.78 64.96 0.77 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.312 -0.867 . . . . 0.0 110.014 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.448 ' CG2' ' NH1' ' B' ' 4' ' ' ARG . 7.4 p . . . . . 0 N--CA 1.491 1.609 0 O-C-N 121.2 -0.938 . . . . 0.0 110.375 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.737 HG23 ' O ' ' A' ' 5' ' ' ILE . 6.6 tp . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 121.28 0.562 . . . . 0.0 110.028 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 40.0 mt -67.14 112.06 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.241 -0.912 . . . . 0.0 110.274 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.497 ' CG ' HG13 ' A' ' 5' ' ' ILE . 76.0 mtm-85 -127.48 119.02 25.15 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.201 -0.937 . . . . 0.0 110.156 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.436 ' CB ' ' HA ' ' A' ' 19' ' ' THR . 35.5 p90 -121.93 162.95 20.12 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.27 -0.894 . . . . 0.0 110.213 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -127.44 -163.26 1.24 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.334 -0.854 . . . . 0.0 109.967 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -128.49 136.64 51.09 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.228 -0.92 . . . . 0.0 110.396 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.44 ' HB2' HD21 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -142.82 112.04 6.62 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.45 -0.781 . . . . 0.0 109.429 179.691 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.491 ' O ' ' C ' ' A' ' 13' ' ' LYS . . . -90.05 -6.96 54.95 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.466 -0.772 . . . . 0.0 110.948 -179.275 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.491 ' C ' ' O ' ' A' ' 12' ' ' ALA . 10.1 mttt -38.45 -52.39 1.57 Allowed 'General case' 0 N--CA 1.498 1.962 0 CA-C-O 121.812 0.815 . . . . 0.0 108.947 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.797 ' HB2' HD12 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -130.46 9.88 5.17 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 107.667 -1.235 . . . . 0.0 107.667 177.306 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.706 ' C ' HD13 ' A' ' 16' ' ' LEU . . . 66.06 76.82 0.31 Allowed Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.658 -1.377 . . . . 0.0 109.658 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.891 ' N ' HD13 ' A' ' 16' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.655 0 O-C-N 120.993 -1.298 . . . . 0.0 111.462 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.415 ' O ' ' HB2' ' A' ' 8' ' ' TYR . 50.2 tt0 . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.558 0.694 . . . . 0.0 111.21 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.51 ' O ' ' CB ' ' B' ' 8' ' ' TYR . 4.3 m -122.2 91.7 3.56 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.569 -0.707 . . . . 0.0 109.27 179.35 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.606 ' CD1' ' CD ' ' B' ' 7' ' ' ARG . 5.4 t80 -89.63 130.44 35.93 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.269 -0.894 . . . . 0.0 110.766 -179.148 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.494 ' O ' ' CE1' ' A' ' 20' ' ' PHE . 4.1 t -106.74 161.34 5.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.399 -0.813 . . . . 0.0 109.482 179.499 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.856 ' HA ' HD12 ' B' ' 5' ' ' ILE . 79.6 t80 -151.29 83.89 1.31 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.852 -1.155 . . . . 0.0 111.404 -179.259 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.672 ' H ' HD13 ' B' ' 5' ' ' ILE . . . . . . . . 0 N--CA 1.489 2.2 0 N-CA-C 108.767 -1.733 . . . . 0.0 108.767 179.22 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 4' ' ' ARG . . . . . 0.68 ' O ' HD13 ' B' ' 5' ' ' ILE . 6.7 mpt_? . . . . . 0 N--CA 1.495 1.792 0 CA-C-O 120.492 0.187 . . . . 0.0 111.281 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.856 HD12 ' HA ' ' A' ' 22' ' ' TYR . 27.1 mm -150.06 126.39 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 120.546 -1.346 . . . . 0.0 111.382 -179.52 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.506 ' O ' HG23 ' B' ' 6' ' ' ILE . 10.1 tt -125.02 130.55 73.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.672 -0.642 . . . . 0.0 110.413 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 7' ' ' ARG . . . . . 0.606 ' CD ' ' CD1' ' A' ' 20' ' ' PHE . 1.0 OUTLIER -102.36 126.23 49.31 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.459 -0.776 . . . . 0.0 110.11 179.894 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 8' ' ' TYR . . . . . 0.527 ' CZ ' HG21 ' B' ' 19' ' ' THR . 0.3 OUTLIER -108.32 139.71 42.63 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.223 -0.923 . . . . 0.0 110.159 179.881 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 9' ' ' PHE . . . . . 0.443 ' O ' ' CD2' ' B' ' 9' ' ' PHE . 38.6 t80 -149.79 59.32 0.99 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.197 -0.939 . . . . 0.0 110.477 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 10' ' ' TYR . . . . . 0.626 ' CD1' ' N ' ' B' ' 11' ' ' ASN . 1.1 p90 -60.65 -179.07 0.11 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.151 -0.968 . . . . 0.0 109.607 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 11' ' ' ASN . . . . . 0.626 ' N ' ' CD1' ' B' ' 10' ' ' TYR . 18.6 p-10 . . . . . 0 N--CA 1.493 1.68 0 O-C-N 121.064 -1.023 . . . . 0.0 110.619 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.278 0.561 . . . . 0.0 110.013 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.527 HG21 ' CZ ' ' B' ' 8' ' ' TYR . 0.1 OUTLIER -117.6 137.92 52.29 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.186 -0.946 . . . . 0.0 110.416 -179.787 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.454 ' N ' ' CD1' ' B' ' 20' ' ' PHE . 12.1 m-85 -101.14 -160.45 0.8 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.36 -0.838 . . . . 0.0 109.913 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.465 ' O ' ' O ' ' B' ' 5' ' ' ILE . 7.8 p . . . . . 0 N--CA 1.493 1.697 0 O-C-N 121.18 -0.95 . . . . 0.0 110.602 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.513 HD11 ' CZ ' ' A' ' 22' ' ' TYR . 4.2 pt . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.241 0.543 . . . . 0.0 109.977 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.565 HG23 HG11 ' A' ' 21' ' ' VAL . 2.5 mp -146.63 96.79 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.132 -0.98 . . . . 0.0 110.419 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.6 mmt-85 -94.41 120.35 34.53 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.216 -0.927 . . . . 0.0 109.854 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.511 ' CB ' ' HA ' ' A' ' 19' ' ' THR . 26.4 p90 -156.58 176.92 12.08 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.204 -0.935 . . . . 0.0 110.606 -179.657 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -134.98 176.17 8.91 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.459 -0.776 . . . . 0.0 109.687 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -127.78 138.35 52.71 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.13 -0.981 . . . . 0.0 110.478 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -142.85 63.02 1.39 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.348 -0.845 . . . . 0.0 110.14 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.12 -25.44 5.17 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.27 -0.894 . . . . 0.0 110.256 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -53.75 -74.68 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.262 -0.899 . . . . 0.0 109.387 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.43 -5.24 31.32 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.257 -0.902 . . . . 0.0 109.34 179.013 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.584 ' O ' HD12 ' A' ' 16' ' ' LEU . . . 74.07 46.41 22.2 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.584 HD12 ' O ' ' A' ' 15' ' ' GLY . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.617 0 O-C-N 121.263 -1.14 . . . . 0.0 110.301 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.311 0.577 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.511 ' HA ' ' CB ' ' A' ' 8' ' ' TYR . 5.2 m -137.88 95.27 3.01 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.296 -0.878 . . . . 0.0 110.113 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -103.14 107.78 18.72 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.182 -0.949 . . . . 0.0 109.949 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.565 HG11 HG23 ' A' ' 6' ' ' ILE . 3.8 m -121.33 151.31 24.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.246 -0.909 . . . . 0.0 110.354 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.567 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 27.8 p90 -140.41 125.71 18.77 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.306 -0.871 . . . . 0.0 110.092 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 N-CA-C 109.635 -1.386 . . . . 0.0 109.635 -179.859 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 4' ' ' ARG . . . . . 0.627 ' NH2' HD11 ' B' ' 6' ' ' ILE . 1.2 mtp180 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.228 0.537 . . . . 0.0 110.143 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.425 ' O ' ' HA ' ' B' ' 21' ' ' VAL . 29.6 mt -131.62 134.18 60.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.264 -0.898 . . . . 0.0 110.254 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.627 HD11 ' NH2' ' B' ' 4' ' ' ARG . 72.4 mt -129.12 151.13 35.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.286 -0.884 . . . . 0.0 110.194 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 7' ' ' ARG . . . . . 0.513 ' HB3' ' CD2' ' B' ' 20' ' ' PHE . 2.9 ttt180 -127.46 98.52 5.27 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.282 -0.886 . . . . 0.0 110.308 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 8' ' ' TYR . . . . . 0.509 ' HB2' HG22 ' A' ' 19' ' ' THR . 12.7 m-85 -94.11 113.29 25.22 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.248 -0.908 . . . . 0.0 110.009 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 9' ' ' PHE . . . . . 0.624 ' CG ' ' O ' ' B' ' 9' ' ' PHE . 4.5 t80 -125.95 35.13 4.74 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.058 -1.026 . . . . 0.0 110.495 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 10' ' ' TYR . . . . . 0.573 ' CG ' ' O ' ' B' ' 10' ' ' TYR . 1.3 p90 -43.14 122.43 2.49 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.946 -1.096 . . . . 0.0 110.237 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 13.9 p30 . . . . . 0 N--CA 1.494 1.772 0 O-C-N 121.181 -0.949 . . . . 0.0 110.305 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.616 ' OE1' ' N ' ' B' ' 9' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.833 0 CA-C-O 121.333 0.587 . . . . 0.0 110.801 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 37.6 m -101.5 123.43 45.53 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.281 -0.887 . . . . 0.0 110.074 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.513 ' CD2' ' HB3' ' B' ' 7' ' ' ARG . 5.9 m-85 -114.29 126.99 55.65 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.238 -0.914 . . . . 0.0 110.184 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 21' ' ' VAL . . . . . 0.475 ' O ' HG13 ' B' ' 21' ' ' VAL . 7.3 p . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.19 -0.944 . . . . 0.0 110.21 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MPT . . . . . 0.458 ' O ' ' HB2' ' A' ' 2' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.52 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 0.8 OUTLIER 62.95 93.96 0.05 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.244 -0.91 . . . . 0.0 109.647 -179.715 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.06 50.69 0.62 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.341 -0.849 . . . . 0.0 110.418 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CLG . . . . . 0.623 ' CD ' HG21 ' B' ' 6' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.973 HG22 ' O ' ' A' ' 22' ' ' TYR . 0.4 OUTLIER -54.9 -165.0 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.292 -0.88 . . . . 0.0 110.047 -179.826 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.476 ' N ' HG23 ' A' ' 5' ' ' ILE . 21.7 mt -142.17 132.19 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.019 -1.051 . . . . 0.0 110.56 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.472 ' NE ' ' HA ' ' A' ' 7' ' ' ARG . 9.0 tpm_? -154.67 88.52 1.2 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.31 -0.869 . . . . 0.0 109.777 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.583 ' CD1' ' C ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -131.94 -177.54 4.49 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.393 -0.817 . . . . 0.0 111.292 -179.436 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.501 ' O ' ' O ' ' A' ' 10' ' ' TYR . 23.6 m-85 -133.0 20.42 4.11 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.119 -0.988 . . . . 0.0 110.008 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.94 ' HA ' ' HG3' ' A' ' 17' ' ' ABA . 8.4 t80 48.22 170.59 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.752 0 CA-C-O 121.867 0.841 . . . . 0.0 111.513 179.314 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.521 ' O ' ' O ' ' A' ' 12' ' ' ALA . 0.6 OUTLIER 162.35 67.24 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.521 ' O ' ' O ' ' A' ' 11' ' ' ASN . . . -44.13 -103.47 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.469 -0.769 . . . . 0.0 110.967 -179.23 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.52 ' O ' ' CB ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER 45.74 84.84 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.619 -1.301 . . . . 0.0 109.203 -179.371 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.644 ' O ' ' HB1' ' B' ' 12' ' ' ALA . 3.4 m-20 74.45 0.19 3.51 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.73 -0.606 . . . . 0.0 109.615 -178.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.15 48.63 2.39 Favored Glycine 0 N--CA 1.492 2.387 0 C-N-CA 119.828 -1.177 . . . . 0.0 110.514 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.832 HD12 ' H ' ' B' ' 12' ' ' ALA . 0.3 OUTLIER -107.52 171.25 7.49 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.055 -1.262 . . . . 0.0 109.592 179.142 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ABA . . . . . 0.94 ' HG3' ' HA ' ' A' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.482 ' O ' ' HB2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -43.8 102.65 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.135 -0.978 . . . . 0.0 109.627 179.658 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.562 HG22 ' O ' ' A' ' 19' ' ' THR . 27.6 m -105.01 80.92 1.67 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.488 -0.758 . . . . 0.0 111.394 -178.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.596 ' CD1' ' HB3' ' B' ' 7' ' ' ARG . 51.2 t80 -89.76 85.62 6.47 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 178.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.725 ' HB ' HG23 ' B' ' 6' ' ' ILE . 78.9 t -89.85 157.7 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.172 -0.955 . . . . 0.0 111.469 -178.011 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.973 ' O ' HG22 ' A' ' 5' ' ' ILE . 2.1 t80 -117.42 142.68 46.84 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.48 -0.762 . . . . 0.0 109.731 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.453 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -46.13 168.3 0.05 OUTLIER Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 121.96 138.81 5.47 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.601 -1.399 . . . . 0.0 109.601 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.52 ' HA ' ' O ' ' A' ' 2' ' ' LYS . 0.5 OUTLIER -64.64 -28.9 69.93 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.247 -1.149 . . . . 0.0 110.22 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.334 0 O-C-N 119.84 -1.787 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 9.0 tptm -83.41 47.39 1.25 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.251 -0.906 . . . . 0.0 110.084 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.486 ' O ' ' HB3' ' B' ' 4' ' ' ARG . . . -108.68 -161.25 0.76 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.238 -0.914 . . . . 0.0 110.312 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.564 ' N ' HD13 ' B' ' 5' ' ' ILE . 17.0 tpt85 63.76 64.69 0.76 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.369 -0.832 . . . . 0.0 110.368 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.792 ' N ' HD13 ' B' ' 5' ' ' ILE . 0.0 OUTLIER -121.28 116.67 50.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.287 -0.883 . . . . 0.0 110.201 179.772 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.785 ' O ' HG23 ' B' ' 6' ' ' ILE . 0.1 OUTLIER -72.71 64.79 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.339 0 CA-C-O 122.683 1.23 . . . . 0.0 109.635 179.74 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ARG . . . . . 0.876 ' NH1' HG22 ' B' ' 21' ' ' VAL . 0.0 OUTLIER -56.05 91.92 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.047 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.846 179.175 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 8' ' ' TYR . . . . . 0.652 ' CD2' HD12 ' B' ' 6' ' ' ILE . 0.1 OUTLIER -91.12 172.78 8.32 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.771 -0.581 . . . . 0.0 110.273 179.823 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 9' ' ' PHE . . . . . 0.549 ' HB3' ' CB ' ' B' ' 18' ' ' GLN . 58.8 t80 -150.22 67.89 0.98 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.273 -0.892 . . . . 0.0 110.087 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' B' ' 9' ' ' PHE . 6.7 t80 -42.56 102.6 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.288 -0.883 . . . . 0.0 110.208 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ASN . . . . . 0.459 ' HA ' ' HG ' ' A' ' 16' ' ' LEU . 38.8 t-20 -113.14 130.43 56.2 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.268 -0.895 . . . . 0.0 110.165 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ALA . . . . . 0.832 ' H ' HD12 ' A' ' 16' ' ' LEU . . . -61.59 174.51 0.76 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.287 -0.883 . . . . 0.0 110.324 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' B' ' 14' ' ' ASP . 16.8 mtmm -46.98 -25.23 0.75 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.211 -0.931 . . . . 0.0 110.044 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' B' ' 13' ' ' LYS . 0.9 OUTLIER -43.37 -29.7 0.46 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.225 -0.922 . . . . 0.0 110.216 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.42 ' O ' ' HG3' ' B' ' 16' ' ' CLH . . . -138.44 -106.1 0.71 Allowed Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' CLH . . . . . 0.686 ' O ' ' HG2' ' B' ' 17' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ABA . . . . . 0.686 ' HG2' ' O ' ' B' ' 16' ' ' CLH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.549 ' CB ' ' HB3' ' B' ' 9' ' ' PHE . 0.0 OUTLIER 169.61 155.27 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.235 -0.916 . . . . 0.0 110.113 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.727 HG22 HH11 ' B' ' 7' ' ' ARG . 0.2 OUTLIER -162.53 117.25 1.81 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.355 -0.84 . . . . 0.0 109.898 179.893 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.653 ' N ' ' HD3' ' B' ' 7' ' ' ARG . 2.2 m-85 -89.63 97.68 11.33 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.183 -0.948 . . . . 0.0 110.138 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.876 HG22 ' NH1' ' B' ' 7' ' ' ARG . 97.7 t -87.7 126.62 41.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 120.767 -1.208 . . . . 0.0 110.561 -179.283 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' TYR . . . . . 0.406 ' CD1' ' N ' ' B' ' 22' ' ' TYR . 11.6 p90 -165.42 24.4 0.05 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.472 -0.767 . . . . 0.0 110.161 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.15 142.67 45.05 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.45 -26.83 4.1 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' CYS . . . . . 0.481 ' HB2' ' HB3' ' B' ' 3' ' ' ALA . 5.8 m -108.75 -162.34 0.81 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.226 -1.161 . . . . 0.0 110.084 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 119.923 -1.735 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MPT . . . . . 0.404 ' SG ' ' HB2' ' A' ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? 44.63 68.08 0.6 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.22 -0.925 . . . . 0.0 110.173 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.451 ' O ' ' O ' ' A' ' 4' ' ' CLG . . . -110.33 -120.68 0.28 Allowed 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.249 -0.907 . . . . 0.0 109.54 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CLG . . . . . 0.695 ' HI2' HG11 ' B' ' 21' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.673 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -115.17 120.2 63.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.284 -0.885 . . . . 0.0 109.951 179.903 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.961 ' HA ' HG22 ' A' ' 21' ' ' VAL . 57.1 mt -83.48 160.22 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.307 -0.871 . . . . 0.0 110.526 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.457 ' NH1' ' CE1' ' A' ' 9' ' ' PHE . 0.0 OUTLIER 173.68 103.92 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.333 -0.854 . . . . 0.0 109.89 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.746 ' HB3' HG23 ' A' ' 19' ' ' THR . 49.7 p90 -127.33 179.23 5.57 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.171 -0.955 . . . . 0.0 110.526 -179.582 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.457 ' CE1' ' NH1' ' A' ' 7' ' ' ARG . 26.6 m-85 -128.44 111.82 13.72 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.371 -0.831 . . . . 0.0 109.955 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -69.42 139.45 54.05 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.256 -0.903 . . . . 0.0 110.446 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.48 ' HB3' ' OD1' ' A' ' 14' ' ' ASP . 55.1 m-80 -145.52 73.2 1.34 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.277 -0.889 . . . . 0.0 110.025 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.54 -35.36 63.14 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.325 -0.859 . . . . 0.0 110.367 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.95 -82.07 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.207 -0.933 . . . . 0.0 109.321 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.48 ' OD1' ' HB3' ' A' ' 11' ' ' ASN . 39.8 p-10 -75.44 -0.93 21.73 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.323 -0.861 . . . . 0.0 109.356 179.003 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 11' ' ' ASN . . . 61.39 34.89 89.93 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.947 HD12 ' HA ' ' B' ' 11' ' ' ASN . 0.8 OUTLIER -106.87 82.48 1.7 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.279 -1.13 . . . . 0.0 110.216 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.6 ' CG ' ' CD1' ' B' ' 9' ' ' PHE . 1.5 tm0? -51.1 139.36 18.2 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.246 -0.909 . . . . 0.0 110.206 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.746 HG23 ' HB3' ' A' ' 8' ' ' TYR . 49.3 m -133.43 151.47 51.8 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.263 -0.898 . . . . 0.0 110.242 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.515 ' HA ' ' HB2' ' B' ' 7' ' ' ARG . 0.4 OUTLIER -149.74 98.99 2.82 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.327 -0.858 . . . . 0.0 110.289 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.961 HG22 ' HA ' ' A' ' 6' ' ' ILE . 64.6 t -98.01 -79.31 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.266 -0.896 . . . . 0.0 110.075 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.592 ' CG ' ' HB ' ' B' ' 5' ' ' ILE . 1.0 OUTLIER 69.56 116.75 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.442 -0.786 . . . . 0.0 110.354 179.75 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.456 ' HA2' ' HA ' ' A' ' 4' ' ' CLG . . . -109.23 101.98 1.57 Allowed Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.97 71.64 0.57 Allowed Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 177.1 -69.4 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.26 -1.141 . . . . 0.0 110.233 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 119.839 -1.788 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 15.8 mtmt -124.58 45.27 2.56 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.136 -0.977 . . . . 0.0 110.381 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -104.54 112.36 25.4 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.276 -0.89 . . . . 0.0 110.086 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -98.88 102.08 13.69 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.128 -0.982 . . . . 0.0 110.407 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.592 ' HB ' ' CG ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -112.6 173.54 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.258 -0.901 . . . . 0.0 109.165 179.649 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.71 HG23 ' HB ' ' A' ' 21' ' ' VAL . 12.3 tt -170.46 140.72 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.031 -1.043 . . . . 0.0 110.647 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ARG . . . . . 0.619 ' HG2' ' CZ ' ' B' ' 20' ' ' PHE . 0.0 OUTLIER -172.23 147.71 2.04 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.335 -0.853 . . . . 0.0 110.107 179.634 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 8' ' ' TYR . . . . . 0.653 ' CD1' HG23 ' B' ' 19' ' ' THR . 0.7 OUTLIER -115.87 116.59 28.26 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.718 -0.614 . . . . 0.0 109.365 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 9' ' ' PHE . . . . . 0.6 ' CD1' ' CG ' ' A' ' 18' ' ' GLN . 5.7 t80 -150.53 100.59 2.87 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.917 -1.114 . . . . 0.0 111.089 -179.294 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' TYR . . . . . 0.647 ' CB ' ' HA ' ' B' ' 17' ' ' ABA . 10.7 t80 -114.76 -86.36 0.6 Allowed 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.028 -1.045 . . . . 0.0 109.92 178.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ASN . . . . . 0.947 ' HA ' HD12 ' A' ' 16' ' ' LEU . 9.0 t30 175.28 -34.08 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.513 -0.742 . . . . 0.0 110.021 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ALA . . . . . 0.633 ' HB3' ' HA3' ' B' ' 15' ' ' GLY . . . -90.09 129.76 36.34 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.314 -0.866 . . . . 0.0 110.21 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.481 ' HE2' ' OD1' ' B' ' 14' ' ' ASP . 0.0 OUTLIER -41.88 -78.05 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.228 -0.92 . . . . 0.0 110.489 -179.863 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.481 ' OD1' ' HE2' ' B' ' 13' ' ' LYS . 19.4 p-10 -83.76 14.45 3.93 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.981 -1.074 . . . . 0.0 110.439 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.633 ' HA3' ' HB3' ' B' ' 12' ' ' ALA . . . -87.91 19.11 35.7 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' CLH . . . . . 0.506 ' OL ' ' CZ ' ' B' ' 8' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ABA . . . . . 0.647 ' HA ' ' CB ' ' B' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.516 ' CB ' ' O ' ' B' ' 9' ' ' PHE . 22.3 tt0 -25.59 87.83 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.199 0 CA-C-O 121.344 0.593 . . . . 0.0 111.129 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.653 HG23 ' CD1' ' B' ' 8' ' ' TYR . 18.6 m -97.21 110.04 22.67 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.413 -0.804 . . . . 0.0 111.128 -178.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.619 ' CZ ' ' HG2' ' B' ' 7' ' ' ARG . 38.9 p90 -133.64 128.3 34.79 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.172 -0.955 . . . . 0.0 110.121 178.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.695 HG11 ' HI2' ' A' ' 4' ' ' CLG . 1.4 t -106.79 -148.85 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 121.376 -0.827 . . . . 0.0 110.336 -179.316 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' TYR . . . . . 0.609 ' CG ' ' O ' ' B' ' 21' ' ' VAL . 39.6 p90 40.25 -165.79 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.778 0 CA-C-O 121.273 0.559 . . . . 0.0 110.542 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.425 ' N ' ' CD1' ' B' ' 22' ' ' TYR . . . -106.76 -69.2 0.7 Allowed Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 121.92 48.61 0.27 Allowed Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 7.6 t -97.81 101.76 13.35 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.258 -1.143 . . . . 0.0 110.26 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.383 0 O-C-N 119.881 -1.762 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MPT . . . . . 0.49 ' C ' ' HG3' ' A' ' 2' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.49 ' HG3' ' C ' ' A' ' 1' ' ' MPT . 10.1 mttt -128.76 -119.39 0.24 Allowed 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.237 -0.914 . . . . 0.0 109.627 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.541 ' O ' ' C ' ' A' ' 4' ' ' CLG . . . -77.8 52.89 1.07 Allowed 'General case' 0 C--N 1.286 -2.171 0 O-C-N 121.635 -0.666 . . . . 0.0 110.021 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CLG . . . . . 0.541 ' C ' ' O ' ' A' ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.633 ' O ' HG13 ' A' ' 21' ' ' VAL . 2.8 mp -62.59 176.72 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.3 -0.875 . . . . 0.0 110.442 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.802 HD12 ' CG2' ' A' ' 21' ' ' VAL . 0.5 OUTLIER -143.75 107.35 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.285 -0.885 . . . . 0.0 110.098 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.49 140.99 52.01 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.275 -0.89 . . . . 0.0 110.244 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.443 ' O ' ' CD1' ' A' ' 9' ' ' PHE . 0.3 OUTLIER -119.92 142.3 48.84 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.3 -0.875 . . . . 0.0 110.256 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.443 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 43.4 m-85 -143.28 104.21 4.23 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.306 -0.871 . . . . 0.0 110.143 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.605 ' HA ' ' HG3' ' A' ' 17' ' ' ABA . 54.5 t80 -56.38 139.33 49.07 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.207 -0.933 . . . . 0.0 110.235 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.467 ' O ' ' O ' ' A' ' 12' ' ' ALA . 9.9 t30 -150.46 93.62 2.0 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.302 -0.874 . . . . 0.0 110.038 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.467 ' O ' ' O ' ' A' ' 11' ' ' ASN . . . -58.22 -116.93 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.327 -0.858 . . . . 0.0 110.142 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER 51.53 80.52 0.08 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.811 -1.18 . . . . 0.0 109.349 -179.678 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.458 ' CB ' ' O ' ' A' ' 13' ' ' LYS . 4.9 t70 67.78 8.03 6.13 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.333 -0.855 . . . . 0.0 109.409 -178.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 71.3 94.07 0.07 OUTLIER Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.606 -1.398 . . . . 0.0 109.606 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.527 ' O ' ' C ' ' A' ' 17' ' ' ABA . 3.1 tp -150.25 53.96 0.91 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.255 -1.144 . . . . 0.0 110.199 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ABA . . . . . 0.605 ' HG3' ' HA ' ' A' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.474 ' HG2' ' CE2' ' B' ' 9' ' ' PHE . 15.6 mt-30 -71.57 142.19 50.04 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.311 -0.868 . . . . 0.0 110.214 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.449 ' HB ' ' HB3' ' B' ' 8' ' ' TYR . 49.4 m -131.08 121.96 25.9 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.303 -0.873 . . . . 0.0 110.188 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -118.32 134.86 54.68 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.327 -0.858 . . . . 0.0 110.244 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.802 ' CG2' HD12 ' A' ' 6' ' ' ILE . 16.5 t -126.7 145.62 33.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.22 -0.925 . . . . 0.0 110.153 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.589 ' HA ' HG23 ' B' ' 5' ' ' ILE . 28.1 p90 -138.83 122.7 17.71 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.184 -0.948 . . . . 0.0 110.125 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.85 -166.81 0.23 Allowed Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.441 ' O ' ' SG ' ' A' ' 25' ' ' CYS . . . -130.02 60.69 0.67 Allowed Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.441 ' SG ' ' O ' ' A' ' 24' ' ' GLY . 67.0 m -151.82 -97.75 0.06 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.297 -1.119 . . . . 0.0 110.18 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.331 0 O-C-N 119.807 -1.808 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MPT . . . . . 0.436 ' C ' ' N ' ' B' ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' B' ' 1' ' ' MPT . 0.0 OUTLIER 41.23 31.92 0.17 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.452 -0.78 . . . . 0.0 110.302 -179.849 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.436 ' N ' ' C ' ' B' ' 1' ' ' MPT . . . -110.89 61.97 0.61 Allowed 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.578 -0.701 . . . . 0.0 109.455 179.295 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.621 ' CB ' ' HA3' ' B' ' 23' ' ' GLY . 0.0 OUTLIER -131.09 -135.79 0.2 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.337 -0.852 . . . . 0.0 110.586 -178.873 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.736 HG23 ' O ' ' A' ' 21' ' ' VAL . 92.1 mt -90.66 150.23 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.09 -1.007 . . . . 0.0 110.212 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 76.9 mt -131.29 118.97 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.24 -0.912 . . . . 0.0 110.225 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ARG . . . . . 0.49 ' O ' ' HA ' ' B' ' 19' ' ' THR . 3.6 mtm180 -74.07 155.34 38.61 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.254 -0.904 . . . . 0.0 110.15 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' TYR . . . . . 0.554 ' O ' ' CD1' ' B' ' 9' ' ' PHE . 2.5 m-85 -149.0 158.31 44.09 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.379 -0.826 . . . . 0.0 110.193 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' PHE . . . . . 0.554 ' CD1' ' O ' ' B' ' 8' ' ' TYR . 8.5 m-85 -146.6 79.84 1.54 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.195 -0.941 . . . . 0.0 110.255 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' TYR . . . . . 0.976 ' HA ' ' HG2' ' B' ' 17' ' ' ABA . 82.8 t80 -50.46 107.51 0.17 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.226 -0.922 . . . . 0.0 110.234 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ASN . . . . . 0.481 ' HB3' ' O ' ' B' ' 15' ' ' GLY . 1.7 t-20 -96.97 -160.7 0.82 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.28 -0.888 . . . . 0.0 110.145 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.05 -165.72 1.42 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.18 -0.95 . . . . 0.0 110.303 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.452 ' O ' ' CB ' ' B' ' 14' ' ' ASP . 0.0 OUTLIER -57.33 141.0 48.53 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.286 -0.884 . . . . 0.0 110.045 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.452 ' CB ' ' O ' ' B' ' 13' ' ' LYS . 0.9 OUTLIER 65.8 9.2 5.84 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.231 -0.918 . . . . 0.0 110.126 -179.807 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.546 ' O ' ' C ' ' B' ' 16' ' ' CLH . . . -111.44 65.57 0.25 Allowed Glycine 0 N--CA 1.489 2.201 0 N-CA-C 109.225 -1.55 . . . . 0.0 109.225 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' CLH . . . . . 0.546 ' C ' ' O ' ' B' ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ABA . . . . . 0.976 ' HG2' ' HA ' ' B' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.511 ' HB3' ' CZ ' ' B' ' 20' ' ' PHE . 9.3 mt-30 -65.64 110.93 2.94 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.277 -0.889 . . . . 0.0 109.936 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.57 ' O ' ' CD1' ' B' ' 20' ' ' PHE . 5.5 t -105.1 150.74 24.76 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.166 -0.959 . . . . 0.0 110.424 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.57 ' CD1' ' O ' ' B' ' 19' ' ' THR . 6.5 m-85 -134.67 -161.6 1.16 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.21 -0.932 . . . . 0.0 110.188 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.462 ' O ' ' HB2' ' B' ' 22' ' ' TYR . 32.9 m -127.68 158.87 39.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.298 -0.876 . . . . 0.0 110.373 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' TYR . . . . . 0.462 ' HB2' ' O ' ' B' ' 21' ' ' VAL . 76.7 t80 -178.85 51.29 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.322 -0.861 . . . . 0.0 109.969 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.621 ' HA3' ' CB ' ' B' ' 4' ' ' ARG . . . -110.15 -140.42 8.62 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.879 -1.288 . . . . 0.0 109.879 -179.667 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLY . . . . . 0.522 ' O ' ' N ' ' B' ' 26' ' ' NH2 . . . -169.31 -48.29 0.03 OUTLIER Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.225 -1.55 . . . . 0.0 109.225 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 58.95 -75.94 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.319 -1.107 . . . . 0.0 110.3 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' NH2 . . . . . 0.522 ' N ' ' O ' ' B' ' 24' ' ' GLY . . . . . . . . 0 C--N 1.305 -1.355 0 O-C-N 119.768 -1.832 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm -124.27 48.02 1.99 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.184 -0.947 . . . . 0.0 110.266 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -105.68 55.83 0.68 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.306 -0.871 . . . . 0.0 110.252 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CLG . . . . . 0.518 ' HE3' HD12 ' B' ' 6' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 44.6 mt -115.13 106.15 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.24 -0.912 . . . . 0.0 110.172 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.8 mt -76.37 100.75 2.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.309 -0.87 . . . . 0.0 110.183 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 20' ' ' PHE . 0.8 OUTLIER -117.5 133.45 55.95 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.301 -0.874 . . . . 0.0 110.2 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.55 ' O ' ' CD1' ' A' ' 9' ' ' PHE . 27.1 p90 -144.1 -172.55 3.79 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.211 -0.931 . . . . 0.0 110.253 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.657 ' O ' ' HG3' ' A' ' 17' ' ' ABA . 43.9 m-85 -148.56 -164.78 2.1 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.313 -0.867 . . . . 0.0 110.162 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -142.49 110.47 5.92 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.242 -0.911 . . . . 0.0 110.259 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -99.4 80.89 2.46 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.266 -0.896 . . . . 0.0 110.158 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.25 -27.03 69.07 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.258 -0.901 . . . . 0.0 110.216 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.77 -80.33 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.238 -0.914 . . . . 0.0 109.329 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.53 -2.89 24.58 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.33 -0.857 . . . . 0.0 109.445 178.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.45 56.16 23.26 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.441 ' CD1' ' HB2' ' B' ' 11' ' ' ASN . 5.8 tp -148.55 80.64 1.45 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.328 -1.101 . . . . 0.0 110.241 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ABA . . . . . 0.657 ' HG3' ' O ' ' A' ' 9' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.495 ' HG2' ' CZ ' ' B' ' 9' ' ' PHE . 3.7 mt-30 -133.69 139.99 46.76 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.194 -0.941 . . . . 0.0 110.215 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.622 HG22 ' HB2' ' B' ' 8' ' ' TYR . 43.4 m -122.17 96.56 5.1 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.238 -0.914 . . . . 0.0 110.208 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.407 ' O ' ' O ' ' A' ' 7' ' ' ARG . 52.8 t80 -101.3 118.96 38.02 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.282 -0.886 . . . . 0.0 110.198 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.474 HG12 ' N ' ' A' ' 22' ' ' TYR . 30.9 t -111.81 168.74 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.344 -0.848 . . . . 0.0 110.299 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.474 ' N ' HG12 ' A' ' 21' ' ' VAL . 7.4 t80 -140.04 113.26 8.35 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.229 -0.92 . . . . 0.0 110.198 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.83 -166.87 25.2 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -126.45 -42.32 0.3 Allowed Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.556 -1.417 . . . . 0.0 109.556 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 14.4 p -153.22 143.78 22.6 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.19 -1.182 . . . . 0.0 110.177 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.36 0 O-C-N 119.82 -1.8 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 24.8 ttmt 43.89 41.92 4.2 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.209 -0.932 . . . . 0.0 110.126 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.571 ' HB3' ' O ' ' B' ' 22' ' ' TYR . . . -110.34 -166.86 1.12 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.383 -0.823 . . . . 0.0 110.182 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.43 ' HB3' ' O ' ' B' ' 3' ' ' ALA . 0.0 OUTLIER 179.08 47.86 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.246 -0.909 . . . . 0.0 110.177 179.866 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 12.2 mt -136.63 99.77 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.265 -0.897 . . . . 0.0 110.204 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.518 HD12 ' HE3' ' A' ' 4' ' ' CLG . 34.0 mt -71.17 117.63 14.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.31 -0.869 . . . . 0.0 110.202 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.23 120.94 37.44 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.252 -0.905 . . . . 0.0 110.171 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' TYR . . . . . 0.622 ' HB2' HG22 ' A' ' 19' ' ' THR . 1.9 m-85 -113.73 165.89 12.09 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.352 -0.842 . . . . 0.0 110.127 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' PHE . . . . . 0.495 ' CZ ' ' HG2' ' A' ' 18' ' ' GLN . 0.2 OUTLIER -149.51 135.23 18.63 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.209 -0.932 . . . . 0.0 110.327 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 10' ' ' TYR . . . . . 0.434 ' CG ' ' O ' ' B' ' 10' ' ' TYR . 28.3 t80 -114.87 38.09 3.26 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.247 -0.908 . . . . 0.0 110.251 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ASN . . . . . 0.441 ' HB2' ' CD1' ' A' ' 16' ' ' LEU . 12.3 p30 -60.37 -153.18 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.286 -0.884 . . . . 0.0 110.234 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -47.55 130.58 14.03 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.186 -0.946 . . . . 0.0 110.207 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.77 -18.79 9.2 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.282 -0.886 . . . . 0.0 110.202 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -56.63 -27.62 58.8 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.201 -0.937 . . . . 0.0 110.249 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.466 ' O ' ' C ' ' B' ' 16' ' ' CLH . . . -94.21 14.15 65.9 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' CLH . . . . . 0.466 ' C ' ' O ' ' B' ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ABA . . . . . 0.491 ' CG ' ' O ' ' B' ' 9' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.421 ' HB2' ' HB3' ' B' ' 9' ' ' PHE . 0.7 OUTLIER -61.18 160.51 10.21 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.26 -0.9 . . . . 0.0 110.257 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -146.33 154.3 41.51 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.282 -0.886 . . . . 0.0 110.199 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -123.11 175.46 6.62 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.306 -0.871 . . . . 0.0 110.217 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 40.3 t -134.27 71.98 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.268 -0.895 . . . . 0.0 110.208 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' TYR . . . . . 0.571 ' O ' ' HB3' ' B' ' 3' ' ' ALA . 0.1 OUTLIER -83.41 -0.76 51.39 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.338 -0.851 . . . . 0.0 110.237 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -108.56 12.66 35.89 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -123.48 -70.31 0.23 Allowed Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 49.11 -156.03 0.08 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.193 -1.18 . . . . 0.0 110.175 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.347 0 O-C-N 119.825 -1.797 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.521 ' O ' ' N ' ' A' ' 24' ' ' GLY . 0.8 OUTLIER -141.53 77.64 1.6 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.195 -0.941 . . . . 0.0 110.069 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 25' ' ' CYS . . . -98.07 58.5 1.34 Allowed 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.271 -0.893 . . . . 0.0 110.129 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CLG . . . . . 0.565 ' HB3' ' HA2' ' A' ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' A' ' 6' ' ' ILE . 1.1 pt -121.79 133.78 67.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.067 -1.02 . . . . 0.0 110.353 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.735 ' HA ' HG22 ' A' ' 21' ' ' VAL . 57.6 mt -43.55 150.67 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.322 -0.862 . . . . 0.0 109.728 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.441 ' HA ' ' HD2' ' A' ' 7' ' ' ARG . 3.0 tpt180 -163.15 110.48 1.21 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.109 -0.994 . . . . 0.0 110.588 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.56 ' CB ' ' O ' ' A' ' 18' ' ' GLN . 3.3 p90 -114.53 161.95 17.35 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.396 -0.815 . . . . 0.0 109.385 179.206 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.934 ' CE1' HD23 ' A' ' 16' ' ' LEU . 1.5 p90 -111.26 33.56 4.59 Favored 'General case' 0 N--CA 1.496 1.847 0 C-N-CA 118.339 -1.344 . . . . 0.0 110.951 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.718 ' HD1' ' HG3' ' A' ' 17' ' ' ABA . 24.0 t80 1.05 -94.85 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.341 0 CA-C-O 121.346 0.594 . . . . 0.0 112.254 179.214 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.492 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 80.4 m-20 56.46 85.75 0.07 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.245 -0.91 . . . . 0.0 110.26 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.598 ' HB2' ' CZ ' ' A' ' 10' ' ' TYR . . . -74.43 -10.28 59.41 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.178 -0.951 . . . . 0.0 110.12 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.7 mttm -53.27 -75.02 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.225 -0.922 . . . . 0.0 109.459 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -72.32 -4.2 28.36 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.39 -0.818 . . . . 0.0 109.488 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.637 ' O ' HD12 ' A' ' 16' ' ' LEU . . . 78.49 70.83 1.28 Allowed Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.955 HD11 ' HB2' ' B' ' 11' ' ' ASN . 0.6 OUTLIER -138.57 168.07 20.57 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.359 -1.083 . . . . 0.0 110.113 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ABA . . . . . 0.718 ' HG3' ' HD1' ' A' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.652 ' HB3' ' CE2' ' A' ' 9' ' ' PHE . 1.4 tm0? -80.24 144.73 32.66 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.262 -0.899 . . . . 0.0 110.363 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.471 ' HA ' ' HB3' ' A' ' 8' ' ' TYR . 10.9 m -115.23 94.7 4.84 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 121.173 0.511 . . . . 0.0 109.872 179.519 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.544 ' CZ ' ' CK ' ' A' ' 4' ' ' CLG . 22.6 t80 -95.53 125.6 40.24 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.311 -0.868 . . . . 0.0 110.337 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.735 HG22 ' HA ' ' A' ' 6' ' ' ILE . 4.4 t -136.03 101.17 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.214 -0.929 . . . . 0.0 110.207 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.828 ' CD1' HG22 ' B' ' 5' ' ' ILE . 1.8 t80 -106.09 66.46 0.72 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.191 -0.943 . . . . 0.0 110.526 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.565 ' HA2' ' HB3' ' A' ' 4' ' ' CLG . . . -111.32 -128.41 5.26 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.969 -1.252 . . . . 0.0 109.969 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 2' ' ' LYS . . . 121.58 107.34 2.01 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.335 -1.506 . . . . 0.0 109.335 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' A' ' 3' ' ' ALA . 8.5 t 56.23 162.29 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.2 -1.177 . . . . 0.0 110.108 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . 0.434 ' N ' ' SG ' ' A' ' 25' ' ' CYS . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 119.806 -1.809 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.54 51.77 1.93 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.16 -0.962 . . . . 0.0 109.894 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.764 ' HB2' ' HB2' ' B' ' 22' ' ' TYR . . . -97.68 63.01 1.69 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.307 -0.87 . . . . 0.0 110.631 -179.674 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.531 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 3.2 tpt180 -90.31 32.09 0.96 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.248 -0.907 . . . . 0.0 109.777 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.828 HG22 ' CD1' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -128.29 53.46 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.692 -0.63 . . . . 0.0 110.732 -179.743 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 1.016 HD12 HG21 ' B' ' 21' ' ' VAL . 1.0 OUTLIER -49.62 118.22 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.02 -1.05 . . . . 0.0 109.473 179.484 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ARG . . . . . 0.542 ' HD3' ' CE1' ' B' ' 20' ' ' PHE . 0.0 OUTLIER -127.9 153.85 46.19 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.247 -0.908 . . . . 0.0 110.489 -179.617 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 8' ' ' TYR . . . . . 0.736 ' CD1' HG23 ' B' ' 19' ' ' THR . 94.9 m-85 -135.14 74.37 1.52 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.538 -0.726 . . . . 0.0 110.18 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' PHE . . . . . 0.573 ' CB ' ' HG3' ' A' ' 18' ' ' GLN . 5.6 t80 -89.92 127.78 36.09 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.167 -0.958 . . . . 0.0 110.434 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' TYR . . . . . 0.464 ' O ' ' O ' ' B' ' 11' ' ' ASN . 35.6 t80 -152.24 52.98 0.8 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.279 -0.888 . . . . 0.0 110.098 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ASN . . . . . 0.955 ' HB2' HD11 ' A' ' 16' ' ' LEU . 19.2 p-10 -59.53 -143.21 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.334 -0.854 . . . . 0.0 110.243 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ALA . . . . . 0.532 ' O ' ' N ' ' B' ' 14' ' ' ASP . . . -55.23 135.87 49.27 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.151 -0.968 . . . . 0.0 110.127 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.46 ' O ' ' HB3' ' B' ' 14' ' ' ASP . 0.0 OUTLIER -61.74 73.8 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.367 -0.833 . . . . 0.0 110.18 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' B' ' 12' ' ' ALA . 0.8 OUTLIER 173.52 -28.86 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.335 -0.853 . . . . 0.0 109.987 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.405 ' HA3' HD22 ' B' ' 11' ' ' ASN . . . -64.58 -92.45 0.03 OUTLIER Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' CLH . . . . . 0.473 ' HG2' ' O ' ' B' ' 16' ' ' CLH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ABA . . . . . 0.697 ' O ' ' HG3' ' B' ' 17' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.592 ' HG2' ' CE2' ' B' ' 20' ' ' PHE . 4.0 tt0 -118.49 57.6 0.85 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.145 -0.972 . . . . 0.0 110.373 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.736 HG23 ' CD1' ' B' ' 8' ' ' TYR . 23.4 m -111.36 85.77 2.19 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.265 -0.897 . . . . 0.0 109.61 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.592 ' CE2' ' HG2' ' B' ' 18' ' ' GLN . 4.6 p90 -150.41 162.73 40.0 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.095 -1.003 . . . . 0.0 111.06 -179.041 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 1.016 HG21 HD12 ' B' ' 6' ' ' ILE . 8.0 p -151.26 108.98 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.603 -0.686 . . . . 0.0 109.748 179.409 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' TYR . . . . . 0.764 ' HB2' ' HB2' ' B' ' 3' ' ' ALA . 0.1 OUTLIER -89.29 10.65 21.48 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.079 -1.013 . . . . 0.0 109.776 -179.857 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.693 ' N ' ' HB3' ' B' ' 3' ' ' ALA . . . -51.66 167.73 0.67 Allowed Glycine 0 N--CA 1.489 2.199 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 151.04 -27.44 1.01 Allowed Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 25.0 p -127.7 -176.83 3.88 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.224 -1.162 . . . . 0.0 110.264 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.308 0 O-C-N 119.941 -1.724 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 62.28 85.31 0.13 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.218 -0.926 . . . . 0.0 110.171 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.78 49.12 1.29 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.219 -0.926 . . . . 0.0 110.166 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CLG . . . . . 0.469 ' HA ' ' O ' ' A' ' 22' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.541 HG23 ' O ' ' A' ' 5' ' ' ILE . 0.8 OUTLIER -50.86 128.36 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.196 -0.94 . . . . 0.0 110.229 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.434 HG22 ' CD1' ' A' ' 8' ' ' TYR . 17.8 mt -98.62 77.8 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.283 -0.885 . . . . 0.0 110.217 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -93.76 102.0 14.13 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.209 -0.932 . . . . 0.0 110.136 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.533 ' O ' ' CD1' ' A' ' 9' ' ' PHE . 31.1 p90 -134.52 177.16 7.99 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.224 -0.922 . . . . 0.0 110.23 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.533 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 11.8 m-85 -134.08 72.72 1.47 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.279 -0.888 . . . . 0.0 110.108 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.696 ' HA ' ' HG3' ' A' ' 17' ' ' ABA . 22.4 t80 -50.72 147.47 4.76 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.218 -0.926 . . . . 0.0 110.3 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.422 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 20.9 t-20 -164.81 76.49 0.3 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.294 -0.879 . . . . 0.0 110.059 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.58 -31.71 64.51 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.315 -0.866 . . . . 0.0 110.172 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.82 -71.6 0.06 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.175 -0.953 . . . . 0.0 109.238 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.21 -2.44 48.71 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.442 -0.786 . . . . 0.0 109.305 178.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.476 ' O ' ' O ' ' B' ' 11' ' ' ASN . . . 69.96 12.66 68.48 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.433 ' HA ' ' O ' ' B' ' 11' ' ' ASN . 1.6 tt -89.43 114.6 26.09 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.293 -1.122 . . . . 0.0 110.141 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ABA . . . . . 0.696 ' HG3' ' HA ' ' A' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.417 ' O ' ' HA ' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -61.82 108.03 0.94 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.215 -0.928 . . . . 0.0 110.124 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.461 ' HB ' ' O ' ' B' ' 8' ' ' TYR . 17.1 m -102.32 89.89 3.72 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.165 -0.96 . . . . 0.0 110.292 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.624 ' CE2' ' NH1' ' B' ' 7' ' ' ARG . 1.9 t80 -94.23 121.17 35.47 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.281 -0.887 . . . . 0.0 110.16 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.8 t -116.58 161.97 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.269 -0.895 . . . . 0.0 110.403 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.742 ' CE1' HD12 ' B' ' 5' ' ' ILE . 10.9 t80 -167.07 177.3 6.34 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.253 -0.905 . . . . 0.0 110.234 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -108.4 136.76 13.71 Favored Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.476 -1.449 . . . . 0.0 109.476 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -119.38 -65.54 0.29 Allowed Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.674 -1.371 . . . . 0.0 109.674 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.68 -50.36 72.78 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.301 -1.117 . . . . 0.0 110.313 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.364 0 O-C-N 119.873 -1.767 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt 49.1 58.17 5.67 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.287 -0.883 . . . . 0.0 110.183 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.08 -162.99 0.72 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.185 -0.947 . . . . 0.0 110.251 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -141.37 -60.05 0.48 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.211 -0.93 . . . . 0.0 110.266 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.742 HD12 ' CE1' ' A' ' 22' ' ' TYR . 9.9 tt -144.03 76.38 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 O-C-N 121.508 -0.745 . . . . 0.0 110.282 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.675 HD11 ' OH ' ' B' ' 8' ' ' TYR . 7.4 tt -110.24 174.07 2.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.302 -0.874 . . . . 0.0 110.112 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ARG . . . . . 0.624 ' NH1' ' CE2' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -165.92 113.11 0.91 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.237 -0.914 . . . . 0.0 110.508 -179.9 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 8' ' ' TYR . . . . . 0.675 ' OH ' HD11 ' B' ' 6' ' ' ILE . 91.3 m-85 -101.33 123.92 46.2 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.422 -0.799 . . . . 0.0 109.9 179.686 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' PHE . . . . . 0.53 ' O ' ' CB ' ' B' ' 18' ' ' GLN . 11.8 t80 -150.58 94.1 2.05 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.022 -1.049 . . . . 0.0 110.916 -179.717 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' TYR . . . . . 0.76 ' HB2' ' N ' ' B' ' 17' ' ' ABA . 1.3 t80 -76.04 -87.33 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.952 -1.092 . . . . 0.0 109.704 179.251 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ASN . . . . . 0.597 ' N ' ' CG ' ' B' ' 10' ' ' TYR . 4.3 t-20 161.12 -81.87 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 -179.618 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ALA . . . . . 0.569 ' O ' ' CD2' ' B' ' 10' ' ' TYR . . . -92.43 -155.92 0.45 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.198 -0.939 . . . . 0.0 111.028 179.45 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 40.24 -152.21 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.622 -0.674 . . . . 0.0 111.357 179.692 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.13 -10.31 6.13 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.46 -0.775 . . . . 0.0 111.105 -179.209 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.639 ' HA2' ' HB3' ' B' ' 10' ' ' TYR . . . 74.37 69.53 1.38 Allowed Glycine 0 N--CA 1.489 2.181 0 C-N-CA 119.746 -1.216 . . . . 0.0 110.411 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' CLH . . . . . 0.657 ' C ' ' HB2' ' B' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ABA . . . . . 0.76 ' N ' ' HB2' ' B' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.53 ' CB ' ' O ' ' B' ' 9' ' ' PHE . 1.7 tt0 53.28 65.89 1.39 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.121 -0.987 . . . . 0.0 109.232 -179.093 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.609 ' CG2' ' CE2' ' B' ' 8' ' ' TYR . 36.3 m -103.24 143.58 32.45 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.418 -0.801 . . . . 0.0 110.467 -179.461 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.449 ' O ' HG13 ' B' ' 6' ' ' ILE . 13.0 m-30 -103.27 123.32 46.55 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.358 -0.839 . . . . 0.0 110.073 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 38.5 t -89.85 126.95 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.198 -0.939 . . . . 0.0 110.2 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' TYR . . . . . 0.684 ' HB3' HG23 ' B' ' 5' ' ' ILE . 2.2 t80 -166.72 -46.33 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.246 -0.909 . . . . 0.0 110.233 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.55 -70.13 1.06 Allowed Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.68 105.28 3.01 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 16.0 m -114.41 139.96 49.07 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.212 -1.169 . . . . 0.0 110.247 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.308 0 O-C-N 119.939 -1.726 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.25 51.03 0.99 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.223 -0.923 . . . . 0.0 110.115 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -109.13 47.9 0.9 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.317 -0.865 . . . . 0.0 110.225 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CLG . . . . . 0.448 ' O ' ' O ' ' A' ' 5' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.758 ' O ' HG23 ' A' ' 21' ' ' VAL . 5.8 mt -46.48 173.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.169 -0.957 . . . . 0.0 110.221 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.584 ' N ' HG22 ' A' ' 5' ' ' ILE . 15.2 mm -143.89 115.47 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.197 -0.939 . . . . 0.0 110.297 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.418 ' HG3' ' C ' ' A' ' 6' ' ' ILE . 1.4 mtp-105 -129.68 111.28 12.51 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.254 -0.904 . . . . 0.0 110.156 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.751 ' HB3' HG23 ' A' ' 19' ' ' THR . 52.9 p90 -130.57 176.64 8.0 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.218 -0.926 . . . . 0.0 110.319 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.466 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 30.6 m-85 -146.3 89.53 1.87 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.307 -0.871 . . . . 0.0 110.184 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.426 ' C ' ' O ' ' A' ' 9' ' ' PHE . 33.6 t80 -42.42 106.86 0.07 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.312 -0.868 . . . . 0.0 110.351 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.422 ' HB3' ' OD1' ' A' ' 14' ' ' ASP . 1.0 OUTLIER -106.11 96.23 6.33 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.256 -0.903 . . . . 0.0 110.144 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.97 -26.7 59.78 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.166 -0.959 . . . . 0.0 110.243 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -50.85 -75.54 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.231 -0.918 . . . . 0.0 109.372 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.457 ' N ' ' OD1' ' A' ' 14' ' ' ASP . 31.5 p-10 -78.44 0.52 25.5 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.4 -0.813 . . . . 0.0 109.476 178.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.917 ' O ' HD22 ' A' ' 16' ' ' LEU . . . 57.97 62.18 6.59 Favored Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.367 -1.493 . . . . 0.0 109.367 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.917 HD22 ' O ' ' A' ' 15' ' ' GLY . 0.5 OUTLIER -142.48 105.97 4.64 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.29 -1.124 . . . . 0.0 110.111 -179.795 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.505 ' N ' ' O ' ' A' ' 16' ' ' LEU . 1.6 tt0 -55.89 101.64 0.06 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.441 -0.787 . . . . 0.0 110.544 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.751 HG23 ' HB3' ' A' ' 8' ' ' TYR . 17.3 m -116.59 90.46 3.34 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.309 -0.869 . . . . 0.0 109.812 179.645 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.594 ' CD2' ' HD2' ' B' ' 7' ' ' ARG . 0.2 OUTLIER -89.53 124.28 34.38 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.32 -0.862 . . . . 0.0 110.387 -179.663 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.987 HG13 HG23 ' B' ' 6' ' ' ILE . 1.9 p -121.6 158.95 24.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.288 -0.882 . . . . 0.0 110.262 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.513 ' HA ' ' HA ' ' B' ' 5' ' ' ILE . 19.6 t80 -114.18 112.65 23.52 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.25 -0.906 . . . . 0.0 110.027 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.44 -108.43 0.01 OUTLIER Glycine 0 N--CA 1.489 2.201 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 121.23 -12.72 9.67 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 97.7 m -121.29 115.11 22.36 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.338 -1.095 . . . . 0.0 110.167 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 119.84 -1.787 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.4 ' HE2' ' HB2' ' B' ' 2' ' ' LYS . 1.6 mppt? 55.17 65.81 1.39 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.215 -0.928 . . . . 0.0 110.155 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.43 -166.19 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.275 -0.891 . . . . 0.0 110.291 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.494 ' HG3' ' HA2' ' B' ' 23' ' ' GLY . 0.0 OUTLIER -155.29 -152.44 0.4 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.268 -0.895 . . . . 0.0 110.226 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.594 HD12 ' OH ' ' B' ' 22' ' ' TYR . 15.2 mt -82.61 86.66 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.138 -0.976 . . . . 0.0 110.113 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.987 HG23 HG13 ' A' ' 21' ' ' VAL . 2.0 tt -54.01 133.46 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.174 -0.954 . . . . 0.0 110.091 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ARG . . . . . 0.594 ' HD2' ' CD2' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -102.32 96.73 7.15 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.164 -0.96 . . . . 0.0 110.273 -179.812 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 8' ' ' TYR . . . . . 0.661 ' CE2' HG21 ' B' ' 19' ' ' THR . 0.3 OUTLIER -80.11 63.41 4.6 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.249 -0.907 . . . . 0.0 110.129 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 9' ' ' PHE . . . . . 0.696 ' CE1' HD12 ' A' ' 16' ' ' LEU . 78.7 t80 -89.96 118.7 29.73 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.254 -0.904 . . . . 0.0 109.941 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' TYR . . . . . 0.576 ' CD1' ' HA ' ' B' ' 17' ' ' ABA . 7.5 t80 -124.38 146.61 48.76 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.261 -0.9 . . . . 0.0 110.535 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ASN . . . . . 0.715 ' ND2' HD21 ' A' ' 16' ' ' LEU . 12.3 t-20 -122.13 -156.95 0.71 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.389 -0.819 . . . . 0.0 109.613 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.26 -142.95 0.16 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.126 -0.984 . . . . 0.0 110.245 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.462 ' O ' ' CE ' ' B' ' 13' ' ' LYS . 0.0 OUTLIER 47.21 23.51 0.33 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.325 -0.86 . . . . 0.0 110.147 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' B' ' 13' ' ' LYS . 14.7 t0 42.67 56.5 3.86 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.305 -0.872 . . . . 0.0 109.97 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.553 ' O ' ' C ' ' B' ' 16' ' ' CLH . . . -79.64 45.68 2.94 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 110.376 -1.09 . . . . 0.0 110.376 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' CLH . . . . . 0.553 ' C ' ' O ' ' B' ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ABA . . . . . 0.576 ' HA ' ' CD1' ' B' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.519 ' CB ' ' O ' ' B' ' 9' ' ' PHE . 0.0 OUTLIER -95.94 80.11 3.31 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.022 -1.049 . . . . 0.0 110.144 179.85 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.661 HG21 ' CE2' ' B' ' 8' ' ' TYR . 21.5 p -105.8 125.34 50.88 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.19 -0.944 . . . . 0.0 110.239 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.508 ' CZ ' ' HG2' ' B' ' 7' ' ' ARG . 35.2 p90 -150.12 154.64 38.41 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.267 -0.896 . . . . 0.0 110.308 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.946 HG12 ' HA ' ' B' ' 6' ' ' ILE . 4.2 m -117.32 -175.64 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.321 -0.862 . . . . 0.0 110.107 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' TYR . . . . . 0.594 ' OH ' HD12 ' B' ' 5' ' ' ILE . 8.0 p90 -143.9 22.32 1.76 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.176 -0.953 . . . . 0.0 110.286 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.494 ' HA2' ' HG3' ' B' ' 4' ' ' ARG . . . -67.82 -52.03 31.51 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.1 48.59 0.6 Allowed Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.521 -1.431 . . . . 0.0 109.521 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 49.0 t -86.13 -73.24 0.46 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.325 -1.103 . . . . 0.0 110.185 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 119.882 -1.761 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -148.56 48.0 1.03 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.343 -0.848 . . . . 0.0 110.156 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -110.0 57.46 0.61 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.303 -0.873 . . . . 0.0 110.245 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CLG . . . . . 0.473 ' O ' ' N ' ' A' ' 6' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.675 HG23 ' O ' ' A' ' 5' ' ' ILE . 6.8 tt -56.6 86.37 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.246 -0.909 . . . . 0.0 110.221 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.684 ' HA ' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -56.7 84.31 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.255 -0.903 . . . . 0.0 110.283 -179.858 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.503 ' CB ' ' O ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -75.19 81.95 2.34 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.246 -0.909 . . . . 0.0 109.963 179.758 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.823 ' CE1' HG23 ' A' ' 19' ' ' THR . 6.8 m-85 -96.98 125.77 41.64 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.244 -0.91 . . . . 0.0 110.51 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.523 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 17.5 m-85 -141.97 125.91 17.19 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.288 -0.882 . . . . 0.0 109.785 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.496 ' HA ' ' O ' ' A' ' 16' ' ' LEU . 11.9 t80 -120.71 148.87 43.36 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.179 -0.951 . . . . 0.0 110.731 -179.658 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.47 ' O ' ' N ' ' A' ' 15' ' ' GLY . 48.2 t-20 -137.07 90.23 2.51 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.451 -0.781 . . . . 0.0 109.882 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.55 -36.79 36.15 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.34 -0.85 . . . . 0.0 110.338 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.503 ' CA ' ' HE3' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -49.11 -80.65 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.158 -0.964 . . . . 0.0 109.371 179.783 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -74.69 -2.0 24.33 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.356 -0.84 . . . . 0.0 109.362 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 11' ' ' ASN . . . 60.21 71.11 0.83 Allowed Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.496 ' O ' ' HA ' ' A' ' 10' ' ' TYR . 1.5 tt -139.43 127.73 22.7 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.233 -1.157 . . . . 0.0 110.293 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ABA . . . . . 0.428 ' HA ' ' HA ' ' A' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.456 ' HG3' ' CE2' ' A' ' 20' ' ' PHE . 0.8 OUTLIER -75.31 147.52 40.08 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.243 -0.911 . . . . 0.0 110.021 179.744 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.823 HG23 ' CE1' ' A' ' 8' ' ' TYR . 20.2 m -147.42 64.96 1.14 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.274 -0.891 . . . . 0.0 110.349 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.575 ' CD1' ' HG2' ' B' ' 7' ' ' ARG . 14.5 m-30 -90.89 151.67 21.04 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.279 -0.888 . . . . 0.0 110.055 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.718 HG22 HG13 ' B' ' 6' ' ' ILE . 13.0 m -143.03 -162.74 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.15 -0.968 . . . . 0.0 110.413 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.431 ' CD2' HG13 ' B' ' 5' ' ' ILE . 3.3 t80 -176.59 94.57 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.233 -0.917 . . . . 0.0 110.15 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' B' ' 4' ' ' ARG . . . -108.78 -167.67 20.83 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.456 ' HA2' ' HB3' ' B' ' 4' ' ' ARG . . . -152.46 -97.73 0.16 Allowed Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' A' ' 24' ' ' GLY . 2.9 t 43.98 27.31 0.18 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.195 -1.179 . . . . 0.0 110.248 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 119.883 -1.76 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 11.5 mttm 57.7 84.97 0.09 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.243 -0.911 . . . . 0.0 110.191 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.18 114.27 3.34 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.249 -0.907 . . . . 0.0 110.268 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.456 ' HB3' ' HA2' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -172.71 87.31 0.07 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.183 -0.948 . . . . 0.0 110.191 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.764 HD13 ' C ' ' B' ' 5' ' ' ILE . 0.0 OUTLIER -154.5 137.24 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.289 -0.882 . . . . 0.0 110.272 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.718 HG13 HG22 ' A' ' 21' ' ' VAL . 34.1 pt -123.56 151.01 27.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.327 -0.858 . . . . 0.0 110.017 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ARG . . . . . 0.575 ' HG2' ' CD1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -113.27 73.35 0.81 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.278 -0.889 . . . . 0.0 110.411 -179.902 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 8' ' ' TYR . . . . . 0.484 ' HB2' ' O ' ' A' ' 19' ' ' THR . 1.0 OUTLIER -64.93 142.94 58.26 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.135 -0.978 . . . . 0.0 109.972 179.716 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 9' ' ' PHE . . . . . 0.522 ' HB3' ' CB ' ' B' ' 18' ' ' GLN . 0.2 OUTLIER -143.92 91.17 2.2 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.129 -0.982 . . . . 0.0 110.334 -179.778 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 10' ' ' TYR . . . . . 0.496 ' O ' ' HA ' ' B' ' 16' ' ' CLH . 30.2 t80 -54.68 -72.34 0.07 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.24 -0.912 . . . . 0.0 110.338 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ASN . . . . . 0.509 ' ND2' ' OE1' ' B' ' 18' ' ' GLN . 2.1 p30 48.46 178.44 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.433 -0.792 . . . . 0.0 110.44 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.37 -98.85 0.1 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.154 -0.966 . . . . 0.0 110.387 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' B' ' 15' ' ' GLY . 0.1 OUTLIER 43.55 35.68 1.03 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.033 -1.042 . . . . 0.0 110.211 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.464 ' C ' ' O ' ' B' ' 13' ' ' LYS . 2.3 p30 36.46 30.08 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.727 -0.608 . . . . 0.0 110.763 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.553 ' O ' ' C ' ' B' ' 16' ' ' CLH . . . -124.88 -31.07 0.9 Allowed Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.617 -1.393 . . . . 0.0 109.617 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' CLH . . . . . 0.553 ' C ' ' O ' ' B' ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ABA . . . . . 0.464 ' O ' ' O ' ' B' ' 9' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.522 ' CB ' ' HB3' ' B' ' 9' ' ' PHE . 17.7 mt-30 41.93 70.04 0.31 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.296 -0.877 . . . . 0.0 110.182 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.522 HG22 HG13 ' B' ' 21' ' ' VAL . 85.9 m -104.0 135.93 44.59 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.219 -0.926 . . . . 0.0 110.286 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.586 ' HB3' ' CE2' ' B' ' 22' ' ' TYR . 3.5 m-85 -120.69 90.49 3.33 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.232 -0.917 . . . . 0.0 110.045 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.586 ' O ' HG23 ' B' ' 21' ' ' VAL . 14.6 m -98.16 124.14 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.26 -0.9 . . . . 0.0 110.372 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' TYR . . . . . 0.588 ' CD1' ' N ' ' B' ' 22' ' ' TYR . 0.0 OUTLIER -177.33 66.78 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.277 -0.889 . . . . 0.0 110.314 179.844 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -48.87 119.42 5.9 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.474 -1.451 . . . . 0.0 109.474 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.74 50.54 0.76 Allowed Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 36.7 t -107.3 118.47 36.81 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.264 -1.139 . . . . 0.0 110.206 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 119.826 -1.796 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MPT . . . . . 0.593 ' C ' ' CD ' ' A' ' 2' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.593 ' CD ' ' C ' ' A' ' 1' ' ' MPT . 0.0 OUTLIER 36.15 42.51 0.18 Allowed 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.703 -0.623 . . . . 0.0 110.81 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.466 ' O ' ' HD2' ' A' ' 4' ' ' CLG . . . -110.47 37.74 2.66 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.296 -0.877 . . . . 0.0 110.209 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CLG . . . . . 0.562 ' HB3' ' HA2' ' A' ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.613 HG22 ' H ' ' A' ' 6' ' ' ILE . 22.5 mt -75.39 179.44 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.29 -0.881 . . . . 0.0 109.814 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.613 ' H ' HG22 ' A' ' 5' ' ' ILE . 2.5 mt -40.05 94.24 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.329 -0.857 . . . . 0.0 110.51 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.638 ' CB ' ' CE2' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -125.29 135.47 52.53 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.302 -0.874 . . . . 0.0 110.177 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.716 ' CZ ' HG23 ' A' ' 19' ' ' THR . 9.6 m-85 -126.14 110.02 13.02 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.422 -0.799 . . . . 0.0 110.293 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.529 ' CD1' ' N ' ' A' ' 9' ' ' PHE . 14.7 m-85 -128.05 92.67 3.5 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.237 -0.915 . . . . 0.0 109.818 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.59 ' HB2' ' HG3' ' A' ' 17' ' ' ABA . 8.9 t80 -97.46 85.33 3.61 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.269 -0.894 . . . . 0.0 110.612 -179.505 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.504 ' ND2' ' OD1' ' A' ' 14' ' ' ASP . 23.1 p30 -68.23 115.4 7.64 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.255 -0.903 . . . . 0.0 109.516 179.413 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.46 -23.5 66.28 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.288 -0.883 . . . . 0.0 110.302 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.85 -72.78 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.156 -0.965 . . . . 0.0 109.112 179.55 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.504 ' OD1' ' ND2' ' A' ' 11' ' ' ASN . 17.0 p-10 -87.67 0.28 55.9 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.4 -0.813 . . . . 0.0 109.165 178.626 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.22 67.09 2.31 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.84 HD12 ' O ' ' B' ' 10' ' ' TYR . 20.2 tp -131.48 102.61 6.0 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.123 -1.222 . . . . 0.0 110.364 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ABA . . . . . 0.59 ' HG3' ' HB2' ' A' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.525 ' HA ' ' CB ' ' B' ' 9' ' ' PHE . 18.7 tt0 -69.87 103.03 2.09 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.28 -0.887 . . . . 0.0 110.302 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.716 HG23 ' CZ ' ' A' ' 8' ' ' TYR . 1.2 m -115.76 101.31 8.7 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.443 -0.786 . . . . 0.0 109.835 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.638 ' CE2' ' CB ' ' A' ' 7' ' ' ARG . 2.5 p90 -116.53 117.85 31.01 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.957 -1.089 . . . . 0.0 109.75 179.617 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.77 HG23 ' O ' ' A' ' 21' ' ' VAL . 15.7 m -113.52 91.3 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.286 -0.884 . . . . 0.0 110.525 -179.115 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.808 ' HB2' HG22 ' B' ' 6' ' ' ILE . 0.4 OUTLIER 159.75 92.27 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -179.854 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.562 ' HA2' ' HB3' ' A' ' 4' ' ' CLG . . . -69.87 -70.14 1.24 Allowed Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 -179.187 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.524 ' O ' ' CA ' ' A' ' 2' ' ' LYS . . . 51.87 -103.09 0.1 OUTLIER Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.857 -1.297 . . . . 0.0 109.857 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.449 ' HA ' ' HB2' ' A' ' 1' ' ' MPT . 0.1 OUTLIER -173.54 -83.75 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.208 -1.172 . . . . 0.0 110.133 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 119.898 -1.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.41 ' HD2' ' HA ' ' B' ' 2' ' ' LYS . 11.2 tptt -97.34 50.47 1.07 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.299 -0.876 . . . . 0.0 110.37 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.522 ' HA ' ' HA2' ' A' ' 24' ' ' GLY . . . -93.71 127.67 39.53 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.208 -0.932 . . . . 0.0 110.28 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.606 ' HB2' ' CD2' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -118.31 138.9 52.07 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.256 -0.903 . . . . 0.0 110.312 -179.775 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.804 HD13 ' H ' ' B' ' 5' ' ' ILE . 0.1 OUTLIER -143.19 124.73 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.262 -0.899 . . . . 0.0 110.582 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.808 HG22 ' HB2' ' A' ' 22' ' ' TYR . 2.3 tt -153.02 119.07 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.18 -0.95 . . . . 0.0 110.063 179.532 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ARG . . . . . 0.536 ' HB2' ' CD2' ' B' ' 20' ' ' PHE . 2.6 mmm180 -100.69 102.5 13.62 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.415 -0.803 . . . . 0.0 110.866 -179.404 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' TYR . . . . . 0.651 ' CE2' HG21 ' B' ' 19' ' ' THR . 0.2 OUTLIER -102.95 100.47 10.43 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.449 -0.782 . . . . 0.0 109.181 179.246 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 9' ' ' PHE . . . . . 0.525 ' CB ' ' HA ' ' A' ' 18' ' ' GLN . 11.2 p90 -142.25 159.3 42.51 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.684 -1.26 . . . . 0.0 111.881 -178.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' TYR . . . . . 0.84 ' O ' HD12 ' A' ' 16' ' ' LEU . 8.6 t80 -124.11 -176.0 3.38 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ASN . . . . . 0.523 ' OD1' ' CA ' ' B' ' 17' ' ' ABA . 0.9 OUTLIER 177.17 -177.76 0.17 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.991 -1.068 . . . . 0.0 110.726 -179.804 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.8 -152.9 0.29 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.424 -0.798 . . . . 0.0 110.373 179.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.498 ' O ' ' CB ' ' B' ' 14' ' ' ASP . 1.4 mtpt -63.37 140.49 58.88 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.367 -0.833 . . . . 0.0 110.452 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' B' ' 13' ' ' LYS . 8.4 t70 69.46 3.18 4.05 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.361 -0.837 . . . . 0.0 110.707 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.59 ' O ' ' C ' ' B' ' 16' ' ' CLH . . . -87.79 8.12 78.84 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.86 -1.296 . . . . 0.0 109.86 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' CLH . . . . . 0.59 ' C ' ' O ' ' B' ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ABA . . . . . 0.529 ' HB2' ' HA ' ' B' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.421 ' HA ' ' OE1' ' B' ' 18' ' ' GLN . 1.2 tp-100 174.79 -169.82 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.323 -0.861 . . . . 0.0 110.437 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.651 HG21 ' CE2' ' B' ' 8' ' ' TYR . 16.2 m -138.43 114.68 10.28 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.441 -0.787 . . . . 0.0 109.795 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.536 ' CD2' ' HB2' ' B' ' 7' ' ' ARG . 5.8 m-85 -89.79 134.3 34.26 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.241 -0.912 . . . . 0.0 110.5 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.599 ' O ' HG13 ' B' ' 21' ' ' VAL . 7.3 p -150.68 121.41 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.318 -0.864 . . . . 0.0 110.107 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' TYR . . . . . 0.661 ' O ' HD11 ' B' ' 5' ' ' ILE . 23.4 p90 -176.45 103.49 0.06 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.042 -1.036 . . . . 0.0 110.171 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.15 161.4 54.35 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.863 -1.295 . . . . 0.0 109.863 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.88 92.88 0.09 OUTLIER Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -90.02 -23.33 21.51 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.31 -1.112 . . . . 0.0 110.389 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.314 0 O-C-N 119.943 -1.723 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MPT . . . . . 0.452 ' O ' ' HB2' ' A' ' 2' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.452 ' HB2' ' O ' ' A' ' 1' ' ' MPT . 20.3 mttp 56.89 47.2 18.29 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.23 -0.919 . . . . 0.0 110.027 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.54 ' O ' ' C ' ' A' ' 4' ' ' CLG . . . -110.37 64.18 0.61 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.328 -0.858 . . . . 0.0 110.08 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CLG . . . . . 0.54 ' C ' ' O ' ' A' ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.591 HG22 ' HE1' ' A' ' 22' ' ' TYR . 20.4 tt -93.64 174.73 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.267 -0.896 . . . . 0.0 110.328 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.893 ' HA ' HG22 ' A' ' 21' ' ' VAL . 77.9 mt -136.42 72.84 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.28 -0.888 . . . . 0.0 110.364 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.602 ' HG2' ' CE2' ' A' ' 9' ' ' PHE . 38.5 ttt-85 -59.22 81.52 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.154 -0.966 . . . . 0.0 109.954 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.577 ' O ' ' CD1' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -116.97 148.71 41.18 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.189 -0.944 . . . . 0.0 109.942 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.602 ' CE2' ' HG2' ' A' ' 7' ' ' ARG . 43.1 m-85 -143.28 53.81 1.35 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.16 -0.962 . . . . 0.0 110.926 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.578 ' CZ ' ' OD1' ' A' ' 11' ' ' ASN . 24.1 t80 58.97 175.43 0.07 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.234 -0.916 . . . . 0.0 111.003 179.141 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.753 ' HB3' ' HN2' ' A' ' 17' ' ' ABA . 20.1 p-10 -90.89 -33.55 15.59 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.586 -0.697 . . . . 0.0 112.062 -178.095 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.542 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . . . -29.2 -51.02 0.1 Allowed 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.753 -0.592 . . . . 0.0 111.955 -178.695 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.432 ' HE2' ' NE2' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -44.06 -85.2 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.029 -1.044 . . . . 0.0 110.17 -179.831 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.617 ' O ' HD23 ' A' ' 16' ' ' LEU . 1.8 m-20 -85.28 7.12 23.37 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.381 -0.825 . . . . 0.0 109.509 179.44 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.599 ' N ' ' O ' ' A' ' 11' ' ' ASN . . . 88.46 -18.85 39.52 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.899 -1.28 . . . . 0.0 109.899 -179.493 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.912 HD12 ' CD1' ' B' ' 9' ' ' PHE . 0.2 OUTLIER -121.83 127.13 50.2 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.071 -1.252 . . . . 0.0 110.261 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ABA . . . . . 0.753 ' HN2' ' HB3' ' A' ' 11' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.512 ' O ' ' HA ' ' A' ' 8' ' ' TYR . 1.9 mt-30 -78.39 137.56 38.07 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.234 -0.916 . . . . 0.0 110.032 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.481 ' OG1' ' HB2' ' A' ' 8' ' ' TYR . 17.4 m -152.7 91.17 1.53 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.3 -0.875 . . . . 0.0 110.359 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.575 ' CD1' ' HD3' ' B' ' 7' ' ' ARG . 5.4 t80 -89.67 126.39 35.62 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.278 -0.889 . . . . 0.0 110.086 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.893 HG22 ' HA ' ' A' ' 6' ' ' ILE . 75.6 t -139.15 159.22 29.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.216 -0.927 . . . . 0.0 110.512 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.609 ' CG ' ' O ' ' A' ' 22' ' ' TYR . 3.3 p90 -155.44 110.34 2.97 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.247 -0.908 . . . . 0.0 109.956 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.479 ' O ' ' HB2' ' B' ' 4' ' ' ARG . . . -110.55 116.89 4.48 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.667 -1.373 . . . . 0.0 109.667 -179.436 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.467 ' O ' ' HG2' ' B' ' 4' ' ' ARG . . . 143.83 57.92 0.02 OUTLIER Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.785 -1.326 . . . . 0.0 109.785 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 17.5 t -92.0 107.43 19.2 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.254 -1.145 . . . . 0.0 110.209 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.331 0 O-C-N 119.861 -1.774 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MPT . . . . . 0.453 ' HA2' ' CB ' ' B' ' 25' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.45 ' O ' ' O ' ' B' ' 3' ' ' ALA . 3.8 tppt? -125.4 -121.44 0.26 Allowed 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.208 -0.932 . . . . 0.0 109.504 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.45 ' O ' ' O ' ' B' ' 2' ' ' LYS . . . -44.53 170.28 0.01 OUTLIER 'General case' 0 C--N 1.285 -2.227 0 O-C-N 121.6 -0.687 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.482 ' CD ' ' N ' ' B' ' 4' ' ' ARG . 0.0 OUTLIER -155.15 39.81 0.41 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.326 -0.859 . . . . 0.0 110.058 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.464 ' O ' HG23 ' B' ' 5' ' ' ILE . 3.6 tt -112.77 116.69 53.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.315 -0.866 . . . . 0.0 110.057 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.455 ' O ' ' O ' ' A' ' 21' ' ' VAL . 84.4 mt -116.75 125.4 73.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.157 -0.965 . . . . 0.0 110.476 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ARG . . . . . 0.575 ' HD3' ' CD1' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -88.04 105.14 17.28 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.25 -0.906 . . . . 0.0 110.071 179.758 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 8' ' ' TYR . . . . . 0.459 ' O ' ' O ' ' A' ' 19' ' ' THR . 1.7 m-85 -80.31 120.23 24.09 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.204 -0.935 . . . . 0.0 110.345 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' PHE . . . . . 0.912 ' CD1' HD12 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -118.95 37.21 4.18 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.262 -0.899 . . . . 0.0 109.973 179.888 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 10' ' ' TYR . . . . . 0.695 ' OH ' ' HG1' ' A' ' 17' ' ' ABA . 0.9 OUTLIER -51.54 122.29 7.79 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.406 -0.809 . . . . 0.0 110.368 -179.685 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ASN . . . . . 0.498 ' OD1' ' N ' ' B' ' 12' ' ' ALA . 28.2 t30 -100.83 171.76 7.47 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.273 -0.892 . . . . 0.0 110.233 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ALA . . . . . 0.498 ' N ' ' OD1' ' B' ' 11' ' ' ASN . . . -84.16 -155.65 0.2 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.255 -0.903 . . . . 0.0 110.2 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.19 -89.98 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.223 -0.923 . . . . 0.0 110.223 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' B' ' 12' ' ' ALA . 24.8 m-20 -147.18 13.07 1.09 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.16 -0.962 . . . . 0.0 110.289 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -102.31 31.94 8.12 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.444 -1.462 . . . . 0.0 109.444 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' CLH . . . . . 0.457 ' HG3' ' HB2' ' B' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ABA . . . . . 0.408 ' HB2' ' O ' ' B' ' 16' ' ' CLH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.536 ' CB ' ' HB3' ' B' ' 9' ' ' PHE . 4.8 mt-30 -114.1 59.63 0.67 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.119 -0.988 . . . . 0.0 109.975 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.497 ' HA ' ' O ' ' B' ' 7' ' ' ARG . 8.4 t -89.77 161.78 15.86 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.238 -0.914 . . . . 0.0 110.291 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.473 ' N ' ' CD1' ' B' ' 20' ' ' PHE . 14.3 m-85 -102.89 178.42 4.57 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.262 -0.899 . . . . 0.0 110.281 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.675 ' O ' HG23 ' B' ' 21' ' ' VAL . 35.6 m -132.57 84.01 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.22 -0.925 . . . . 0.0 110.243 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' TYR . . . . . 0.454 ' HB2' ' O ' ' B' ' 5' ' ' ILE . 56.2 m-85 -84.54 -32.45 23.85 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.294 -0.879 . . . . 0.0 110.131 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -101.35 -147.46 20.35 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.39 101.63 0.18 Allowed Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' CYS . . . . . 0.453 ' CB ' ' HA2' ' B' ' 1' ' ' MPT . 40.4 t -176.06 -35.51 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.184 -1.186 . . . . 0.0 110.294 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.303 0 O-C-N 119.829 -1.795 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.456 ' HE3' ' HD3' ' B' ' 2' ' ' LYS . 0.0 OUTLIER -119.33 56.21 0.93 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.264 -0.898 . . . . 0.0 110.326 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -110.41 -120.09 0.28 Allowed 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.241 -0.912 . . . . 0.0 109.583 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' CLG . . . . . 0.466 ' O ' ' HG2' ' A' ' 4' ' ' CLG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.669 HG23 ' N ' ' A' ' 6' ' ' ILE . 0.4 OUTLIER -52.35 -174.49 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.169 -0.957 . . . . 0.0 109.531 179.879 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.838 ' HA ' HG22 ' A' ' 21' ' ' VAL . 15.1 mt -155.5 116.07 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.106 -0.996 . . . . 0.0 110.659 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.2 128.39 55.05 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.408 -0.808 . . . . 0.0 109.597 179.439 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.813 ' HB3' HG23 ' A' ' 19' ' ' THR . 8.6 p90 -152.2 177.35 10.62 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.097 -1.002 . . . . 0.0 111.021 -179.546 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.977 ' O ' ' HG3' ' A' ' 17' ' ' ABA . 1.1 m-85 -134.16 -160.28 1.04 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.577 -0.702 . . . . 0.0 109.195 179.732 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -150.96 123.24 8.33 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.175 -0.953 . . . . 0.0 110.271 179.473 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.485 ' HB2' ' O ' ' A' ' 16' ' ' LEU . 1.7 m-20 -125.13 77.93 1.67 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.275 -0.891 . . . . 0.0 109.951 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.566 ' O ' ' N ' ' A' ' 14' ' ' ASP . . . -60.53 -135.84 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.299 -0.875 . . . . 0.0 109.913 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 22.4 mttp 66.32 -60.14 0.32 Allowed 'General case' 0 N--CA 1.495 1.806 0 CA-C-O 122.013 0.911 . . . . 0.0 109.062 -179.587 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.566 ' N ' ' O ' ' A' ' 12' ' ' ALA . 30.0 m-20 -113.47 3.13 15.65 Favored 'General case' 0 C--N 1.293 -1.848 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 178.332 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.42 72.12 0.86 Allowed Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.774 -1.331 . . . . 0.0 109.774 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.53 HD12 ' OD1' ' B' ' 11' ' ' ASN . 5.2 tt -150.2 120.59 7.37 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.183 -1.187 . . . . 0.0 110.19 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ABA . . . . . 0.977 ' HG3' ' O ' ' A' ' 9' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.453 ' O ' ' HB2' ' A' ' 8' ' ' TYR . 0.2 OUTLIER -91.86 149.95 21.31 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.141 -0.974 . . . . 0.0 110.208 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.813 HG23 ' HB3' ' A' ' 8' ' ' TYR . 50.6 m -148.89 83.41 1.45 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.241 -0.912 . . . . 0.0 110.012 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -89.35 134.52 34.04 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.275 -0.891 . . . . 0.0 110.08 -179.614 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.838 HG22 ' HA ' ' A' ' 6' ' ' ILE . 99.5 t -130.76 172.02 16.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.417 -0.802 . . . . 0.0 110.024 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.574 ' N ' HG12 ' A' ' 21' ' ' VAL . 10.3 t80 -166.58 135.56 2.95 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.329 -0.857 . . . . 0.0 110.059 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -77.93 147.16 31.71 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.615 -1.394 . . . . 0.0 109.615 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.61 130.76 5.44 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.1 m -121.26 160.32 24.14 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.182 -1.187 . . . . 0.0 110.356 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 120.018 -1.676 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.456 ' HD3' ' HE3' ' A' ' 2' ' ' LYS . 27.9 mttm -100.45 41.23 1.19 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.239 -0.913 . . . . 0.0 110.254 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -110.3 75.75 0.95 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.399 -0.813 . . . . 0.0 109.968 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 -119.19 125.07 48.33 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.243 -0.91 . . . . 0.0 110.365 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.926 ' O ' HG11 ' B' ' 21' ' ' VAL . 3.1 mt -113.38 170.54 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.32 -0.863 . . . . 0.0 109.948 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.545 ' N ' HG22 ' B' ' 5' ' ' ILE . 7.0 mm -139.29 127.74 27.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.223 -0.923 . . . . 0.0 110.31 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' ARG . . . . . 0.496 ' CB ' ' O ' ' B' ' 20' ' ' PHE . 0.0 OUTLIER -113.55 91.21 3.56 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.281 -0.887 . . . . 0.0 109.847 179.626 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 8' ' ' TYR . . . . . 0.634 ' CE1' ' CG2' ' B' ' 19' ' ' THR . 0.5 OUTLIER -98.69 139.13 34.86 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.382 -0.824 . . . . 0.0 110.288 -179.695 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 9' ' ' PHE . . . . . 0.641 ' HB3' ' NE2' ' B' ' 18' ' ' GLN . 46.2 t80 -150.49 98.06 2.6 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.158 -0.964 . . . . 0.0 110.164 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 10' ' ' TYR . . . . . 0.477 ' HB3' ' O ' ' A' ' 17' ' ' ABA . 16.9 t80 -66.35 135.25 54.09 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.22 -0.925 . . . . 0.0 110.31 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ASN . . . . . 0.53 ' OD1' HD12 ' A' ' 16' ' ' LEU . 33.0 t30 179.51 -162.72 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.507 -0.746 . . . . 0.0 109.497 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -91.14 -12.56 35.13 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.147 -0.971 . . . . 0.0 109.957 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.488 ' O ' ' CB ' ' B' ' 14' ' ' ASP . 23.9 tttt -63.58 140.93 58.92 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.426 -0.796 . . . . 0.0 110.479 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' B' ' 13' ' ' LYS . 0.2 OUTLIER 70.11 1.89 3.71 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.282 -0.886 . . . . 0.0 110.559 179.819 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.34 -50.34 3.74 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' CLH . . . . . 0.674 ' O ' ' HG2' ' B' ' 17' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ABA . . . . . 0.674 ' HG2' ' O ' ' B' ' 16' ' ' CLH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.641 ' NE2' ' HB3' ' B' ' 9' ' ' PHE . 0.1 OUTLIER -148.12 147.58 29.65 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.386 -0.821 . . . . 0.0 109.782 -179.904 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.634 ' CG2' ' CE1' ' B' ' 8' ' ' TYR . 20.5 m -160.6 97.43 1.2 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.961 -1.087 . . . . 0.0 110.858 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.582 ' CD1' ' O ' ' B' ' 20' ' ' PHE . 28.3 p90 -150.19 134.12 16.9 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.298 -0.876 . . . . 0.0 109.882 179.274 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.926 HG11 ' O ' ' B' ' 5' ' ' ILE . 11.0 p -150.13 173.19 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.264 -0.898 . . . . 0.0 110.491 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 22' ' ' TYR . . . . . 0.592 ' N ' HG22 ' B' ' 21' ' ' VAL . 10.0 t80 -78.63 97.05 5.67 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.324 -0.86 . . . . 0.0 109.911 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.85 154.64 53.07 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -106.19 -78.63 1.18 Allowed Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 27.8 p -148.19 62.24 1.11 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.317 -1.107 . . . . 0.0 110.176 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 119.817 -1.802 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MPT . . . . . 0.482 ' O ' ' HB2' ' B' ' 4' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.543 ' N ' ' HA3' ' A' ' 23' ' ' GLY . 6.0 mmtm -115.06 -116.52 0.33 Allowed 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.271 -0.893 . . . . 0.0 110.529 -179.701 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.581 ' O ' ' N ' ' A' ' 5' ' ' ILE . . . -111.85 80.03 1.28 Allowed 'General case' 0 C--N 1.287 -2.139 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' CLG . . . . . 0.556 ' HB3' ' HA2' ' A' ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.581 ' N ' ' O ' ' A' ' 3' ' ' ALA . 21.6 mm 59.91 155.27 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 120.76 -1.213 . . . . 0.0 110.341 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.919 HD11 ' CE1' ' A' ' 8' ' ' TYR . 1.5 tt -98.5 131.88 44.74 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.203 -0.936 . . . . 0.0 110.136 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.443 ' O ' ' HA ' ' A' ' 19' ' ' THR . 0.6 OUTLIER -110.86 102.81 11.29 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.173 -0.954 . . . . 0.0 110.151 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.919 ' CE1' HD11 ' A' ' 6' ' ' ILE . 4.8 m-85 -114.16 132.93 55.91 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.296 -0.878 . . . . 0.0 110.189 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.467 ' O ' ' HA ' ' A' ' 17' ' ' ABA . 48.0 m-85 -146.99 68.74 1.16 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.234 -0.916 . . . . 0.0 110.207 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -62.56 82.86 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.244 -0.91 . . . . 0.0 110.216 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.473 ' O ' ' N ' ' A' ' 15' ' ' GLY . 1.0 OUTLIER -85.91 81.71 8.43 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.241 -0.912 . . . . 0.0 110.172 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.99 -38.28 72.83 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.285 -0.884 . . . . 0.0 110.221 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.414 ' HG2' ' N ' ' A' ' 14' ' ' ASP . 33.6 ttmt -49.17 -81.09 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.166 -0.959 . . . . 0.0 109.415 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.414 ' N ' ' HG2' ' A' ' 13' ' ' LYS . 30.6 t0 -73.59 -2.88 24.74 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.225 -0.922 . . . . 0.0 109.445 178.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 11' ' ' ASN . . . 61.55 73.45 0.5 Allowed Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 1.005 HD11 ' ND2' ' B' ' 11' ' ' ASN . 0.2 OUTLIER -147.96 69.09 1.11 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.266 -1.138 . . . . 0.0 110.207 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ABA . . . . . 0.467 ' HA ' ' O ' ' A' ' 9' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.589 ' CG ' HD23 ' A' ' 16' ' ' LEU . 1.7 mt-30 -63.12 139.11 58.74 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.233 -0.917 . . . . 0.0 110.259 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.754 HG21 ' CE2' ' B' ' 8' ' ' TYR . 2.6 m -140.29 81.06 1.79 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.268 -0.895 . . . . 0.0 110.284 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.598 ' CE1' ' HB3' ' B' ' 9' ' ' PHE . 60.6 m-85 -102.76 120.05 39.91 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.285 -0.884 . . . . 0.0 110.11 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.535 ' O ' ' CG2' ' B' ' 6' ' ' ILE . 5.5 t -146.52 100.07 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.132 -0.98 . . . . 0.0 109.971 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.638 ' CD1' ' HA ' ' B' ' 5' ' ' ILE . 15.6 p90 -179.17 137.36 0.14 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.274 -0.891 . . . . 0.0 110.108 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.556 ' HA2' ' HB3' ' A' ' 4' ' ' CLG . . . -43.25 128.72 5.67 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.759 -1.336 . . . . 0.0 109.759 -179.353 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.475 ' HA3' ' CD ' ' A' ' 4' ' ' CLG . . . -108.11 43.58 1.67 Allowed Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.6 p -127.66 25.38 6.04 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.237 -1.155 . . . . 0.0 110.216 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.331 0 O-C-N 119.823 -1.798 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MPT . . . . . 0.422 ' C ' ' HG2' ' B' ' 2' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.422 ' HG2' ' C ' ' B' ' 1' ' ' MPT . 13.5 mmtt -126.79 -121.76 0.25 Allowed 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.222 -0.924 . . . . 0.0 109.498 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.481 ' O ' ' HA2' ' B' ' 23' ' ' GLY . . . -81.34 -157.71 0.19 Allowed 'General case' 0 C--N 1.285 -2.213 0 CA-C-O 121.339 0.59 . . . . 0.0 110.229 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.482 ' HB2' ' O ' ' A' ' 1' ' ' MPT . 30.0 mmt-85 -128.14 57.98 1.54 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.358 -0.839 . . . . 0.0 110.345 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.762 HD12 ' O ' ' B' ' 5' ' ' ILE . 0.9 OUTLIER -126.26 46.76 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.331 -0.856 . . . . 0.0 110.105 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.535 ' CG2' ' O ' ' A' ' 21' ' ' VAL . 6.5 tp -89.53 131.24 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.052 -1.03 . . . . 0.0 111.136 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' ARG . . . . . 0.606 ' O ' ' CD1' ' B' ' 20' ' ' PHE . 8.8 ptt-85 -160.94 120.36 2.63 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.515 -0.741 . . . . 0.0 110.105 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' TYR . . . . . 0.821 ' HB3' HG23 ' B' ' 19' ' ' THR . 1.2 p90 -132.18 148.67 52.48 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.952 -1.093 . . . . 0.0 110.374 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' PHE . . . . . 0.598 ' HB3' ' CE1' ' A' ' 20' ' ' PHE . 13.5 p90 -150.17 129.27 12.69 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.292 -0.88 . . . . 0.0 110.449 -179.538 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 10' ' ' TYR . . . . . 0.428 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 5.4 t80 -89.42 158.32 17.79 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.381 -0.825 . . . . 0.0 110.177 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ASN . . . . . 1.005 ' ND2' HD11 ' A' ' 16' ' ' LEU . 0.9 OUTLIER -148.52 179.7 7.61 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.281 -0.887 . . . . 0.0 110.126 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' B' ' 14' ' ' ASP . . . -42.75 130.58 4.15 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.283 -0.886 . . . . 0.0 110.256 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.472 ' O ' ' HB2' ' B' ' 14' ' ' ASP . 0.1 OUTLIER -64.9 65.33 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.35 -0.844 . . . . 0.0 110.258 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.521 ' N ' ' O ' ' B' ' 12' ' ' ALA . 2.6 t70 172.96 -28.76 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.388 -0.82 . . . . 0.0 109.822 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -94.28 -57.76 1.26 Allowed Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' CLH . . . . . 0.679 ' C ' ' HG2' ' B' ' 17' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ABA . . . . . 0.679 ' HG2' ' C ' ' B' ' 16' ' ' CLH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.42 168.14 1.84 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.132 -0.98 . . . . 0.0 110.839 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.821 HG23 ' HB3' ' B' ' 8' ' ' TYR . 1.8 m -130.14 143.55 50.85 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.503 -0.748 . . . . 0.0 109.735 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.606 ' CD1' ' O ' ' B' ' 7' ' ' ARG . 5.5 m-85 -89.66 156.72 18.38 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.175 -0.953 . . . . 0.0 109.858 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.62 ' O ' HG23 ' B' ' 21' ' ' VAL . 30.3 m -136.55 103.82 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.197 -0.939 . . . . 0.0 110.274 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 22' ' ' TYR . . . . . 0.569 ' CG ' ' O ' ' B' ' 21' ' ' VAL . 2.7 m-85 -172.53 -33.57 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.209 -0.932 . . . . 0.0 110.285 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.483 ' CA ' ' HB ' ' B' ' 6' ' ' ILE . . . -100.41 -12.87 37.29 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' GLY . . . . . 0.495 ' N ' ' HB ' ' B' ' 6' ' ' ILE . . . -91.99 -103.04 1.41 Allowed Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.616 -1.394 . . . . 0.0 109.616 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -178.88 -147.22 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.204 -1.174 . . . . 0.0 110.211 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.358 0 O-C-N 119.834 -1.791 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MPT . . . . . 0.465 ' HA1' ' HB2' ' A' ' 25' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.931 ' HG3' HD12 ' A' ' 5' ' ' ILE . 0.4 OUTLIER 55.68 69.79 0.7 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.162 -0.961 . . . . 0.0 110.259 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.524 ' O ' ' CB ' ' A' ' 4' ' ' CLG . . . -105.77 25.53 10.72 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.111 -0.993 . . . . 0.0 110.218 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' CLG . . . . . 0.565 ' NJ ' ' NH2' ' A' ' 7' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.931 HD12 ' HG3' ' A' ' 2' ' ' LYS . 5.8 mt -69.04 174.17 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.441 -0.787 . . . . 0.0 110.234 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.815 ' H ' HG23 ' A' ' 21' ' ' VAL . 2.6 tt 39.66 45.41 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.533 -0.729 . . . . 0.0 110.684 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.565 ' NH2' ' NJ ' ' A' ' 4' ' ' CLG . 1.2 mtp180 -74.26 77.2 1.82 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.325 -0.859 . . . . 0.0 109.947 179.447 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.557 ' O ' ' CD1' ' A' ' 9' ' ' PHE . 32.4 p90 -107.46 166.87 10.34 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.231 -0.918 . . . . 0.0 110.367 -179.726 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.763 ' O ' ' HG2' ' A' ' 17' ' ' ABA . 43.8 m-85 -149.95 -166.7 2.62 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.324 -0.86 . . . . 0.0 110.051 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.41 ' HD1' ' HG3' ' A' ' 17' ' ' ABA . 73.7 t80 -131.81 127.3 36.35 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.27 -0.894 . . . . 0.0 110.231 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 15' ' ' GLY . 1.2 m120 -123.23 91.77 3.55 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.255 -0.903 . . . . 0.0 110.187 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.15 -35.5 75.46 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.266 -0.896 . . . . 0.0 110.215 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.8 -69.49 0.11 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.274 -0.891 . . . . 0.0 109.337 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -79.34 -4.44 50.9 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.462 -0.774 . . . . 0.0 109.334 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 11' ' ' ASN . . . 56.67 59.51 10.66 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.667 -1.373 . . . . 0.0 109.667 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 1.103 HD22 ' N ' ' A' ' 17' ' ' ABA . 0.1 OUTLIER -150.2 129.92 13.21 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.28 -1.129 . . . . 0.0 110.273 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ABA . . . . . 1.103 ' N ' HD22 ' A' ' 16' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.603 ' HG3' ' CZ ' ' B' ' 9' ' ' PHE . 0.0 OUTLIER -40.29 139.47 0.74 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.323 -0.86 . . . . 0.0 110.993 -179.436 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.476 ' HB ' ' HB2' ' B' ' 8' ' ' TYR . 25.0 m -123.68 64.97 1.03 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.513 -0.742 . . . . 0.0 109.688 179.441 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.644 ' CE1' ' CB ' ' A' ' 22' ' ' TYR . 0.9 OUTLIER -89.7 116.67 27.99 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.403 -0.81 . . . . 0.0 110.243 -179.527 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.815 HG23 ' H ' ' A' ' 6' ' ' ILE . 7.3 p -102.08 99.92 9.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.094 -1.004 . . . . 0.0 109.809 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.644 ' CB ' ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -147.76 112.23 5.29 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.301 -0.874 . . . . 0.0 109.801 -179.389 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.855 ' H ' HD12 ' B' ' 5' ' ' ILE . . . -110.26 -82.54 1.33 Allowed Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.484 ' O ' ' HB2' ' A' ' 3' ' ' ALA . . . 112.62 152.89 11.57 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.745 -1.342 . . . . 0.0 109.745 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.465 ' HB2' ' HA1' ' A' ' 1' ' ' MPT . 18.6 t -113.28 141.41 47.04 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.303 -1.116 . . . . 0.0 110.149 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.34 0 O-C-N 119.849 -1.782 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MPT . . . . . 0.454 ' O ' ' HB2' ' B' ' 2' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' B' ' 1' ' ' MPT . 5.7 mmtp 57.06 77.97 0.24 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.468 -0.77 . . . . 0.0 110.581 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.462 ' O ' ' HA2' ' A' ' 24' ' ' GLY . . . -46.11 127.3 8.45 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.191 -0.943 . . . . 0.0 110.025 179.75 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.632 ' O ' ' CB ' ' B' ' 5' ' ' ILE . 4.6 mpt_? -71.54 -81.77 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.25 -0.906 . . . . 0.0 110.763 -179.554 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.855 HD12 ' H ' ' A' ' 23' ' ' GLY . 54.0 mt 109.54 167.41 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.514 2.764 0 C-N-CA 124.256 1.023 . . . . 0.0 109.578 -179.583 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.648 HG21 ' CE1' ' B' ' 8' ' ' TYR . 4.6 mt -58.94 160.72 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 CA-C-O 122.113 0.959 . . . . 0.0 112.32 -178.429 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' ARG . . . . . 0.597 ' HD3' ' CZ ' ' A' ' 20' ' ' PHE . 24.5 ttp85 -139.53 113.11 8.45 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.531 -0.73 . . . . 0.0 109.715 179.13 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' TYR . . . . . 0.648 ' CE1' HG21 ' B' ' 6' ' ' ILE . 36.9 m-85 -98.72 146.4 25.93 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.443 -0.786 . . . . 0.0 109.96 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 9' ' ' PHE . . . . . 0.636 ' CZ ' ' CH ' ' B' ' 16' ' ' CLH . 0.4 OUTLIER -140.52 53.79 1.61 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.188 -0.945 . . . . 0.0 110.502 -179.784 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 10' ' ' TYR . . . . . 0.585 ' O ' ' HB2' ' B' ' 11' ' ' ASN . 31.9 t80 -53.75 -171.98 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.176 -0.953 . . . . 0.0 108.718 179.084 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ASN . . . . . 0.591 ' HA ' HD23 ' A' ' 16' ' ' LEU . 19.0 t-20 172.64 146.23 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.429 -0.795 . . . . 0.0 109.642 179.283 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' B' ' 13' ' ' LYS . . . -91.3 -89.61 0.17 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.096 -1.003 . . . . 0.0 110.707 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' B' ' 12' ' ' ALA . 51.3 tttt -34.47 -79.41 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.653 -0.654 . . . . 0.0 111.974 -179.203 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.522 ' OD2' ' ND2' ' B' ' 11' ' ' ASN . 6.4 p-10 -72.33 -32.28 66.39 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.887 -1.133 . . . . 0.0 110.973 -179.034 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.492 ' HA2' ' O ' ' B' ' 11' ' ' ASN . . . 71.03 38.46 63.89 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.647 -1.381 . . . . 0.0 109.647 -179.666 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' CLH . . . . . 0.636 ' CH ' ' CZ ' ' B' ' 9' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ABA . . . . . 0.427 ' HA ' ' O ' ' B' ' 9' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.447 ' HB2' ' HB3' ' B' ' 9' ' ' PHE . 0.0 OUTLIER 174.89 135.8 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.337 -0.852 . . . . 0.0 110.28 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.51 ' HA ' ' O ' ' B' ' 7' ' ' ARG . 29.6 m -136.05 136.71 40.45 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.25 -0.906 . . . . 0.0 110.037 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.558 ' CE1' ' NH2' ' B' ' 7' ' ' ARG . 7.8 m-85 -113.71 -165.38 1.0 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.111 -0.993 . . . . 0.0 110.432 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.522 HG12 ' H ' ' B' ' 22' ' ' TYR . 11.2 t -121.17 176.53 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.31 -0.869 . . . . 0.0 109.87 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 22' ' ' TYR . . . . . 0.597 ' CZ ' HG12 ' B' ' 5' ' ' ILE . 0.2 OUTLIER -68.08 178.55 1.8 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.029 -1.044 . . . . 0.0 109.911 179.901 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.606 ' HA2' ' HB2' ' B' ' 4' ' ' ARG . . . -61.2 -118.98 0.01 OUTLIER Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -172.49 -39.51 0.04 OUTLIER Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 14.1 t -64.96 110.53 2.49 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.346 -1.09 . . . . 0.0 110.158 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 119.87 -1.769 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -138.29 46.27 2.04 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.244 -0.91 . . . . 0.0 110.298 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -110.12 60.6 0.6 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.263 -0.898 . . . . 0.0 110.167 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' CLG . . . . . 0.443 ' O ' HG12 ' A' ' 6' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.418 ' HA ' HD13 ' A' ' 5' ' ' ILE . 31.8 mm -65.26 102.25 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.176 -0.953 . . . . 0.0 109.949 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.527 ' HA ' HG22 ' A' ' 21' ' ' VAL . 41.4 mm -87.63 96.69 5.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.31 -0.869 . . . . 0.0 110.462 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -110.58 124.79 52.53 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.266 -0.896 . . . . 0.0 109.924 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.498 ' O ' ' CD1' ' A' ' 9' ' ' PHE . 29.2 p90 -136.92 173.21 11.94 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.112 -0.993 . . . . 0.0 110.575 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.498 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 19.1 m-85 -137.75 95.46 3.05 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.422 -0.799 . . . . 0.0 109.917 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.509 ' HA ' ' CG ' ' A' ' 17' ' ' ABA . 0.5 OUTLIER -41.81 116.66 0.82 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.303 -0.873 . . . . 0.0 110.49 -179.803 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.47 ' O ' ' O ' ' A' ' 12' ' ' ALA . 0.7 OUTLIER -114.21 83.61 1.9 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.313 -0.867 . . . . 0.0 109.992 179.777 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.525 ' O ' ' N ' ' A' ' 14' ' ' ASP . . . -60.31 -136.56 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.279 -0.888 . . . . 0.0 110.168 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.471 ' CB ' ' O ' ' A' ' 12' ' ' ALA . 12.6 tttt 67.87 -59.74 0.42 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.252 -0.905 . . . . 0.0 108.858 -179.362 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.525 ' N ' ' O ' ' A' ' 12' ' ' ALA . 24.0 p30 -121.74 9.11 10.06 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 108.369 -0.975 . . . . 0.0 108.369 178.325 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.71 52.5 52.63 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.656 HD21 ' HZ ' ' B' ' 9' ' ' PHE . 2.0 tp -121.73 92.33 3.71 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.192 -1.181 . . . . 0.0 110.031 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ABA . . . . . 0.509 ' CG ' ' HA ' ' A' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.479 ' HG2' ' CE1' ' B' ' 9' ' ' PHE . 2.5 mt-30 -110.96 128.56 55.87 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.295 -0.878 . . . . 0.0 110.001 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.469 ' HB ' ' O ' ' B' ' 8' ' ' TYR . 69.1 m -127.5 101.9 6.63 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.144 -0.973 . . . . 0.0 110.488 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -94.71 130.37 41.24 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.282 -0.886 . . . . 0.0 109.949 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.565 HG21 ' CD2' ' B' ' 8' ' ' TYR . 25.4 t -119.99 167.84 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.208 -0.933 . . . . 0.0 110.446 -179.755 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.593 ' CE1' HG12 ' B' ' 5' ' ' ILE . 81.8 t80 -151.76 78.31 1.25 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.351 -0.843 . . . . 0.0 109.922 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.464 ' O ' ' O ' ' B' ' 4' ' ' ARG . . . -110.22 -118.83 3.99 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.861 -1.296 . . . . 0.0 109.861 -179.556 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.525 ' HA3' ' HB2' ' B' ' 4' ' ' ARG . . . 156.58 39.13 0.02 OUTLIER Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.436 -1.466 . . . . 0.0 109.436 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.9 t -157.8 51.27 0.44 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.286 -1.126 . . . . 0.0 110.278 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 119.85 -1.781 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.35 65.57 1.36 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.253 -0.905 . . . . 0.0 110.168 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.457 ' O ' ' HB3' ' B' ' 4' ' ' ARG . . . -93.68 78.45 4.27 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.292 -0.88 . . . . 0.0 110.19 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.525 ' HB2' ' HA3' ' A' ' 24' ' ' GLY . 0.1 OUTLIER -177.72 33.14 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.338 -0.851 . . . . 0.0 110.194 -179.854 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.593 HG12 ' CE1' ' A' ' 22' ' ' TYR . 19.8 mt -109.05 120.34 60.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.245 -0.909 . . . . 0.0 110.505 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.67 HD12 ' OH ' ' B' ' 8' ' ' TYR . 10.8 pt -118.54 160.89 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.307 -0.87 . . . . 0.0 109.611 179.459 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 7' ' ' ARG . . . . . 0.559 ' HD2' ' CE1' ' B' ' 20' ' ' PHE . 0.1 OUTLIER -145.95 145.57 30.71 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.075 -1.015 . . . . 0.0 110.742 -179.581 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 8' ' ' TYR . . . . . 0.847 ' CD1' HG23 ' B' ' 19' ' ' THR . 18.6 m-85 -123.28 61.46 1.04 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.472 -0.768 . . . . 0.0 109.603 179.508 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' PHE . . . . . 0.656 ' HZ ' HD21 ' A' ' 16' ' ' LEU . 3.1 t80 -89.65 101.26 13.95 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.353 -0.842 . . . . 0.0 110.557 -179.595 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 10' ' ' TYR . . . . . 0.64 ' HA ' ' CB ' ' B' ' 17' ' ' ABA . 3.6 p90 -114.99 -156.9 0.62 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.329 -0.857 . . . . 0.0 109.561 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ASN . . . . . 0.562 ' N ' ' HB2' ' B' ' 17' ' ' ABA . 12.5 p30 -122.85 -168.19 1.71 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.053 -1.029 . . . . 0.0 110.059 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ALA . . . . . 0.533 ' O ' ' C ' ' B' ' 13' ' ' LYS . . . -90.58 -57.2 2.91 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.226 -0.922 . . . . 0.0 110.598 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.533 ' C ' ' O ' ' B' ' 12' ' ' ALA . 0.5 OUTLIER -20.22 -68.19 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.144 0 CA-C-O 121.108 0.48 . . . . 0.0 112.136 -179.383 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -120.23 -6.55 9.89 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.009 -1.057 . . . . 0.0 110.442 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.48 ' HA2' ' O ' ' B' ' 11' ' ' ASN . . . 83.34 38.95 10.28 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.693 -1.363 . . . . 0.0 109.693 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' CLH . . . . . 0.556 ' CA ' ' HB2' ' B' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ABA . . . . . 0.64 ' CB ' ' HA ' ' B' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.519 ' N ' ' O ' ' B' ' 9' ' ' PHE . 0.9 OUTLIER -160.7 68.93 0.36 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.002 -1.062 . . . . 0.0 110.478 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.847 HG23 ' CD1' ' B' ' 8' ' ' TYR . 82.3 m -114.52 100.81 8.57 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.182 -0.949 . . . . 0.0 110.338 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.596 ' N ' ' CD1' ' B' ' 20' ' ' PHE . 11.4 p90 -150.26 -163.64 1.83 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.315 -0.866 . . . . 0.0 110.278 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.525 HG23 HG22 ' B' ' 6' ' ' ILE . 7.5 p -103.5 152.66 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.262 -0.899 . . . . 0.0 110.099 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 22' ' ' TYR . . . . . 0.445 ' HB3' ' O ' ' B' ' 5' ' ' ILE . 22.2 t80 -141.58 75.2 1.49 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.142 -0.974 . . . . 0.0 110.206 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.73 -56.33 23.48 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 109.717 -1.353 . . . . 0.0 109.717 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.98 -43.68 1.6 Allowed Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.476 -1.45 . . . . 0.0 109.476 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 73.8 m -95.53 -157.74 0.6 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.289 -1.124 . . . . 0.0 110.183 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.34 0 O-C-N 119.819 -1.801 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MPT . . . . . 0.534 ' O ' ' CG ' ' A' ' 2' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.534 ' CG ' ' O ' ' A' ' 1' ' ' MPT . 18.8 pttp 37.37 46.52 0.63 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.665 -0.647 . . . . 0.0 110.77 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -105.33 52.46 0.74 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.214 -0.929 . . . . 0.0 110.236 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' CLG . . . . . 0.716 HNM1 ' HD3' ' A' ' 7' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.585 HG23 ' O ' ' A' ' 5' ' ' ILE . 2.5 tt -179.56 70.61 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.315 -0.865 . . . . 0.0 110.117 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.623 ' H ' HD12 ' A' ' 6' ' ' ILE . 1.5 mp -93.38 46.32 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.158 -0.964 . . . . 0.0 110.159 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.716 ' HD3' HNM1 ' A' ' 4' ' ' CLG . 52.1 mtm180 -43.27 104.54 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.229 -0.92 . . . . 0.0 109.901 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.599 ' CE2' HG23 ' A' ' 19' ' ' THR . 0.2 OUTLIER -120.03 65.34 0.82 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.153 -0.967 . . . . 0.0 110.584 -179.772 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.497 ' O ' ' HA ' ' A' ' 17' ' ' ABA . 12.5 m-85 -89.77 108.42 19.68 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.182 -0.949 . . . . 0.0 109.415 179.46 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.558 ' HD2' ' HB2' ' A' ' 12' ' ' ALA . 20.9 t80 -42.98 168.2 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.269 -0.894 . . . . 0.0 110.628 -179.147 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.576 ' O ' ' N ' ' A' ' 15' ' ' GLY . 25.5 p30 -97.99 14.05 28.71 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.301 -0.874 . . . . 0.0 111.526 -179.333 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.718 ' O ' ' N ' ' A' ' 14' ' ' ASP . . . -49.43 146.26 4.1 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 120.855 -1.153 . . . . 0.0 110.718 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 47.98 -64.72 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.128 0 CA-C-O 121.921 0.867 . . . . 0.0 111.756 178.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.718 ' N ' ' O ' ' A' ' 12' ' ' ALA . 10.1 m-20 -66.92 -8.28 28.22 Favored 'General case' 0 C--N 1.285 -2.207 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.52 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.576 ' N ' ' O ' ' A' ' 11' ' ' ASN . . . 52.25 32.24 36.15 Favored Glycine 0 N--CA 1.495 2.613 0 C-N-CA 119.155 -1.497 . . . . 0.0 109.499 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.951 ' O ' HD23 ' A' ' 16' ' ' LEU . 1.4 tt -123.17 101.86 7.63 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.081 -1.246 . . . . 0.0 111.084 -179.151 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ABA . . . . . 0.56 ' N ' ' HB3' ' A' ' 11' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.509 ' O ' ' HA ' ' A' ' 8' ' ' TYR . 30.3 mt-30 -50.03 121.28 5.22 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.42 -0.8 . . . . 0.0 110.571 -179.277 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.599 HG23 ' CE2' ' A' ' 8' ' ' TYR . 15.9 m -132.57 86.17 2.3 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.567 -0.708 . . . . 0.0 109.328 179.496 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.623 ' CD2' ' NE ' ' B' ' 7' ' ' ARG . 9.0 m-85 -89.4 156.16 18.86 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.316 -0.865 . . . . 0.0 110.292 -179.258 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.542 ' HB ' ' CG1' ' B' ' 6' ' ' ILE . 17.5 t -149.98 26.09 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.342 -0.849 . . . . 0.0 109.972 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.477 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 1.7 t80 -70.46 99.7 1.65 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.345 -0.847 . . . . 0.0 110.149 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -110.26 -119.63 4.07 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 52.1 -147.36 12.78 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.435 -1.466 . . . . 0.0 109.435 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 37.8 t -176.46 -74.12 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.198 -1.178 . . . . 0.0 110.321 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.33 0 O-C-N 119.908 -1.745 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MPT . . . . . 0.451 ' O ' ' SG ' ' B' ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm 45.99 79.43 0.05 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.219 -0.926 . . . . 0.0 110.192 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.561 ' HB1' ' HA3' ' B' ' 23' ' ' GLY . . . -109.89 151.0 27.61 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.277 -0.89 . . . . 0.0 110.285 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -176.69 57.91 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.106 -0.996 . . . . 0.0 110.766 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.732 HD13 ' C ' ' B' ' 5' ' ' ILE . 0.0 OUTLIER -171.34 131.3 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.152 -0.967 . . . . 0.0 110.089 179.561 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.775 HD12 ' HE1' ' B' ' 8' ' ' TYR . 40.5 pt -156.18 -175.08 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.372 -0.83 . . . . 0.0 109.931 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 7' ' ' ARG . . . . . 0.635 ' O ' HG23 ' B' ' 19' ' ' THR . 22.8 ttm180 -166.37 161.61 16.6 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.17 -0.956 . . . . 0.0 110.242 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 8' ' ' TYR . . . . . 0.775 ' HE1' HD12 ' B' ' 6' ' ' ILE . 65.2 m-85 -151.53 38.69 0.63 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.23 -0.918 . . . . 0.0 110.017 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 9' ' ' PHE . . . . . 0.584 ' CG ' ' O ' ' B' ' 9' ' ' PHE . 1.1 p90 -94.57 119.64 33.56 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.238 -0.914 . . . . 0.0 109.966 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -116.25 16.66 15.82 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.125 -0.984 . . . . 0.0 110.366 -179.632 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ASN . . . . . 0.889 ' CB ' HD12 ' A' ' 16' ' ' LEU . 3.5 t-20 -50.69 103.97 0.07 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.172 -0.955 . . . . 0.0 110.144 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' B' ' 11' ' ' ASN . . . -41.73 -66.36 0.35 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.236 -0.915 . . . . 0.0 110.499 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.482 ' HB2' ' OD1' ' B' ' 11' ' ' ASN . 20.8 tptt 50.72 -140.4 0.84 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.222 -0.924 . . . . 0.0 110.109 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' B' ' 14' ' ' ASP . 45.6 p-10 -93.79 0.66 56.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.152 -0.968 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.773 ' O ' ' HG2' ' B' ' 17' ' ' ABA . . . 158.13 -55.37 0.37 Allowed Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.643 -1.383 . . . . 0.0 109.643 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 16' ' ' CLH . . . . . 0.512 ' C ' ' O ' ' B' ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ABA . . . . . 0.773 ' HG2' ' O ' ' B' ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.483 ' CB ' ' O ' ' B' ' 17' ' ' ABA . 0.0 OUTLIER 170.37 -169.3 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.197 -0.939 . . . . 0.0 110.321 179.89 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.635 HG23 ' O ' ' B' ' 7' ' ' ARG . 21.5 m -128.82 151.88 49.1 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.447 -0.783 . . . . 0.0 109.902 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.579 ' CD1' ' HB3' ' B' ' 7' ' ' ARG . 7.0 m-85 -112.1 126.53 55.28 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.112 -0.993 . . . . 0.0 110.415 -179.751 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.441 HG12 ' O ' ' B' ' 21' ' ' VAL . 76.6 t -129.91 81.85 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.279 -0.888 . . . . 0.0 109.878 179.678 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 22' ' ' TYR . . . . . 0.541 ' O ' HG23 ' B' ' 5' ' ' ILE . 0.1 OUTLIER 177.8 119.71 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.287 -0.883 . . . . 0.0 109.805 -179.61 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.584 ' HA2' HG22 ' B' ' 5' ' ' ILE . . . -66.42 -110.93 0.01 OUTLIER Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.407 -1.477 . . . . 0.0 109.407 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -158.0 81.62 0.16 Allowed Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -88.41 29.49 0.97 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.224 -1.163 . . . . 0.0 110.201 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 119.917 -1.739 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MPT . . . . . 0.519 ' C ' ' SG ' ' A' ' 25' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 1' ' ' MPT . 0.5 OUTLIER 55.57 91.08 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.163 -0.96 . . . . 0.0 109.01 -179.308 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.57 ' O ' ' O ' ' A' ' 4' ' ' CLG . . . -81.51 36.97 0.44 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.309 -0.869 . . . . 0.0 111.566 -178.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' CLG . . . . . 0.724 ' CB ' ' HA2' ' A' ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.537 HG23 ' C ' ' A' ' 4' ' ' CLG . 12.0 pt -146.77 -160.11 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 120.714 -1.241 . . . . 0.0 110.546 -179.59 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.908 HD12 HG22 ' A' ' 21' ' ' VAL . 0.4 OUTLIER -57.63 88.96 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.382 -0.824 . . . . 0.0 110.553 -179.715 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.62 ' HB2' ' CZ ' ' A' ' 20' ' ' PHE . 0.4 OUTLIER -49.07 151.74 1.25 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.289 -0.882 . . . . 0.0 109.689 179.534 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.542 ' CD1' ' OG1' ' A' ' 19' ' ' THR . 0.1 OUTLIER -155.58 99.55 2.03 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.439 -0.788 . . . . 0.0 110.574 -179.838 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.573 ' CE1' ' HG2' ' A' ' 7' ' ' ARG . 11.3 m-85 -123.52 91.51 3.49 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.209 -0.932 . . . . 0.0 109.844 179.524 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.768 ' HB2' ' HG3' ' A' ' 17' ' ' ABA . 0.0 OUTLIER -99.19 151.97 20.41 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.37 -0.831 . . . . 0.0 110.174 -179.57 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.507 ' O ' ' N ' ' A' ' 15' ' ' GLY . 18.4 m120 -129.6 106.89 9.04 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.338 -0.851 . . . . 0.0 109.834 179.701 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.529 ' HB2' ' OH ' ' A' ' 10' ' ' TYR . . . -49.5 -40.0 35.95 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.219 -0.926 . . . . 0.0 110.512 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.17 -78.9 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.204 -0.935 . . . . 0.0 109.552 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.505 ' OD1' ' N ' ' A' ' 16' ' ' LEU . 3.3 p30 -71.76 -4.43 27.63 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.304 -0.872 . . . . 0.0 109.442 179.116 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 11' ' ' ASN . . . 61.64 37.69 94.63 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.539 ' HG ' ' H ' ' A' ' 17' ' ' ABA . 1.6 tt -89.86 159.82 16.78 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.231 -1.158 . . . . 0.0 110.078 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ABA . . . . . 0.768 ' HG3' ' HB2' ' A' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.535 ' HG3' ' NH1' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -58.79 148.9 28.09 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.193 -0.942 . . . . 0.0 109.775 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.59 HG23 ' O ' ' A' ' 7' ' ' ARG . 2.0 m -172.24 138.93 1.0 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.25 -0.906 . . . . 0.0 110.156 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.62 ' CZ ' ' HB2' ' A' ' 7' ' ' ARG . 3.9 p90 -149.99 142.76 24.68 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.046 -1.034 . . . . 0.0 110.492 179.362 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.908 HG22 HD12 ' A' ' 6' ' ' ILE . 12.4 t -95.09 74.63 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.306 -0.871 . . . . 0.0 110.754 -179.337 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.613 ' HB3' ' CE1' ' A' ' 20' ' ' PHE . 13.9 t80 -126.78 88.57 2.84 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.289 -0.882 . . . . 0.0 109.23 179.178 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.724 ' HA2' ' CB ' ' A' ' 4' ' ' CLG . . . -90.62 -172.8 44.23 Favored Glycine 0 N--CA 1.49 2.241 0 C-N-CA 119.215 -1.469 . . . . 0.0 110.25 -178.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.528 ' N ' ' HB3' ' A' ' 4' ' ' CLG . . . 132.59 84.39 0.25 Allowed Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.519 ' SG ' ' C ' ' A' ' 1' ' ' MPT . 0.0 OUTLIER -52.91 104.2 0.09 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.957 -1.32 . . . . 0.0 109.982 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 119.941 -1.725 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' MPT . . . . . 0.404 ' HB1' ' HB3' ' B' ' 25' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' B' ' 4' ' ' ARG . 0.0 OUTLIER 64.44 81.62 0.2 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.238 -0.914 . . . . 0.0 109.985 -179.887 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.5 83.92 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.351 -0.843 . . . . 0.0 110.284 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.546 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER 175.91 72.75 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.328 -0.858 . . . . 0.0 110.195 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.634 HG23 ' HB2' ' B' ' 22' ' ' TYR . 2.4 tt -149.96 67.84 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.672 -0.642 . . . . 0.0 110.256 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.699 HD12 ' CB ' ' A' ' 21' ' ' VAL . 13.6 mt -98.73 166.81 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.011 -1.056 . . . . 0.0 110.387 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 7' ' ' ARG . . . . . 0.502 ' O ' ' HA ' ' B' ' 19' ' ' THR . 1.8 mtp85 -126.31 102.45 7.18 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.247 -0.908 . . . . 0.0 110.156 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 8' ' ' TYR . . . . . 0.525 ' N ' ' O ' ' A' ' 19' ' ' THR . 4.1 m-30 -111.38 81.01 1.37 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.333 -0.854 . . . . 0.0 110.452 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -104.53 113.99 27.92 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.046 -1.034 . . . . 0.0 110.338 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' TYR . . . . . 0.44 ' O ' ' HB3' ' B' ' 11' ' ' ASN . 14.9 t80 -118.72 158.9 24.65 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.337 -0.852 . . . . 0.0 110.086 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 11' ' ' ASN . . . . . 0.492 ' OD1' ' N ' ' B' ' 16' ' ' CLH . 1.5 p30 -176.86 141.24 0.35 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.178 -0.951 . . . . 0.0 110.224 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.98 -156.38 0.39 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.242 -0.911 . . . . 0.0 110.232 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 63.3 mttt 46.14 24.69 0.28 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.31 -0.869 . . . . 0.0 110.229 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 48.48 55.67 8.62 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.211 -0.93 . . . . 0.0 110.179 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.478 ' CA ' ' OD1' ' B' ' 11' ' ' ASN . . . -82.61 -99.81 0.48 Allowed Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 16' ' ' CLH . . . . . 0.492 ' N ' ' OD1' ' B' ' 11' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' ABA . . . . . 0.421 ' O ' ' HG3' ' B' ' 18' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' B' ' 17' ' ' ABA . 1.1 mt-30 -175.44 109.19 0.1 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.162 -0.961 . . . . 0.0 110.263 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.502 ' HA ' ' O ' ' B' ' 7' ' ' ARG . 63.5 m -132.67 115.6 15.59 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.362 -0.837 . . . . 0.0 110.122 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.465 ' C ' HG13 ' B' ' 21' ' ' VAL . 13.2 m-85 -118.61 178.96 4.27 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.219 -0.926 . . . . 0.0 110.226 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.732 ' O ' HG23 ' B' ' 21' ' ' VAL . 33.2 m -149.05 100.12 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.294 -0.879 . . . . 0.0 110.317 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 22' ' ' TYR . . . . . 0.634 ' HB2' HG23 ' B' ' 5' ' ' ILE . 62.9 m-85 -105.2 -16.42 14.78 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.212 -0.93 . . . . 0.0 110.15 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' B' ' 22' ' ' TYR . . . -44.39 103.23 0.05 OUTLIER Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 143.73 54.67 0.03 OUTLIER Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.869 -1.292 . . . . 0.0 109.869 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' CYS . . . . . 0.404 ' HB3' ' HB1' ' B' ' 1' ' ' MPT . 0.1 OUTLIER -89.89 -16.73 29.41 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.134 -1.215 . . . . 0.0 109.759 179.642 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.356 0 O-C-N 120.036 -1.665 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.512 ' CG ' ' O ' ' A' ' 2' ' ' LYS . 0.1 OUTLIER -173.26 67.43 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.199 -0.938 . . . . 0.0 110.165 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -109.32 52.62 0.71 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.305 -0.872 . . . . 0.0 110.23 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' CLG . . . . . 0.606 ' C ' HG23 ' A' ' 5' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.836 HD13 ' H ' ' A' ' 5' ' ' ILE . 0.2 OUTLIER -151.95 166.03 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.245 -0.91 . . . . 0.0 110.35 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.608 ' N ' HD12 ' A' ' 6' ' ' ILE . 4.6 mp -123.83 74.1 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.3 -0.875 . . . . 0.0 110.14 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.73 102.06 13.82 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.261 -0.899 . . . . 0.0 110.351 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.565 ' O ' ' CD1' ' A' ' 9' ' ' PHE . 13.6 p90 -150.43 159.32 44.55 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.326 -0.859 . . . . 0.0 109.995 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.565 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 24.0 m-85 -146.15 93.28 2.3 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.147 -0.97 . . . . 0.0 110.535 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.818 ' HA ' ' HG3' ' A' ' 17' ' ' ABA . 22.7 t80 -44.35 136.41 4.09 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.176 -0.952 . . . . 0.0 109.537 179.591 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.478 ' O ' ' O ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -142.88 75.96 1.51 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.968 -1.083 . . . . 0.0 111.404 -179.388 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.833 ' O ' ' N ' ' A' ' 14' ' ' ASP . . . -62.46 -156.48 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 178.302 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp 48.58 -65.56 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.064 0 CA-C-O 121.919 0.866 . . . . 0.0 109.867 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.833 ' N ' ' O ' ' A' ' 12' ' ' ALA . 1.1 m-20 -55.03 -21.79 13.38 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 177.295 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.509 ' O ' ' HA ' ' B' ' 11' ' ' ASN . . . 96.53 -4.35 64.02 Favored Glycine 0 N--CA 1.489 2.2 0 C-N-CA 119.919 -1.134 . . . . 0.0 112.173 177.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.852 ' N ' HD13 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -144.5 160.36 41.23 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-N 119.848 1.824 . . . . 0.0 112.745 179.641 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ABA . . . . . 0.818 ' HG3' ' HA ' ' A' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.581 ' OE1' ' CD2' ' B' ' 9' ' ' PHE . 0.0 OUTLIER -46.83 126.18 8.34 Favored 'General case' 0 N--CA 1.499 1.987 0 C-N-CA 119.192 -1.003 . . . . 0.0 109.046 -178.659 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.472 ' HB ' ' HB2' ' B' ' 8' ' ' TYR . 54.6 m -144.52 115.84 8.02 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.088 -1.007 . . . . 0.0 111.094 -179.594 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.596 ' CD1' ' HG3' ' B' ' 7' ' ' ARG . 1.2 t80 -122.61 125.16 45.08 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 179.085 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.544 ' O ' HG22 ' A' ' 21' ' ' VAL . 0.6 OUTLIER -149.89 100.99 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 120.719 -1.238 . . . . 0.0 111.452 -178.715 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.873 ' CE2' HD12 ' B' ' 6' ' ' ILE . 0.1 OUTLIER 164.75 107.58 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.702 -0.623 . . . . 0.0 109.993 178.877 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.34 114.22 4.76 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.655 -1.378 . . . . 0.0 109.655 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.03 28.11 15.31 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 57.39 101.41 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.284 -1.127 . . . . 0.0 110.327 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 119.764 -1.835 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' MPT . . . . . 0.498 ' O ' ' N ' ' B' ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -119.98 54.34 1.03 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.275 -0.891 . . . . 0.0 110.229 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.474 ' O ' ' HG2' ' B' ' 4' ' ' ARG . . . -73.23 142.66 47.28 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.244 -0.91 . . . . 0.0 110.217 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.565 ' HD3' ' CZ ' ' A' ' 22' ' ' TYR . 2.6 mtt180 -147.29 110.71 4.89 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.143 -0.973 . . . . 0.0 110.677 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.788 HD12 ' H ' ' B' ' 5' ' ' ILE . 0.5 OUTLIER -149.59 36.83 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.361 -0.837 . . . . 0.0 110.113 179.616 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.873 HD12 ' CE2' ' A' ' 22' ' ' TYR . 91.9 mt -70.02 141.72 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 CA-C-O 121.808 0.813 . . . . 0.0 110.861 -179.511 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 7' ' ' ARG . . . . . 0.614 ' HB3' ' CZ ' ' B' ' 20' ' ' PHE . 0.0 OUTLIER -137.56 143.74 41.71 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.402 -0.811 . . . . 0.0 110.033 179.838 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 8' ' ' TYR . . . . . 1.067 ' HB3' ' HG3' ' B' ' 17' ' ' ABA . 7.0 m-85 -118.71 114.86 23.36 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.672 -0.642 . . . . 0.0 109.579 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 9' ' ' PHE . . . . . 0.635 ' CD1' ' O ' ' B' ' 9' ' ' PHE . 21.5 t80 -152.59 97.29 2.23 Favored 'General case' 0 N--CA 1.506 2.366 0 O-C-N 120.555 -1.34 . . . . 0.0 112.869 -179.377 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 10' ' ' TYR . . . . . 0.784 ' HB2' ' HA ' ' B' ' 17' ' ' ABA . 0.7 OUTLIER -134.02 170.64 15.34 Favored 'General case' 0 N--CA 1.509 2.522 0 O-C-N 120.101 -1.624 . . . . 0.0 109.48 177.532 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 11' ' ' ASN . . . . . 0.509 ' HA ' ' O ' ' A' ' 15' ' ' GLY . 4.7 p-10 -118.7 17.74 13.5 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.273 -0.892 . . . . 0.0 110.202 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' B' ' 14' ' ' ASP . . . -90.49 151.31 21.43 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.237 -0.914 . . . . 0.0 110.349 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? -51.62 92.25 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.246 -0.909 . . . . 0.0 110.1 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' B' ' 12' ' ' ALA . 0.6 OUTLIER 53.86 37.2 25.97 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.246 -0.909 . . . . 0.0 110.139 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -87.84 38.77 3.14 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' CLH . . . . . 0.53 ' O ' ' C ' ' B' ' 17' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' ABA . . . . . 1.067 ' HG3' ' HB3' ' B' ' 8' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.554 ' CB ' ' O ' ' B' ' 9' ' ' PHE . 45.6 tt0 -16.28 86.7 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.333 0 CA-C-O 121.215 0.531 . . . . 0.0 112.245 -178.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.917 HG23 ' CE1' ' B' ' 8' ' ' TYR . 55.0 m -99.61 105.9 17.81 Favored 'General case' 0 C--N 1.303 -1.419 0 C-N-CA 119.73 -0.788 . . . . 0.0 111.036 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.614 ' CZ ' ' HB3' ' B' ' 7' ' ' ARG . 8.7 p90 -122.88 143.66 49.73 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 119.596 -0.842 . . . . 0.0 109.847 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.597 HG12 HG12 ' B' ' 6' ' ' ILE . 4.7 m -126.8 154.27 36.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.205 -0.934 . . . . 0.0 110.523 -179.53 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 22' ' ' TYR . . . . . 0.551 ' HB3' HD11 ' B' ' 5' ' ' ILE . 2.3 t80 -132.25 -35.36 1.19 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.448 -0.782 . . . . 0.0 109.737 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.62 172.29 42.83 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.382 -1.487 . . . . 0.0 109.382 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.63 -39.97 0.57 Allowed Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.564 -1.415 . . . . 0.0 109.564 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 26.3 p -46.9 -22.27 0.3 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.296 -1.12 . . . . 0.0 110.147 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' NH2 . . . . . 0.498 ' N ' ' O ' ' B' ' 1' ' ' MPT . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 119.879 -1.763 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -161.64 79.75 0.57 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.162 -0.961 . . . . 0.0 110.587 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -105.85 56.98 0.67 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.187 -0.946 . . . . 0.0 109.973 179.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' CLG . . . . . 0.483 ' HE3' HG21 ' A' ' 21' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.505 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 3.7 mt -129.53 85.14 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.373 -0.829 . . . . 0.0 109.594 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.74 HG23 HG12 ' A' ' 21' ' ' VAL . 1.7 mt -63.12 111.74 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.326 -0.859 . . . . 0.0 110.966 -179.171 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.58 ' HB3' ' CE2' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -107.39 107.66 18.66 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.512 -0.742 . . . . 0.0 109.101 179.089 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.682 ' CG ' HG23 ' A' ' 19' ' ' THR . 0.2 OUTLIER -86.29 153.49 21.94 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.285 -0.884 . . . . 0.0 111.145 -178.938 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.58 ' CE2' ' HB3' ' A' ' 7' ' ' ARG . 64.0 m-85 -149.93 76.27 1.28 Allowed 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.501 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.673 ' HA ' ' HG3' ' A' ' 17' ' ' ABA . 10.3 t80 -40.55 165.62 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.51 -0.744 . . . . 0.0 111.14 -178.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.614 ' O ' ' CA ' ' A' ' 15' ' ' GLY . 31.3 p-10 -89.16 -18.48 27.06 Favored 'General case' 0 C--O 1.199 -1.57 0 O-C-N 121.513 -0.742 . . . . 0.0 111.327 -179.431 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.643 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . . . -45.37 -68.25 0.21 Allowed 'General case' 0 C--N 1.29 -2.006 0 O-C-N 120.173 -1.579 . . . . 0.0 111.041 -179.36 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -51.66 -85.68 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.428 -0.795 . . . . 0.0 111.708 -178.625 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.89 -3.37 3.35 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.47 -0.769 . . . . 0.0 111.13 -178.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.614 ' CA ' ' O ' ' A' ' 11' ' ' ASN . . . 74.48 15.31 80.46 Favored Glycine 0 N--CA 1.497 2.716 0 C-N-CA 118.307 -1.901 . . . . 0.0 109.428 -179.505 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 1.093 HD11 ' CZ ' ' B' ' 9' ' ' PHE . 5.9 tt -150.49 114.46 5.05 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.149 -1.206 . . . . 0.0 110.812 -179.405 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ABA . . . . . 0.673 ' HG3' ' HA ' ' A' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 179.41 127.05 0.07 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.054 -1.029 . . . . 0.0 110.503 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.682 HG23 ' CG ' ' A' ' 8' ' ' TYR . 0.2 OUTLIER -116.79 83.57 1.99 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.228 -0.92 . . . . 0.0 110.264 179.794 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.607 ' CZ ' ' HB2' ' A' ' 22' ' ' TYR . 8.3 t80 -89.38 107.21 18.94 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.231 -0.918 . . . . 0.0 109.749 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.74 HG12 HG23 ' A' ' 6' ' ' ILE . 2.1 m -94.64 -45.02 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 121.188 -0.945 . . . . 0.0 110.802 -179.348 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.74 ' CD1' HG23 ' B' ' 5' ' ' ILE . 9.4 t80 64.07 154.87 0.06 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.35 -0.844 . . . . 0.0 110.544 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.61 -110.11 0.63 Allowed Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.44 -1.464 . . . . 0.0 109.44 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.14 -70.75 0.25 Allowed Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.79 -1.324 . . . . 0.0 109.79 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 28.7 p -75.75 -9.33 58.5 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.218 -1.166 . . . . 0.0 110.361 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 119.806 -1.809 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -150.71 81.66 1.34 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.232 -0.917 . . . . 0.0 110.105 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -48.59 170.23 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.235 -0.916 . . . . 0.0 110.185 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.448 ' NH1' ' CG2' ' B' ' 21' ' ' VAL . 0.4 OUTLIER -150.02 -158.95 0.97 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.273 -0.892 . . . . 0.0 110.196 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.74 HG23 ' CD1' ' A' ' 22' ' ' TYR . 33.6 mt -130.48 73.43 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.211 -0.93 . . . . 0.0 110.062 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.708 HG23 ' CE1' ' B' ' 8' ' ' TYR . 96.8 mt -63.03 113.32 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.402 -0.811 . . . . 0.0 110.198 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 7' ' ' ARG . . . . . 0.443 ' HG3' HG22 ' B' ' 5' ' ' ILE . 17.9 mtm180 -119.85 89.73 3.19 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.252 -0.905 . . . . 0.0 110.211 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 8' ' ' TYR . . . . . 0.708 ' CE1' HG23 ' B' ' 6' ' ' ILE . 21.9 m-30 -75.69 150.23 37.94 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.242 -0.911 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 9' ' ' PHE . . . . . 1.093 ' CZ ' HD11 ' A' ' 16' ' ' LEU . 65.9 t80 -150.14 46.79 0.91 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.449 -0.782 . . . . 0.0 109.585 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 10' ' ' TYR . . . . . 0.589 ' CD1' ' HA ' ' B' ' 16' ' ' CLH . 0.7 OUTLIER -39.11 -33.86 0.15 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.705 -0.622 . . . . 0.0 110.607 -179.818 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 11' ' ' ASN . . . . . 0.432 ' HA ' ' HG ' ' A' ' 16' ' ' LEU . 17.1 t30 54.34 173.72 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.941 -1.1 . . . . 0.0 109.896 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 12' ' ' ALA . . . . . 0.415 ' O ' ' O ' ' B' ' 13' ' ' LYS . . . -90.43 -138.46 0.14 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.228 -0.92 . . . . 0.0 110.708 -179.741 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' B' ' 12' ' ' ALA . 0.1 OUTLIER 42.89 -162.98 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.2 -0.937 . . . . 0.0 109.999 -179.801 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.3 41.42 0.88 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.224 -0.922 . . . . 0.0 110.07 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.478 ' O ' ' O ' ' B' ' 10' ' ' TYR . . . -105.0 59.97 0.42 Allowed Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' CLH . . . . . 0.589 ' HA ' ' CD1' ' B' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' ABA . . . . . 0.527 ' CB ' ' O ' ' B' ' 16' ' ' CLH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.498 ' HB3' ' HB3' ' B' ' 9' ' ' PHE . 0.0 OUTLIER 167.95 59.45 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.275 -0.89 . . . . 0.0 110.051 179.825 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.0 m -98.28 156.33 16.77 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.156 -0.965 . . . . 0.0 110.402 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -118.78 64.96 0.77 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.312 -0.867 . . . . 0.0 110.014 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.448 ' CG2' ' NH1' ' B' ' 4' ' ' ARG . 7.4 p -92.23 145.99 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.2 -0.938 . . . . 0.0 110.375 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 22' ' ' TYR . . . . . 0.525 ' CG ' ' N ' ' B' ' 23' ' ' GLY . 26.4 p90 -146.85 -39.14 0.21 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.22 -0.925 . . . . 0.0 110.2 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.525 ' N ' ' CG ' ' B' ' 22' ' ' TYR . . . -61.49 -117.31 0.01 OUTLIER Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -172.08 -91.74 0.08 OUTLIER Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 52.6 t -52.35 135.65 32.59 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.275 -1.133 . . . . 0.0 110.16 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.323 0 O-C-N 119.888 -1.758 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MPT . . . . . 0.408 ' O ' ' SG ' ' A' ' 25' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.451 ' CG ' ' HB2' ' A' ' 25' ' ' CYS . 32.7 mtpt -122.48 65.89 0.94 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.291 -0.881 . . . . 0.0 110.293 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.615 ' O ' ' C ' ' A' ' 4' ' ' CLG . . . -89.17 39.96 0.96 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.151 -0.968 . . . . 0.0 110.116 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' CLG . . . . . 0.615 ' C ' ' O ' ' A' ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.737 HG23 ' O ' ' A' ' 5' ' ' ILE . 6.6 tp -53.55 96.32 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.203 -0.935 . . . . 0.0 110.028 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 40.0 mt -67.14 112.06 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.241 -0.912 . . . . 0.0 110.274 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.497 ' CG ' HG13 ' A' ' 5' ' ' ILE . 76.0 mtm-85 -127.48 119.02 25.15 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.201 -0.937 . . . . 0.0 110.156 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.436 ' CB ' ' HA ' ' A' ' 19' ' ' THR . 35.5 p90 -121.93 162.95 20.12 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.27 -0.894 . . . . 0.0 110.213 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -127.44 -163.26 1.24 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.334 -0.854 . . . . 0.0 109.967 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -128.49 136.64 51.09 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.228 -0.92 . . . . 0.0 110.396 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.44 ' HB2' HD21 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -142.82 112.04 6.62 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.45 -0.781 . . . . 0.0 109.429 179.691 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.491 ' O ' ' C ' ' A' ' 13' ' ' LYS . . . -90.05 -6.96 54.95 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.466 -0.772 . . . . 0.0 110.948 -179.275 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.491 ' C ' ' O ' ' A' ' 12' ' ' ALA . 10.1 mttt -38.45 -52.39 1.57 Allowed 'General case' 0 N--CA 1.498 1.962 0 CA-C-O 121.812 0.815 . . . . 0.0 108.947 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.797 ' HB2' HD12 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -130.46 9.88 5.17 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 107.667 -1.235 . . . . 0.0 107.667 177.306 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.706 ' C ' HD13 ' A' ' 16' ' ' LEU . . . 66.06 76.82 0.31 Allowed Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.658 -1.377 . . . . 0.0 109.658 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.891 ' N ' HD13 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -150.63 69.71 0.99 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.993 -1.298 . . . . 0.0 111.462 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ABA . . . . . 0.57 ' C ' ' O ' ' A' ' 16' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.415 ' O ' ' HB2' ' A' ' 8' ' ' TYR . 50.2 tt0 -101.82 142.68 32.77 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.105 -0.997 . . . . 0.0 111.21 -178.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.51 ' O ' ' CB ' ' B' ' 8' ' ' TYR . 4.3 m -122.2 91.7 3.56 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.569 -0.707 . . . . 0.0 109.27 179.35 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.606 ' CD1' ' CD ' ' B' ' 7' ' ' ARG . 5.4 t80 -89.63 130.44 35.93 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.269 -0.894 . . . . 0.0 110.766 -179.148 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.551 HG12 ' OH ' ' B' ' 22' ' ' TYR . 4.1 t -106.74 161.34 5.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.399 -0.813 . . . . 0.0 109.482 179.499 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.856 ' HA ' HD12 ' B' ' 5' ' ' ILE . 79.6 t80 -151.29 83.89 1.31 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.852 -1.155 . . . . 0.0 111.404 -179.259 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.672 ' H ' HD13 ' B' ' 5' ' ' ILE . . . -74.85 -175.37 35.23 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 108.767 -1.733 . . . . 0.0 108.767 179.22 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.494 ' O ' ' CB ' ' A' ' 25' ' ' CYS . . . 137.33 155.47 6.95 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.655 -1.378 . . . . 0.0 109.655 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.1 OUTLIER 169.09 96.31 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.346 -1.09 . . . . 0.0 109.94 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 119.879 -1.763 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' MPT . . . . . 0.413 ' O ' ' C ' ' B' ' 2' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.576 ' O ' ' CD2' ' B' ' 22' ' ' TYR . 1.0 OUTLIER 42.8 43.8 3.57 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.31 -0.869 . . . . 0.0 110.462 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.584 ' O ' ' CD1' ' B' ' 22' ' ' TYR . . . -110.85 -151.08 0.47 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.326 -0.859 . . . . 0.0 110.117 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.68 ' O ' HD13 ' B' ' 5' ' ' ILE . 6.7 mpt_? 60.2 -115.81 0.71 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.562 -0.711 . . . . 0.0 111.281 179.488 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.856 HD12 ' HA ' ' A' ' 22' ' ' TYR . 27.1 mm -150.06 126.39 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 120.546 -1.346 . . . . 0.0 111.382 -179.52 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.522 ' HB ' ' CA ' ' B' ' 22' ' ' TYR . 10.1 tt -125.02 130.55 73.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.672 -0.642 . . . . 0.0 110.413 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 7' ' ' ARG . . . . . 0.606 ' CD ' ' CD1' ' A' ' 20' ' ' PHE . 1.0 OUTLIER -102.36 126.23 49.31 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.459 -0.776 . . . . 0.0 110.11 179.894 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 8' ' ' TYR . . . . . 0.527 ' CZ ' HG21 ' B' ' 19' ' ' THR . 0.3 OUTLIER -108.32 139.71 42.63 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.223 -0.923 . . . . 0.0 110.159 179.881 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 9' ' ' PHE . . . . . 0.443 ' O ' ' CD2' ' B' ' 9' ' ' PHE . 38.6 t80 -149.79 59.32 0.99 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.197 -0.939 . . . . 0.0 110.477 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 10' ' ' TYR . . . . . 0.665 ' HA ' ' CB ' ' B' ' 17' ' ' ABA . 1.1 p90 -60.65 -179.07 0.11 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.151 -0.968 . . . . 0.0 109.607 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 11' ' ' ASN . . . . . 0.626 ' N ' ' CD1' ' B' ' 10' ' ' TYR . 18.6 p-10 -165.37 -41.1 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.064 -1.023 . . . . 0.0 110.619 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 12' ' ' ALA . . . . . 0.51 ' N ' ' OD1' ' B' ' 11' ' ' ASN . . . -76.38 153.68 35.55 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.119 -0.988 . . . . 0.0 110.367 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.76 -27.98 0.95 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.292 -0.88 . . . . 0.0 110.078 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -48.57 -49.3 37.18 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.206 -0.934 . . . . 0.0 110.101 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.17 25.46 6.1 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' CLH . . . . . 0.545 ' N ' ' HB2' ' B' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' ABA . . . . . 0.665 ' CB ' ' HA ' ' B' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.458 ' H ' ' HG2' ' B' ' 17' ' ' ABA . 0.0 OUTLIER -43.95 98.05 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.018 -1.051 . . . . 0.0 110.013 179.918 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.527 HG21 ' CZ ' ' B' ' 8' ' ' TYR . 0.1 OUTLIER -117.6 137.92 52.29 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.186 -0.946 . . . . 0.0 110.416 -179.787 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.454 ' N ' ' CD1' ' B' ' 20' ' ' PHE . 12.1 m-85 -101.14 -160.45 0.8 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.36 -0.838 . . . . 0.0 109.913 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.465 ' O ' ' O ' ' B' ' 5' ' ' ILE . 7.8 p -119.8 160.67 19.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.18 -0.95 . . . . 0.0 110.602 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 22' ' ' TYR . . . . . 0.584 ' CD1' ' O ' ' B' ' 3' ' ' ALA . 0.0 OUTLIER -83.97 -76.59 0.29 Allowed 'General case' 0 C--N 1.306 -1.3 0 O-C-N 121.369 -0.832 . . . . 0.0 108.942 179.415 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.664 ' CA ' ' HB2' ' B' ' 4' ' ' ARG . . . -111.83 -117.57 3.63 Favored Glycine 0 N--CA 1.495 2.63 0 N-CA-C 109.766 -1.333 . . . . 0.0 109.766 179.379 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.1 36.78 0.02 OUTLIER Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 8.6 p -58.85 128.56 37.84 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.281 -1.129 . . . . 0.0 110.205 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.363 0 O-C-N 119.797 -1.814 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.3 mtmp? -123.42 -121.06 0.28 Allowed 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.334 -0.854 . . . . 0.0 109.531 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.476 ' O ' ' CB ' ' A' ' 4' ' ' CLG . . . -102.01 58.43 0.83 Allowed 'General case' 0 C--N 1.286 -2.159 0 O-C-N 121.651 -0.655 . . . . 0.0 110.193 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' CLG . . . . . 0.485 ' HB3' ' HA2' ' A' ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.513 HD11 ' CZ ' ' A' ' 22' ' ' TYR . 4.2 pt -68.3 174.32 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.176 -0.953 . . . . 0.0 109.977 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.565 HG23 HG11 ' A' ' 21' ' ' VAL . 2.5 mp -146.63 96.79 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.132 -0.98 . . . . 0.0 110.419 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.6 mmt-85 -94.41 120.35 34.53 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.216 -0.927 . . . . 0.0 109.854 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.511 ' CB ' ' HA ' ' A' ' 19' ' ' THR . 26.4 p90 -156.58 176.92 12.08 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.204 -0.935 . . . . 0.0 110.606 -179.657 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -134.98 176.17 8.91 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.459 -0.776 . . . . 0.0 109.687 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -127.78 138.35 52.71 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.13 -0.981 . . . . 0.0 110.478 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -142.85 63.02 1.39 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.348 -0.845 . . . . 0.0 110.14 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.12 -25.44 5.17 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.27 -0.894 . . . . 0.0 110.256 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -53.75 -74.68 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.262 -0.899 . . . . 0.0 109.387 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.43 -5.24 31.32 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.257 -0.902 . . . . 0.0 109.34 179.013 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.584 ' O ' HD12 ' A' ' 16' ' ' LEU . . . 74.07 46.41 22.2 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.584 HD12 ' O ' ' A' ' 15' ' ' GLY . 0.9 OUTLIER -133.21 165.67 24.25 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.263 -1.14 . . . . 0.0 110.301 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ABA . . . . . 0.675 ' HG2' ' O ' ' A' ' 17' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 17' ' ' ABA . 2.7 mm-40 -42.49 127.53 3.79 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.286 -0.884 . . . . 0.0 110.395 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.511 ' HA ' ' CB ' ' A' ' 8' ' ' TYR . 5.2 m -137.88 95.27 3.01 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.296 -0.878 . . . . 0.0 110.113 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -103.14 107.78 18.72 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.182 -0.949 . . . . 0.0 109.949 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.565 HG11 HG23 ' A' ' 6' ' ' ILE . 3.8 m -121.33 151.31 24.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.246 -0.909 . . . . 0.0 110.354 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.567 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 27.8 p90 -140.41 125.71 18.77 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.306 -0.871 . . . . 0.0 110.092 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.485 ' HA2' ' HB3' ' A' ' 4' ' ' CLG . . . -58.01 153.91 24.95 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.635 -1.386 . . . . 0.0 109.635 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.479 ' HA3' ' HE3' ' B' ' 2' ' ' LYS . . . -171.51 32.55 0.14 Allowed Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.411 -1.476 . . . . 0.0 109.411 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 45.6 t -151.06 -56.74 0.16 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.305 -1.115 . . . . 0.0 110.206 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.408 0 O-C-N 119.888 -1.758 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' MPT . . . . . 0.408 ' HB2' ' HB3' ' B' ' 25' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.479 ' HE3' ' HA3' ' A' ' 24' ' ' GLY . 17.1 tptm 51.37 70.81 0.5 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.276 -0.89 . . . . 0.0 110.241 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.795 ' HB2' ' SG ' ' B' ' 25' ' ' CYS . . . -108.56 47.65 0.9 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.264 -0.897 . . . . 0.0 110.252 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.627 ' NH2' HD11 ' B' ' 6' ' ' ILE . 1.2 mtp180 -135.64 97.37 3.65 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.219 -0.926 . . . . 0.0 110.143 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.425 ' O ' ' HA ' ' B' ' 21' ' ' VAL . 29.6 mt -131.62 134.18 60.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.264 -0.898 . . . . 0.0 110.254 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.627 HD11 ' NH2' ' B' ' 4' ' ' ARG . 72.4 mt -129.12 151.13 35.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.286 -0.884 . . . . 0.0 110.194 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 7' ' ' ARG . . . . . 0.513 ' HB3' ' CD2' ' B' ' 20' ' ' PHE . 2.9 ttt180 -127.46 98.52 5.27 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.282 -0.886 . . . . 0.0 110.308 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 8' ' ' TYR . . . . . 0.509 ' HB2' HG22 ' A' ' 19' ' ' THR . 12.7 m-85 -94.11 113.29 25.22 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.248 -0.908 . . . . 0.0 110.009 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 9' ' ' PHE . . . . . 0.624 ' CG ' ' O ' ' B' ' 9' ' ' PHE . 4.5 t80 -125.95 35.13 4.74 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.058 -1.026 . . . . 0.0 110.495 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 10' ' ' TYR . . . . . 0.59 ' CZ ' ' HB3' ' A' ' 17' ' ' ABA . 1.3 p90 -43.14 122.43 2.49 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.946 -1.096 . . . . 0.0 110.237 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 11' ' ' ASN . . . . . 0.466 ' O ' ' HB2' ' B' ' 16' ' ' CLH . 13.9 p30 -122.13 166.34 14.7 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.181 -0.949 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.02 -118.19 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.026 -1.046 . . . . 0.0 110.137 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.443 ' O ' ' HG2' ' B' ' 13' ' ' LYS . 1.9 tttm 47.59 51.42 13.88 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.937 -1.102 . . . . 0.0 110.592 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' B' ' 13' ' ' LYS . 3.4 m-20 41.36 60.53 2.06 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.286 -0.884 . . . . 0.0 110.341 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 156.94 104.57 0.21 Allowed Glycine 0 N--CA 1.489 2.184 0 N-CA-C 108.995 -1.642 . . . . 0.0 108.995 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' CLH . . . . . 0.519 ' C ' ' HD2' ' B' ' 16' ' ' CLH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' ABA . . . . . 0.612 ' C ' ' CG ' ' B' ' 18' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.616 ' OE1' ' N ' ' B' ' 9' ' ' PHE . 0.0 OUTLIER 167.05 66.39 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.4 -0.812 . . . . 0.0 110.801 -177.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 37.6 m -101.5 123.43 45.53 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.281 -0.887 . . . . 0.0 110.074 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.513 ' CD2' ' HB3' ' B' ' 7' ' ' ARG . 5.9 m-85 -114.29 126.99 55.65 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.238 -0.914 . . . . 0.0 110.184 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.475 ' O ' HG13 ' B' ' 21' ' ' VAL . 7.3 p -116.98 127.41 74.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.19 -0.944 . . . . 0.0 110.21 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -128.79 98.02 4.85 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.184 -0.948 . . . . 0.0 110.148 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -100.23 91.64 1.02 Allowed Glycine 0 N--CA 1.489 2.191 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' GLY . . . . . 0.426 ' O ' ' HB2' ' B' ' 25' ' ' CYS . . . -138.49 12.37 3.48 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.629 -1.389 . . . . 0.0 109.629 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 25' ' ' CYS . . . . . 0.795 ' SG ' ' HB2' ' B' ' 3' ' ' ALA . 92.2 m 54.53 17.19 1.54 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.158 -1.201 . . . . 0.0 110.182 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 119.866 -1.771 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.973 HG22 ' O ' ' A' ' 22' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.089 0.471 . . . . 0.0 110.047 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.476 ' N ' HG23 ' A' ' 5' ' ' ILE . 21.7 mt -142.17 132.19 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.019 -1.051 . . . . 0.0 110.56 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.472 ' HA ' ' NE ' ' A' ' 7' ' ' ARG . 9.0 tpm_? -154.67 88.52 1.2 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.31 -0.869 . . . . 0.0 109.777 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.583 ' C ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -131.94 -177.54 4.49 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.393 -0.817 . . . . 0.0 111.292 -179.436 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.501 ' O ' ' O ' ' A' ' 10' ' ' TYR . 23.6 m-85 -133.0 20.42 4.11 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.119 -0.988 . . . . 0.0 110.008 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.516 ' O ' ' CB ' ' A' ' 11' ' ' ASN . 8.4 t80 48.22 170.59 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.752 0 CA-C-O 121.867 0.841 . . . . 0.0 111.513 179.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.521 ' O ' ' O ' ' A' ' 12' ' ' ALA . 0.6 OUTLIER 162.35 67.24 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.521 ' O ' ' O ' ' A' ' 11' ' ' ASN . . . -44.13 -103.47 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.469 -0.769 . . . . 0.0 110.967 -179.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.52 ' O ' ' CB ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER 45.74 84.84 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.619 -1.301 . . . . 0.0 109.203 -179.371 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.52 ' CB ' ' O ' ' A' ' 13' ' ' LYS . 3.4 m-20 74.45 0.19 3.51 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.73 -0.606 . . . . 0.0 109.615 -178.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.15 48.63 2.39 Favored Glycine 0 N--CA 1.492 2.387 0 C-N-CA 119.828 -1.177 . . . . 0.0 110.514 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.499 ' HB3' ' O ' ' A' ' 11' ' ' ASN . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.673 0 O-C-N 121.055 -1.262 . . . . 0.0 109.592 179.142 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.482 ' O ' ' HB2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.192 0.52 . . . . 0.0 109.627 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.562 HG22 ' O ' ' A' ' 19' ' ' THR . 27.6 m -105.01 80.92 1.67 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.488 -0.758 . . . . 0.0 111.394 -178.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.596 ' CD1' ' HB3' ' B' ' 7' ' ' ARG . 51.2 t80 -89.76 85.62 6.47 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 178.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.725 ' HB ' HG23 ' B' ' 6' ' ' ILE . 78.9 t -89.85 157.7 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.172 -0.955 . . . . 0.0 111.469 -178.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.973 ' O ' HG22 ' A' ' 5' ' ' ILE . 2.1 t80 -117.42 142.68 46.84 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.48 -0.762 . . . . 0.0 109.731 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.453 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . . . . . . 0 N--CA 1.49 2.278 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . 0.564 ' N ' HD13 ' B' ' 5' ' ' ILE . 17.0 tpt85 . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 121.286 0.565 . . . . 0.0 110.368 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.792 HD13 ' N ' ' B' ' 5' ' ' ILE . 0.0 OUTLIER -121.28 116.67 50.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.287 -0.883 . . . . 0.0 110.201 179.772 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.785 HG23 ' O ' ' B' ' 6' ' ' ILE . 0.1 OUTLIER -72.71 64.79 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.339 0 CA-C-O 122.683 1.23 . . . . 0.0 109.635 179.74 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' ARG . . . . . 0.876 ' NH1' HG22 ' B' ' 21' ' ' VAL . 0.0 OUTLIER -56.05 91.92 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.047 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.846 179.175 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . 0.652 ' CD2' HD12 ' B' ' 6' ' ' ILE . 0.1 OUTLIER -91.12 172.78 8.32 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.771 -0.581 . . . . 0.0 110.273 179.823 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . 0.549 ' HB3' ' CB ' ' B' ' 18' ' ' GLN . 58.8 t80 -150.22 67.89 0.98 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.273 -0.892 . . . . 0.0 110.087 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' B' ' 9' ' ' PHE . 6.7 t80 -42.56 102.6 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.288 -0.883 . . . . 0.0 110.208 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . 0.459 ' HA ' ' HG ' ' A' ' 16' ' ' LEU . 38.8 t-20 . . . . . 0 N--CA 1.491 1.615 0 O-C-N 121.268 -0.895 . . . . 0.0 110.165 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.549 ' CB ' ' HB3' ' B' ' 9' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.253 0.549 . . . . 0.0 110.113 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.727 HG22 HH11 ' B' ' 7' ' ' ARG . 0.2 OUTLIER -162.53 117.25 1.81 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.355 -0.84 . . . . 0.0 109.898 179.893 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.653 ' N ' ' HD3' ' B' ' 7' ' ' ARG . 2.2 m-85 -89.63 97.68 11.33 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.183 -0.948 . . . . 0.0 110.138 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.876 HG22 ' NH1' ' B' ' 7' ' ' ARG . 97.7 t . . . . . 0 N--CA 1.492 1.673 0 O-C-N 120.767 -1.208 . . . . 0.0 110.561 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.673 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.231 0.538 . . . . 0.0 109.951 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.961 ' HA ' HG22 ' A' ' 21' ' ' VAL . 57.1 mt -83.48 160.22 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.307 -0.871 . . . . 0.0 110.526 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.457 ' NH1' ' CE1' ' A' ' 9' ' ' PHE . 0.0 OUTLIER 173.68 103.92 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.333 -0.854 . . . . 0.0 109.89 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.746 ' HB3' HG23 ' A' ' 19' ' ' THR . 49.7 p90 -127.33 179.23 5.57 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.171 -0.955 . . . . 0.0 110.526 -179.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.457 ' CE1' ' NH1' ' A' ' 7' ' ' ARG . 26.6 m-85 -128.44 111.82 13.72 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.371 -0.831 . . . . 0.0 109.955 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -69.42 139.45 54.05 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.256 -0.903 . . . . 0.0 110.446 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.48 ' HB3' ' OD1' ' A' ' 14' ' ' ASP . 55.1 m-80 -145.52 73.2 1.34 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.277 -0.889 . . . . 0.0 110.025 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.54 -35.36 63.14 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.325 -0.859 . . . . 0.0 110.367 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.95 -82.07 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.207 -0.933 . . . . 0.0 109.321 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.48 ' OD1' ' HB3' ' A' ' 11' ' ' ASN . 39.8 p-10 -75.44 -0.93 21.73 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.323 -0.861 . . . . 0.0 109.356 179.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 11' ' ' ASN . . . 61.39 34.89 89.93 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.947 HD12 ' HA ' ' B' ' 11' ' ' ASN . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.279 -1.13 . . . . 0.0 110.216 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.6 ' CG ' ' CD1' ' B' ' 9' ' ' PHE . 1.5 tm0? . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.169 0.509 . . . . 0.0 110.206 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.746 HG23 ' HB3' ' A' ' 8' ' ' TYR . 49.3 m -133.43 151.47 51.8 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.263 -0.898 . . . . 0.0 110.242 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.515 ' HA ' ' HB2' ' B' ' 7' ' ' ARG . 0.4 OUTLIER -149.74 98.99 2.82 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.327 -0.858 . . . . 0.0 110.289 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.961 HG22 ' HA ' ' A' ' 6' ' ' ILE . 64.6 t -98.01 -79.31 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.266 -0.896 . . . . 0.0 110.075 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.592 ' CG ' ' HB ' ' B' ' 5' ' ' ILE . 1.0 OUTLIER 69.56 116.75 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.442 -0.786 . . . . 0.0 110.354 179.75 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.254 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.257 0.551 . . . . 0.0 110.407 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.592 ' HB ' ' CG ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -112.6 173.54 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.258 -0.901 . . . . 0.0 109.165 179.649 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.71 HG23 ' HB ' ' A' ' 21' ' ' VAL . 12.3 tt -170.46 140.72 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.031 -1.043 . . . . 0.0 110.647 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' ARG . . . . . 0.619 ' HG2' ' CZ ' ' B' ' 20' ' ' PHE . 0.0 OUTLIER -172.23 147.71 2.04 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.335 -0.853 . . . . 0.0 110.107 179.634 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . 0.653 ' CD1' HG23 ' B' ' 19' ' ' THR . 0.7 OUTLIER -115.87 116.59 28.26 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.718 -0.614 . . . . 0.0 109.365 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . 0.6 ' CD1' ' CG ' ' A' ' 18' ' ' GLN . 5.7 t80 -150.53 100.59 2.87 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.917 -1.114 . . . . 0.0 111.089 -179.294 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . 0.475 ' O ' ' HB2' ' B' ' 11' ' ' ASN . 10.7 t80 -114.76 -86.36 0.6 Allowed 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.028 -1.045 . . . . 0.0 109.92 178.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . 0.947 ' HA ' HD12 ' A' ' 16' ' ' LEU . 9.0 t30 . . . . . 0 N--CA 1.491 1.623 0 O-C-N 121.513 -0.742 . . . . 0.0 110.021 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.516 ' CB ' ' O ' ' B' ' 9' ' ' PHE . 22.3 tt0 . . . . . 0 N--CA 1.503 2.199 0 CA-C-O 121.344 0.593 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.653 HG23 ' CD1' ' B' ' 8' ' ' TYR . 18.6 m -97.21 110.04 22.67 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.413 -0.804 . . . . 0.0 111.128 -178.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.619 ' CZ ' ' HG2' ' B' ' 7' ' ' ARG . 38.9 p90 -133.64 128.3 34.79 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.172 -0.955 . . . . 0.0 110.121 178.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.472 HG13 ' HB ' ' B' ' 6' ' ' ILE . 1.4 t . . . . . 0 N--CA 1.495 1.784 0 O-C-N 121.376 -0.827 . . . . 0.0 110.336 -179.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.633 ' O ' HG13 ' A' ' 21' ' ' VAL . 2.8 mp . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 121.296 0.57 . . . . 0.0 110.442 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.802 HD12 ' CG2' ' A' ' 21' ' ' VAL . 0.5 OUTLIER -143.75 107.35 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.285 -0.885 . . . . 0.0 110.098 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.49 140.99 52.01 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.275 -0.89 . . . . 0.0 110.244 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.443 ' O ' ' CD1' ' A' ' 9' ' ' PHE . 0.3 OUTLIER -119.92 142.3 48.84 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.3 -0.875 . . . . 0.0 110.256 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.443 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 43.4 m-85 -143.28 104.21 4.23 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.306 -0.871 . . . . 0.0 110.143 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -56.38 139.33 49.07 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.207 -0.933 . . . . 0.0 110.235 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.467 ' O ' ' O ' ' A' ' 12' ' ' ALA . 9.9 t30 -150.46 93.62 2.0 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.302 -0.874 . . . . 0.0 110.038 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.467 ' O ' ' O ' ' A' ' 11' ' ' ASN . . . -58.22 -116.93 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.327 -0.858 . . . . 0.0 110.142 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER 51.53 80.52 0.08 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.811 -1.18 . . . . 0.0 109.349 -179.678 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.458 ' CB ' ' O ' ' A' ' 13' ' ' LYS . 4.9 t70 67.78 8.03 6.13 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.333 -0.855 . . . . 0.0 109.409 -178.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 71.3 94.07 0.07 OUTLIER Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.606 -1.398 . . . . 0.0 109.606 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 tp . . . . . 0 N--CA 1.49 1.561 0 O-C-N 121.255 -1.144 . . . . 0.0 110.199 179.943 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.474 ' HG2' ' CE2' ' B' ' 9' ' ' PHE . 15.6 mt-30 . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.178 0.513 . . . . 0.0 110.214 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.449 ' HB ' ' HB3' ' B' ' 8' ' ' TYR . 49.4 m -131.08 121.96 25.9 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.303 -0.873 . . . . 0.0 110.188 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -118.32 134.86 54.68 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.327 -0.858 . . . . 0.0 110.244 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.802 ' CG2' HD12 ' A' ' 6' ' ' ILE . 16.5 t -126.7 145.62 33.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.22 -0.925 . . . . 0.0 110.153 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.589 ' HA ' HG23 ' B' ' 5' ' ' ILE . 28.1 p90 -138.83 122.7 17.71 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.184 -0.948 . . . . 0.0 110.125 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.3 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 -179.927 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.244 0.545 . . . . 0.0 110.586 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.736 HG23 ' O ' ' A' ' 21' ' ' VAL . 92.1 mt -90.66 150.23 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.09 -1.007 . . . . 0.0 110.212 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 76.9 mt -131.29 118.97 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.24 -0.912 . . . . 0.0 110.225 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' ARG . . . . . 0.49 ' O ' ' HA ' ' B' ' 19' ' ' THR . 3.6 mtm180 -74.07 155.34 38.61 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.254 -0.904 . . . . 0.0 110.15 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . 0.554 ' O ' ' CD1' ' B' ' 9' ' ' PHE . 2.5 m-85 -149.0 158.31 44.09 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.379 -0.826 . . . . 0.0 110.193 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . 0.554 ' CD1' ' O ' ' B' ' 8' ' ' TYR . 8.5 m-85 -146.6 79.84 1.54 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.195 -0.941 . . . . 0.0 110.255 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -50.46 107.51 0.17 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.226 -0.922 . . . . 0.0 110.234 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 . . . . . 0 N--CA 1.491 1.578 0 O-C-N 121.28 -0.888 . . . . 0.0 110.145 179.884 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.511 ' HB3' ' CZ ' ' B' ' 20' ' ' PHE . 9.3 mt-30 . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.184 0.516 . . . . 0.0 109.936 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.57 ' O ' ' CD1' ' B' ' 20' ' ' PHE . 5.5 t -105.1 150.74 24.76 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.166 -0.959 . . . . 0.0 110.424 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.57 ' CD1' ' O ' ' B' ' 19' ' ' THR . 6.5 m-85 -134.67 -161.6 1.16 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.21 -0.932 . . . . 0.0 110.188 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 32.9 m . . . . . 0 N--CA 1.491 1.587 0 O-C-N 121.298 -0.876 . . . . 0.0 110.373 -179.946 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 44.6 mt . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.275 0.559 . . . . 0.0 110.172 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.8 mt -76.37 100.75 2.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.309 -0.87 . . . . 0.0 110.183 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 20' ' ' PHE . 0.8 OUTLIER -117.5 133.45 55.95 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.301 -0.874 . . . . 0.0 110.2 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.55 ' O ' ' CD1' ' A' ' 9' ' ' PHE . 27.1 p90 -144.1 -172.55 3.79 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.211 -0.931 . . . . 0.0 110.253 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.55 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 43.9 m-85 -148.56 -164.78 2.1 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.313 -0.867 . . . . 0.0 110.162 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -142.49 110.47 5.92 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.242 -0.911 . . . . 0.0 110.259 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -99.4 80.89 2.46 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.266 -0.896 . . . . 0.0 110.158 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.25 -27.03 69.07 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.258 -0.901 . . . . 0.0 110.216 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.77 -80.33 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.238 -0.914 . . . . 0.0 109.329 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.53 -2.89 24.58 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.33 -0.857 . . . . 0.0 109.445 178.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.45 56.16 23.26 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.441 ' CD1' ' HB2' ' B' ' 11' ' ' ASN . 5.8 tp . . . . . 0 N--CA 1.492 1.641 0 O-C-N 121.328 -1.101 . . . . 0.0 110.241 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.495 ' HG2' ' CZ ' ' B' ' 9' ' ' PHE . 3.7 mt-30 . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 121.221 0.534 . . . . 0.0 110.215 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.622 HG22 ' HB2' ' B' ' 8' ' ' TYR . 43.4 m -122.17 96.56 5.1 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.238 -0.914 . . . . 0.0 110.208 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.407 ' O ' ' O ' ' A' ' 7' ' ' ARG . 52.8 t80 -101.3 118.96 38.02 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.282 -0.886 . . . . 0.0 110.198 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.474 HG12 ' N ' ' A' ' 22' ' ' TYR . 30.9 t -111.81 168.74 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.344 -0.848 . . . . 0.0 110.299 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.474 ' N ' HG12 ' A' ' 21' ' ' VAL . 7.4 t80 -140.04 113.26 8.35 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.229 -0.92 . . . . 0.0 110.198 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 -179.944 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.265 0.555 . . . . 0.0 110.177 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 12.2 mt -136.63 99.77 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.265 -0.897 . . . . 0.0 110.204 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.448 ' CG2' ' CE1' ' B' ' 8' ' ' TYR . 34.0 mt -71.17 117.63 14.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.31 -0.869 . . . . 0.0 110.202 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.23 120.94 37.44 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.252 -0.905 . . . . 0.0 110.171 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . 0.622 ' HB2' HG22 ' A' ' 19' ' ' THR . 1.9 m-85 -113.73 165.89 12.09 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.352 -0.842 . . . . 0.0 110.127 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . 0.495 ' CZ ' ' HG2' ' A' ' 18' ' ' GLN . 0.2 OUTLIER -149.51 135.23 18.63 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.209 -0.932 . . . . 0.0 110.327 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . 0.434 ' CG ' ' O ' ' B' ' 10' ' ' TYR . 28.3 t80 -114.87 38.09 3.26 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.247 -0.908 . . . . 0.0 110.251 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . 0.441 ' HB2' ' CD1' ' A' ' 16' ' ' LEU . 12.3 p30 . . . . . 0 N--CA 1.491 1.595 0 O-C-N 121.286 -0.884 . . . . 0.0 110.234 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.421 ' HB2' ' HB3' ' B' ' 9' ' ' PHE . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.268 0.556 . . . . 0.0 110.257 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -146.33 154.3 41.51 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.282 -0.886 . . . . 0.0 110.199 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -123.11 175.46 6.62 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.306 -0.871 . . . . 0.0 110.217 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 40.3 t . . . . . 0 N--CA 1.49 1.563 0 O-C-N 121.268 -0.895 . . . . 0.0 110.208 179.93 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' A' ' 6' ' ' ILE . 1.1 pt . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 121.215 0.531 . . . . 0.0 110.353 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.735 ' HA ' HG22 ' A' ' 21' ' ' VAL . 57.6 mt -43.55 150.67 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.322 -0.862 . . . . 0.0 109.728 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.441 ' HA ' ' HD2' ' A' ' 7' ' ' ARG . 3.0 tpt180 -163.15 110.48 1.21 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.109 -0.994 . . . . 0.0 110.588 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.56 ' CB ' ' O ' ' A' ' 18' ' ' GLN . 3.3 p90 -114.53 161.95 17.35 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.396 -0.815 . . . . 0.0 109.385 179.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.934 ' CE1' HD23 ' A' ' 16' ' ' LEU . 1.5 p90 -111.26 33.56 4.59 Favored 'General case' 0 N--CA 1.496 1.847 0 C-N-CA 118.339 -1.344 . . . . 0.0 110.951 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.598 ' CZ ' ' HB2' ' A' ' 12' ' ' ALA . 24.0 t80 1.05 -94.85 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.341 0 CA-C-O 121.346 0.594 . . . . 0.0 112.254 179.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.492 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 80.4 m-20 56.46 85.75 0.07 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.245 -0.91 . . . . 0.0 110.26 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.598 ' HB2' ' CZ ' ' A' ' 10' ' ' TYR . . . -74.43 -10.28 59.41 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.178 -0.951 . . . . 0.0 110.12 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.7 mttm -53.27 -75.02 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.225 -0.922 . . . . 0.0 109.459 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -72.32 -4.2 28.36 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.39 -0.818 . . . . 0.0 109.488 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.637 ' O ' HD12 ' A' ' 16' ' ' LEU . . . 78.49 70.83 1.28 Allowed Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.955 HD11 ' HB2' ' B' ' 11' ' ' ASN . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.634 0 O-C-N 121.359 -1.083 . . . . 0.0 110.113 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.652 ' HB3' ' CE2' ' A' ' 9' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.047 0.451 . . . . 0.0 110.363 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.471 ' HA ' ' HB3' ' A' ' 8' ' ' TYR . 10.9 m -115.23 94.7 4.84 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 121.173 0.511 . . . . 0.0 109.872 179.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -95.53 125.6 40.24 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.311 -0.868 . . . . 0.0 110.337 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.735 HG22 ' HA ' ' A' ' 6' ' ' ILE . 4.4 t -136.03 101.17 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.214 -0.929 . . . . 0.0 110.207 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.828 ' CD1' HG22 ' B' ' 5' ' ' ILE . 1.8 t80 -106.09 66.46 0.72 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.191 -0.943 . . . . 0.0 110.526 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.45 ' O ' ' HG2' ' B' ' 4' ' ' ARG . . . . . . . . 0 N--CA 1.491 2.361 0 N-CA-C 109.969 -1.252 . . . . 0.0 109.969 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . 0.531 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 3.2 tpt180 . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.281 0.562 . . . . 0.0 109.777 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.828 HG22 ' CD1' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -128.29 53.46 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.692 -0.63 . . . . 0.0 110.732 -179.743 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 1.016 HD12 HG21 ' B' ' 21' ' ' VAL . 1.0 OUTLIER -49.62 118.22 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.02 -1.05 . . . . 0.0 109.473 179.484 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' ARG . . . . . 0.542 ' HD3' ' CE1' ' B' ' 20' ' ' PHE . 0.0 OUTLIER -127.9 153.85 46.19 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.247 -0.908 . . . . 0.0 110.489 -179.617 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . 0.736 ' CD1' HG23 ' B' ' 19' ' ' THR . 94.9 m-85 -135.14 74.37 1.52 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.538 -0.726 . . . . 0.0 110.18 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . 0.573 ' CB ' ' HG3' ' A' ' 18' ' ' GLN . 5.6 t80 -89.92 127.78 36.09 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.167 -0.958 . . . . 0.0 110.434 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . 0.464 ' O ' ' O ' ' B' ' 11' ' ' ASN . 35.6 t80 -152.24 52.98 0.8 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.279 -0.888 . . . . 0.0 110.098 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . 0.955 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.656 0 O-C-N 121.334 -0.854 . . . . 0.0 110.243 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.592 ' HG2' ' CE2' ' B' ' 20' ' ' PHE . 4.0 tt0 . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.315 0.579 . . . . 0.0 110.373 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.736 HG23 ' CD1' ' B' ' 8' ' ' TYR . 23.4 m -111.36 85.77 2.19 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.265 -0.897 . . . . 0.0 109.61 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.592 ' CE2' ' HG2' ' B' ' 18' ' ' GLN . 4.6 p90 -150.41 162.73 40.0 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.095 -1.003 . . . . 0.0 111.06 -179.041 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 1.016 HG21 HD12 ' B' ' 6' ' ' ILE . 8.0 p . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.603 -0.686 . . . . 0.0 109.748 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.541 HG23 ' O ' ' A' ' 5' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 121.177 0.513 . . . . 0.0 110.229 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.434 HG22 ' CD1' ' A' ' 8' ' ' TYR . 17.8 mt -98.62 77.8 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.283 -0.885 . . . . 0.0 110.217 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -93.76 102.0 14.13 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.209 -0.932 . . . . 0.0 110.136 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.533 ' O ' ' CD1' ' A' ' 9' ' ' PHE . 31.1 p90 -134.52 177.16 7.99 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.224 -0.922 . . . . 0.0 110.23 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.533 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 11.8 m-85 -134.08 72.72 1.47 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.279 -0.888 . . . . 0.0 110.108 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -50.72 147.47 4.76 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.218 -0.926 . . . . 0.0 110.3 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.422 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 20.9 t-20 -164.81 76.49 0.3 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.294 -0.879 . . . . 0.0 110.059 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.58 -31.71 64.51 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.315 -0.866 . . . . 0.0 110.172 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.82 -71.6 0.06 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.175 -0.953 . . . . 0.0 109.238 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.21 -2.44 48.71 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.442 -0.786 . . . . 0.0 109.305 178.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.476 ' O ' ' O ' ' B' ' 11' ' ' ASN . . . 69.96 12.66 68.48 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.433 ' HA ' ' O ' ' B' ' 11' ' ' ASN . 1.6 tt . . . . . 0 N--CA 1.492 1.662 0 O-C-N 121.293 -1.122 . . . . 0.0 110.141 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.417 ' O ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.249 0.547 . . . . 0.0 110.124 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.461 ' HB ' ' O ' ' B' ' 8' ' ' TYR . 17.1 m -102.32 89.89 3.72 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.165 -0.96 . . . . 0.0 110.292 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.624 ' CE2' ' NH1' ' B' ' 7' ' ' ARG . 1.9 t80 -94.23 121.17 35.47 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.281 -0.887 . . . . 0.0 110.16 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.8 t -116.58 161.97 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.269 -0.895 . . . . 0.0 110.403 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.742 ' CE1' HD12 ' B' ' 5' ' ' ILE . 10.9 t80 -167.07 177.3 6.34 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.253 -0.905 . . . . 0.0 110.234 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.221 0 N-CA-C 109.476 -1.449 . . . . 0.0 109.476 179.907 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.576 0.703 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.742 HD12 ' CE1' ' A' ' 22' ' ' TYR . 9.9 tt -144.03 76.38 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 O-C-N 121.508 -0.745 . . . . 0.0 110.282 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.675 HD11 ' OH ' ' B' ' 8' ' ' TYR . 7.4 tt -110.24 174.07 2.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.302 -0.874 . . . . 0.0 110.112 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' ARG . . . . . 0.624 ' NH1' ' CE2' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -165.92 113.11 0.91 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.237 -0.914 . . . . 0.0 110.508 -179.9 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . 0.675 ' OH ' HD11 ' B' ' 6' ' ' ILE . 91.3 m-85 -101.33 123.92 46.2 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.422 -0.799 . . . . 0.0 109.9 179.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . 0.53 ' O ' ' CB ' ' B' ' 18' ' ' GLN . 11.8 t80 -150.58 94.1 2.05 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.022 -1.049 . . . . 0.0 110.916 -179.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . 0.597 ' CG ' ' N ' ' B' ' 11' ' ' ASN . 1.3 t80 -76.04 -87.33 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.952 -1.092 . . . . 0.0 109.704 179.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . 0.597 ' N ' ' CG ' ' B' ' 10' ' ' TYR . 4.3 t-20 . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.53 ' CB ' ' O ' ' B' ' 9' ' ' PHE . 1.7 tt0 . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.609 ' CG2' ' CE2' ' B' ' 8' ' ' TYR . 36.3 m -103.24 143.58 32.45 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.418 -0.801 . . . . 0.0 110.467 -179.461 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.449 ' O ' HG13 ' B' ' 6' ' ' ILE . 13.0 m-30 -103.27 123.32 46.55 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.358 -0.839 . . . . 0.0 110.073 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 38.5 t . . . . . 0 N--CA 1.491 1.618 0 O-C-N 121.198 -0.939 . . . . 0.0 110.2 -179.789 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.758 ' O ' HG23 ' A' ' 21' ' ' VAL . 5.8 mt . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 121.197 0.522 . . . . 0.0 110.221 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.584 ' N ' HG22 ' A' ' 5' ' ' ILE . 15.2 mm -143.89 115.47 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.197 -0.939 . . . . 0.0 110.297 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.418 ' HG3' ' C ' ' A' ' 6' ' ' ILE . 1.4 mtp-105 -129.68 111.28 12.51 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.254 -0.904 . . . . 0.0 110.156 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.751 ' HB3' HG23 ' A' ' 19' ' ' THR . 52.9 p90 -130.57 176.64 8.0 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.218 -0.926 . . . . 0.0 110.319 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.466 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 30.6 m-85 -146.3 89.53 1.87 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.307 -0.871 . . . . 0.0 110.184 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.426 ' C ' ' O ' ' A' ' 9' ' ' PHE . 33.6 t80 -42.42 106.86 0.07 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.312 -0.868 . . . . 0.0 110.351 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.422 ' HB3' ' OD1' ' A' ' 14' ' ' ASP . 1.0 OUTLIER -106.11 96.23 6.33 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.256 -0.903 . . . . 0.0 110.144 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.97 -26.7 59.78 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.166 -0.959 . . . . 0.0 110.243 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -50.85 -75.54 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.231 -0.918 . . . . 0.0 109.372 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 31.5 p-10 -78.44 0.52 25.5 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.4 -0.813 . . . . 0.0 109.476 178.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.917 ' O ' HD22 ' A' ' 16' ' ' LEU . . . 57.97 62.18 6.59 Favored Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.367 -1.493 . . . . 0.0 109.367 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.917 HD22 ' O ' ' A' ' 15' ' ' GLY . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.29 -1.124 . . . . 0.0 110.111 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.509 ' N ' ' O ' ' A' ' 16' ' ' LEU . 1.6 tt0 . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.214 0.53 . . . . 0.0 110.544 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.751 HG23 ' HB3' ' A' ' 8' ' ' TYR . 17.3 m -116.59 90.46 3.34 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.309 -0.869 . . . . 0.0 109.812 179.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.594 ' CD2' ' HD2' ' B' ' 7' ' ' ARG . 0.2 OUTLIER -89.53 124.28 34.38 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.32 -0.862 . . . . 0.0 110.387 -179.663 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.987 HG13 HG23 ' B' ' 6' ' ' ILE . 1.9 p -121.6 158.95 24.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.288 -0.882 . . . . 0.0 110.262 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.513 ' HA ' ' HA ' ' B' ' 5' ' ' ILE . 19.6 t80 -114.18 112.65 23.52 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.25 -0.906 . . . . 0.0 110.027 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.201 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 -179.849 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . 0.404 ' HA ' ' HD3' ' B' ' 4' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.236 0.541 . . . . 0.0 110.226 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.513 ' HA ' ' HA ' ' A' ' 22' ' ' TYR . 15.2 mt -82.61 86.66 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.138 -0.976 . . . . 0.0 110.113 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.987 HG23 HG13 ' A' ' 21' ' ' VAL . 2.0 tt -54.01 133.46 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.174 -0.954 . . . . 0.0 110.091 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' ARG . . . . . 0.594 ' HD2' ' CD2' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -102.32 96.73 7.15 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.164 -0.96 . . . . 0.0 110.273 -179.812 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . 0.661 ' CE2' HG21 ' B' ' 19' ' ' THR . 0.3 OUTLIER -80.11 63.41 4.6 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.249 -0.907 . . . . 0.0 110.129 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . 0.696 ' CE1' HD12 ' A' ' 16' ' ' LEU . 78.7 t80 -89.96 118.7 29.73 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.254 -0.904 . . . . 0.0 109.941 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . 0.575 ' CE1' ' O ' ' B' ' 11' ' ' ASN . 7.5 t80 -124.38 146.61 48.76 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.261 -0.9 . . . . 0.0 110.535 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . 0.715 ' ND2' HD21 ' A' ' 16' ' ' LEU . 12.3 t-20 . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.389 -0.819 . . . . 0.0 109.613 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.519 ' CB ' ' O ' ' B' ' 9' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.294 0.569 . . . . 0.0 110.144 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.661 HG21 ' CE2' ' B' ' 8' ' ' TYR . 21.5 p -105.8 125.34 50.88 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.19 -0.944 . . . . 0.0 110.239 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.508 ' CZ ' ' HG2' ' B' ' 7' ' ' ARG . 35.2 p90 -150.12 154.64 38.41 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.267 -0.896 . . . . 0.0 110.308 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.946 HG12 ' HA ' ' B' ' 6' ' ' ILE . 4.2 m . . . . . 0 N--CA 1.493 1.693 0 O-C-N 121.321 -0.862 . . . . 0.0 110.107 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.675 HG23 ' O ' ' A' ' 5' ' ' ILE . 6.8 tt . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.291 0.567 . . . . 0.0 110.221 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.684 ' HA ' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -56.7 84.31 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.255 -0.903 . . . . 0.0 110.283 -179.858 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.503 ' CB ' ' O ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -75.19 81.95 2.34 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.246 -0.909 . . . . 0.0 109.963 179.758 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.823 ' CE1' HG23 ' A' ' 19' ' ' THR . 6.8 m-85 -96.98 125.77 41.64 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.244 -0.91 . . . . 0.0 110.51 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.523 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 17.5 m-85 -141.97 125.91 17.19 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.288 -0.882 . . . . 0.0 109.785 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.496 ' HA ' ' O ' ' A' ' 16' ' ' LEU . 11.9 t80 -120.71 148.87 43.36 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.179 -0.951 . . . . 0.0 110.731 -179.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.47 ' O ' ' N ' ' A' ' 15' ' ' GLY . 48.2 t-20 -137.07 90.23 2.51 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.451 -0.781 . . . . 0.0 109.882 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.55 -36.79 36.15 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.34 -0.85 . . . . 0.0 110.338 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.503 ' HE3' ' CA ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -49.11 -80.65 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.158 -0.964 . . . . 0.0 109.371 179.783 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -74.69 -2.0 24.33 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.356 -0.84 . . . . 0.0 109.362 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 11' ' ' ASN . . . 60.21 71.11 0.83 Allowed Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.496 ' O ' ' HA ' ' A' ' 10' ' ' TYR . 1.5 tt . . . . . 0 N--CA 1.492 1.643 0 O-C-N 121.233 -1.157 . . . . 0.0 110.293 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.456 ' HG3' ' CE2' ' A' ' 20' ' ' PHE . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.108 0.48 . . . . 0.0 110.021 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.823 HG23 ' CE1' ' A' ' 8' ' ' TYR . 20.2 m -147.42 64.96 1.14 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.274 -0.891 . . . . 0.0 110.349 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.575 ' CD1' ' HG2' ' B' ' 7' ' ' ARG . 14.5 m-30 -90.89 151.67 21.04 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.279 -0.888 . . . . 0.0 110.055 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.718 HG22 HG13 ' B' ' 6' ' ' ILE . 13.0 m -143.03 -162.74 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.15 -0.968 . . . . 0.0 110.413 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.431 ' CD2' HG13 ' B' ' 5' ' ' ILE . 3.3 t80 -176.59 94.57 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.233 -0.917 . . . . 0.0 110.15 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' B' ' 4' ' ' ARG . . . . . . . . 0 N--CA 1.491 2.339 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . 0.448 ' O ' ' O ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.252 0.549 . . . . 0.0 110.191 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.764 ' C ' HD13 ' B' ' 5' ' ' ILE . 0.0 OUTLIER -154.5 137.24 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.289 -0.882 . . . . 0.0 110.272 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.718 HG13 HG22 ' A' ' 21' ' ' VAL . 34.1 pt -123.56 151.01 27.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.327 -0.858 . . . . 0.0 110.017 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' ARG . . . . . 0.575 ' HG2' ' CD1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -113.27 73.35 0.81 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.278 -0.889 . . . . 0.0 110.411 -179.902 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . 0.484 ' HB2' ' O ' ' A' ' 19' ' ' THR . 1.0 OUTLIER -64.93 142.94 58.26 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.135 -0.978 . . . . 0.0 109.972 179.716 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . 0.522 ' HB3' ' CB ' ' B' ' 18' ' ' GLN . 0.2 OUTLIER -143.92 91.17 2.2 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.129 -0.982 . . . . 0.0 110.334 -179.778 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . 0.474 ' O ' ' O ' ' B' ' 11' ' ' ASN . 30.2 t80 -54.68 -72.34 0.07 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.24 -0.912 . . . . 0.0 110.338 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . 0.509 ' ND2' ' OE1' ' B' ' 18' ' ' GLN . 2.1 p30 . . . . . 0 N--CA 1.494 1.736 0 O-C-N 121.433 -0.792 . . . . 0.0 110.44 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.522 ' CB ' ' HB3' ' B' ' 9' ' ' PHE . 17.7 mt-30 . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 121.307 0.575 . . . . 0.0 110.182 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.522 HG22 HG13 ' B' ' 21' ' ' VAL . 85.9 m -104.0 135.93 44.59 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.219 -0.926 . . . . 0.0 110.286 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.477 ' CD1' ' C ' ' B' ' 19' ' ' THR . 3.5 m-85 -120.69 90.49 3.33 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.232 -0.917 . . . . 0.0 110.045 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.586 HG23 ' O ' ' B' ' 21' ' ' VAL . 14.6 m . . . . . 0 N--CA 1.491 1.578 0 O-C-N 121.26 -0.9 . . . . 0.0 110.372 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.613 HG22 ' H ' ' A' ' 6' ' ' ILE . 22.5 mt . . . . . 0 N--CA 1.494 1.74 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.613 ' H ' HG22 ' A' ' 5' ' ' ILE . 2.5 mt -40.05 94.24 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.329 -0.857 . . . . 0.0 110.51 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.638 ' CB ' ' CE2' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -125.29 135.47 52.53 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.302 -0.874 . . . . 0.0 110.177 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.716 ' CZ ' HG23 ' A' ' 19' ' ' THR . 9.6 m-85 -126.14 110.02 13.02 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.422 -0.799 . . . . 0.0 110.293 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.529 ' CD1' ' N ' ' A' ' 9' ' ' PHE . 14.7 m-85 -128.05 92.67 3.5 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.237 -0.915 . . . . 0.0 109.818 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.424 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 8.9 t80 -97.46 85.33 3.61 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.269 -0.894 . . . . 0.0 110.612 -179.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.504 ' ND2' ' OD1' ' A' ' 14' ' ' ASP . 23.1 p30 -68.23 115.4 7.64 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.255 -0.903 . . . . 0.0 109.516 179.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.46 -23.5 66.28 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.288 -0.883 . . . . 0.0 110.302 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.85 -72.78 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.156 -0.965 . . . . 0.0 109.112 179.55 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.504 ' OD1' ' ND2' ' A' ' 11' ' ' ASN . 17.0 p-10 -87.67 0.28 55.9 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.4 -0.813 . . . . 0.0 109.165 178.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.22 67.09 2.31 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.84 HD12 ' O ' ' B' ' 10' ' ' TYR . 20.2 tp . . . . . 0 N--CA 1.493 1.703 0 O-C-N 121.123 -1.222 . . . . 0.0 110.364 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.525 ' HA ' ' CB ' ' B' ' 9' ' ' PHE . 18.7 tt0 . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.363 0.601 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.716 HG23 ' CZ ' ' A' ' 8' ' ' TYR . 1.2 m -115.76 101.31 8.7 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.443 -0.786 . . . . 0.0 109.835 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.638 ' CE2' ' CB ' ' A' ' 7' ' ' ARG . 2.5 p90 -116.53 117.85 31.01 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.957 -1.089 . . . . 0.0 109.75 179.617 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.77 HG23 ' O ' ' A' ' 21' ' ' VAL . 15.7 m -113.52 91.3 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.286 -0.884 . . . . 0.0 110.525 -179.115 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.808 ' HB2' HG22 ' B' ' 6' ' ' ILE . 0.4 OUTLIER 159.75 92.27 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -179.854 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.277 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 -179.187 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . 0.606 ' HB2' ' CD2' ' A' ' 22' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 121.227 0.537 . . . . 0.0 110.312 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.804 ' H ' HD13 ' B' ' 5' ' ' ILE . 0.1 OUTLIER -143.19 124.73 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.262 -0.899 . . . . 0.0 110.582 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.808 HG22 ' HB2' ' A' ' 22' ' ' TYR . 2.3 tt -153.02 119.07 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.18 -0.95 . . . . 0.0 110.063 179.532 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' ARG . . . . . 0.536 ' HB2' ' CD2' ' B' ' 20' ' ' PHE . 2.6 mmm180 -100.69 102.5 13.62 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.415 -0.803 . . . . 0.0 110.866 -179.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . 0.651 ' CE2' HG21 ' B' ' 19' ' ' THR . 0.2 OUTLIER -102.95 100.47 10.43 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.449 -0.782 . . . . 0.0 109.181 179.246 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . 0.525 ' CB ' ' HA ' ' A' ' 18' ' ' GLN . 11.2 p90 -142.25 159.3 42.51 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.684 -1.26 . . . . 0.0 111.881 -178.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . 0.84 ' O ' HD12 ' A' ' 16' ' ' LEU . 8.6 t80 -124.11 -176.0 3.38 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . 0.458 ' HB3' ' O ' ' B' ' 10' ' ' TYR . 0.9 OUTLIER . . . . . 0 N--CA 1.493 1.694 0 O-C-N 120.991 -1.068 . . . . 0.0 110.726 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.421 ' HA ' ' OE1' ' B' ' 18' ' ' GLN . 1.2 tp-100 . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.516 0.674 . . . . 0.0 110.437 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.651 HG21 ' CE2' ' B' ' 8' ' ' TYR . 16.2 m -138.43 114.68 10.28 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.441 -0.787 . . . . 0.0 109.795 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.536 ' CD2' ' HB2' ' B' ' 7' ' ' ARG . 5.8 m-85 -89.79 134.3 34.26 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.241 -0.912 . . . . 0.0 110.5 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.599 HG13 ' O ' ' B' ' 21' ' ' VAL . 7.3 p . . . . . 0 N--CA 1.492 1.634 0 O-C-N 121.318 -0.864 . . . . 0.0 110.107 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.591 HG22 ' HE1' ' A' ' 22' ' ' TYR . 20.4 tt . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 121.193 0.52 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.893 ' HA ' HG22 ' A' ' 21' ' ' VAL . 77.9 mt -136.42 72.84 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.28 -0.888 . . . . 0.0 110.364 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.602 ' HG2' ' CE2' ' A' ' 9' ' ' PHE . 38.5 ttt-85 -59.22 81.52 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.154 -0.966 . . . . 0.0 109.954 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.577 ' O ' ' CD1' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -116.97 148.71 41.18 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.189 -0.944 . . . . 0.0 109.942 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.602 ' CE2' ' HG2' ' A' ' 7' ' ' ARG . 43.1 m-85 -143.28 53.81 1.35 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.16 -0.962 . . . . 0.0 110.926 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.578 ' CZ ' ' OD1' ' A' ' 11' ' ' ASN . 24.1 t80 58.97 175.43 0.07 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.234 -0.916 . . . . 0.0 111.003 179.141 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.599 ' O ' ' N ' ' A' ' 15' ' ' GLY . 20.1 p-10 -90.89 -33.55 15.59 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.586 -0.697 . . . . 0.0 112.062 -178.095 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.542 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . . . -29.2 -51.02 0.1 Allowed 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.753 -0.592 . . . . 0.0 111.955 -178.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.432 ' HE2' ' NE2' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -44.06 -85.2 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.029 -1.044 . . . . 0.0 110.17 -179.831 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.617 ' O ' HD23 ' A' ' 16' ' ' LEU . 1.8 m-20 -85.28 7.12 23.37 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.381 -0.825 . . . . 0.0 109.509 179.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.599 ' N ' ' O ' ' A' ' 11' ' ' ASN . . . 88.46 -18.85 39.52 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.899 -1.28 . . . . 0.0 109.899 -179.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.912 HD12 ' CD1' ' B' ' 9' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.498 1.948 0 O-C-N 121.071 -1.252 . . . . 0.0 110.261 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.512 ' O ' ' HA ' ' A' ' 8' ' ' TYR . 1.9 mt-30 . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.079 0.466 . . . . 0.0 110.032 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.481 ' OG1' ' HB2' ' A' ' 8' ' ' TYR . 17.4 m -152.7 91.17 1.53 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.3 -0.875 . . . . 0.0 110.359 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.575 ' CD1' ' HD3' ' B' ' 7' ' ' ARG . 5.4 t80 -89.67 126.39 35.62 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.278 -0.889 . . . . 0.0 110.086 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.893 HG22 ' HA ' ' A' ' 6' ' ' ILE . 75.6 t -139.15 159.22 29.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.216 -0.927 . . . . 0.0 110.512 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.609 ' CG ' ' O ' ' A' ' 22' ' ' TYR . 3.3 p90 -155.44 110.34 2.97 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.247 -0.908 . . . . 0.0 109.956 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.479 ' O ' ' HB2' ' B' ' 4' ' ' ARG . . . . . . . . 0 N--CA 1.49 2.263 0 N-CA-C 109.667 -1.373 . . . . 0.0 109.667 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . 0.482 ' CD ' ' N ' ' B' ' 4' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.786 0 CA-C-O 121.331 0.586 . . . . 0.0 110.058 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.464 HG23 ' O ' ' B' ' 5' ' ' ILE . 3.6 tt -112.77 116.69 53.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.315 -0.866 . . . . 0.0 110.057 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.455 ' O ' ' O ' ' A' ' 21' ' ' VAL . 84.4 mt -116.75 125.4 73.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.157 -0.965 . . . . 0.0 110.476 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' ARG . . . . . 0.575 ' HD3' ' CD1' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -88.04 105.14 17.28 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.25 -0.906 . . . . 0.0 110.071 179.758 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . 0.459 ' O ' ' O ' ' A' ' 19' ' ' THR . 1.7 m-85 -80.31 120.23 24.09 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.204 -0.935 . . . . 0.0 110.345 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . 0.912 ' CD1' HD12 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -118.95 37.21 4.18 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.262 -0.899 . . . . 0.0 109.973 179.888 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . 0.566 ' CG ' ' O ' ' B' ' 10' ' ' TYR . 0.9 OUTLIER -51.54 122.29 7.79 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.406 -0.809 . . . . 0.0 110.368 -179.685 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . 0.478 ' HB2' ' HB2' ' A' ' 16' ' ' LEU . 28.2 t30 . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.273 -0.892 . . . . 0.0 110.233 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.536 ' CB ' ' HB3' ' B' ' 9' ' ' PHE . 4.8 mt-30 . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.315 0.579 . . . . 0.0 109.975 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.497 ' HA ' ' O ' ' B' ' 7' ' ' ARG . 8.4 t -89.77 161.78 15.86 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.238 -0.914 . . . . 0.0 110.291 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.473 ' CD1' ' N ' ' B' ' 20' ' ' PHE . 14.3 m-85 -102.89 178.42 4.57 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.262 -0.899 . . . . 0.0 110.281 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.675 HG23 ' O ' ' B' ' 21' ' ' VAL . 35.6 m . . . . . 0 N--CA 1.492 1.653 0 O-C-N 121.22 -0.925 . . . . 0.0 110.243 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.669 HG23 ' N ' ' A' ' 6' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.657 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.838 ' HA ' HG22 ' A' ' 21' ' ' VAL . 15.1 mt -155.5 116.07 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.106 -0.996 . . . . 0.0 110.659 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.2 128.39 55.05 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.408 -0.808 . . . . 0.0 109.597 179.439 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.813 ' HB3' HG23 ' A' ' 19' ' ' THR . 8.6 p90 -152.2 177.35 10.62 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.097 -1.002 . . . . 0.0 111.021 -179.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.402 ' CD1' ' C ' ' A' ' 8' ' ' TYR . 1.1 m-85 -134.16 -160.28 1.04 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.577 -0.702 . . . . 0.0 109.195 179.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -150.96 123.24 8.33 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.175 -0.953 . . . . 0.0 110.271 179.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.485 ' HB2' ' O ' ' A' ' 16' ' ' LEU . 1.7 m-20 -125.13 77.93 1.67 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.275 -0.891 . . . . 0.0 109.951 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.566 ' O ' ' N ' ' A' ' 14' ' ' ASP . . . -60.53 -135.84 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.299 -0.875 . . . . 0.0 109.913 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 22.4 mttp 66.32 -60.14 0.32 Allowed 'General case' 0 N--CA 1.495 1.806 0 CA-C-O 122.013 0.911 . . . . 0.0 109.062 -179.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.566 ' N ' ' O ' ' A' ' 12' ' ' ALA . 30.0 m-20 -113.47 3.13 15.65 Favored 'General case' 0 C--N 1.293 -1.848 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 178.332 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.42 72.12 0.86 Allowed Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.774 -1.331 . . . . 0.0 109.774 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.53 HD12 ' OD1' ' B' ' 11' ' ' ASN . 5.2 tt . . . . . 0 N--CA 1.491 1.593 0 O-C-N 121.183 -1.187 . . . . 0.0 110.19 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.453 ' O ' ' HB2' ' A' ' 8' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 121.342 0.591 . . . . 0.0 110.208 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.813 HG23 ' HB3' ' A' ' 8' ' ' TYR . 50.6 m -148.89 83.41 1.45 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.241 -0.912 . . . . 0.0 110.012 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -89.35 134.52 34.04 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.275 -0.891 . . . . 0.0 110.08 -179.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.838 HG22 ' HA ' ' A' ' 6' ' ' ILE . 99.5 t -130.76 172.02 16.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.417 -0.802 . . . . 0.0 110.024 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.574 ' N ' HG12 ' A' ' 21' ' ' VAL . 10.3 t80 -166.58 135.56 2.95 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.329 -0.857 . . . . 0.0 110.059 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.324 0 N-CA-C 109.615 -1.394 . . . . 0.0 109.615 -179.771 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 . . . . . 0 N--CA 1.492 1.625 0 CA-C-O 121.388 0.613 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.926 ' O ' HG11 ' B' ' 21' ' ' VAL . 3.1 mt -113.38 170.54 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.32 -0.863 . . . . 0.0 109.948 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.545 ' N ' HG22 ' B' ' 5' ' ' ILE . 7.0 mm -139.29 127.74 27.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.223 -0.923 . . . . 0.0 110.31 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' ARG . . . . . 0.517 ' O ' ' NE2' ' B' ' 18' ' ' GLN . 0.0 OUTLIER -113.55 91.21 3.56 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.281 -0.887 . . . . 0.0 109.847 179.626 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . 0.634 ' CE1' ' CG2' ' B' ' 19' ' ' THR . 0.5 OUTLIER -98.69 139.13 34.86 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.382 -0.824 . . . . 0.0 110.288 -179.695 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . 0.492 ' HB3' ' OE1' ' B' ' 18' ' ' GLN . 46.2 t80 -150.49 98.06 2.6 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.158 -0.964 . . . . 0.0 110.164 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . 0.451 ' O ' ' HB2' ' B' ' 11' ' ' ASN . 16.9 t80 -66.35 135.25 54.09 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.22 -0.925 . . . . 0.0 110.31 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . 0.53 ' OD1' HD12 ' A' ' 16' ' ' LEU . 33.0 t30 . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.507 -0.746 . . . . 0.0 109.497 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.517 ' NE2' ' O ' ' B' ' 7' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.073 0.463 . . . . 0.0 109.782 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.634 ' CG2' ' CE1' ' B' ' 8' ' ' TYR . 20.5 m -160.6 97.43 1.2 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.961 -1.087 . . . . 0.0 110.858 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.582 ' CD1' ' O ' ' B' ' 20' ' ' PHE . 28.3 p90 -150.19 134.12 16.9 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.298 -0.876 . . . . 0.0 109.882 179.274 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.926 HG11 ' O ' ' B' ' 5' ' ' ILE . 11.0 p . . . . . 0 N--CA 1.492 1.662 0 O-C-N 121.264 -0.898 . . . . 0.0 110.491 -179.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 21.6 mm . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 121.296 0.57 . . . . 0.0 110.341 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.919 HD11 ' CE1' ' A' ' 8' ' ' TYR . 1.5 tt -98.5 131.88 44.74 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.203 -0.936 . . . . 0.0 110.136 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.443 ' O ' ' HA ' ' A' ' 19' ' ' THR . 0.6 OUTLIER -110.86 102.81 11.29 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.173 -0.954 . . . . 0.0 110.151 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.919 ' CE1' HD11 ' A' ' 6' ' ' ILE . 4.8 m-85 -114.16 132.93 55.91 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.296 -0.878 . . . . 0.0 110.189 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.414 ' O ' ' N ' ' A' ' 11' ' ' ASN . 48.0 m-85 -146.99 68.74 1.16 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.234 -0.916 . . . . 0.0 110.207 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -62.56 82.86 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.244 -0.91 . . . . 0.0 110.216 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.473 ' O ' ' N ' ' A' ' 15' ' ' GLY . 1.0 OUTLIER -85.91 81.71 8.43 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.241 -0.912 . . . . 0.0 110.172 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.99 -38.28 72.83 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.285 -0.884 . . . . 0.0 110.221 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.414 ' HG2' ' N ' ' A' ' 14' ' ' ASP . 33.6 ttmt -49.17 -81.09 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.166 -0.959 . . . . 0.0 109.415 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.414 ' N ' ' HG2' ' A' ' 13' ' ' LYS . 30.6 t0 -73.59 -2.88 24.74 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.225 -0.922 . . . . 0.0 109.445 178.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 11' ' ' ASN . . . 61.55 73.45 0.5 Allowed Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.852 HD11 ' OD1' ' B' ' 11' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.266 -1.138 . . . . 0.0 110.207 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.589 ' CG ' HD23 ' A' ' 16' ' ' LEU . 4.3 mt-30 . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.154 0.502 . . . . 0.0 110.259 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.754 HG21 ' CE2' ' B' ' 8' ' ' TYR . 2.6 m -140.29 81.06 1.79 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.268 -0.895 . . . . 0.0 110.284 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.598 ' CE1' ' HB3' ' B' ' 9' ' ' PHE . 60.6 m-85 -102.76 120.05 39.91 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.285 -0.884 . . . . 0.0 110.11 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.535 HG22 ' HA ' ' A' ' 6' ' ' ILE . 5.5 t -146.52 100.07 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.132 -0.98 . . . . 0.0 109.971 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.638 ' CD1' ' HA ' ' B' ' 5' ' ' ILE . 15.6 p90 -179.17 137.36 0.14 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.274 -0.891 . . . . 0.0 110.108 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 22' ' ' TYR . . . . . . . . 0 N--CA 1.49 2.295 0 N-CA-C 109.759 -1.336 . . . . 0.0 109.759 -179.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . 0.454 ' O ' ' HB2' ' A' ' 22' ' ' TYR . 30.0 mmt-85 . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.26 0.553 . . . . 0.0 110.345 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.762 ' O ' HD12 ' B' ' 5' ' ' ILE . 0.9 OUTLIER -126.26 46.76 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.331 -0.856 . . . . 0.0 110.105 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.535 ' CG2' ' O ' ' A' ' 21' ' ' VAL . 6.5 tp -89.53 131.24 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.052 -1.03 . . . . 0.0 111.136 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' ARG . . . . . 0.606 ' O ' ' CD1' ' B' ' 20' ' ' PHE . 8.8 ptt-85 -160.94 120.36 2.63 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.515 -0.741 . . . . 0.0 110.105 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . 0.821 ' HB3' HG23 ' B' ' 19' ' ' THR . 1.2 p90 -132.18 148.67 52.48 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.952 -1.093 . . . . 0.0 110.374 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . 0.598 ' HB3' ' CE1' ' A' ' 20' ' ' PHE . 13.5 p90 -150.17 129.27 12.69 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.292 -0.88 . . . . 0.0 110.449 -179.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . 0.428 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 5.4 t80 -89.42 158.32 17.79 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.381 -0.825 . . . . 0.0 110.177 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . 0.852 ' OD1' HD11 ' A' ' 16' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.624 0 O-C-N 121.281 -0.887 . . . . 0.0 110.126 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.54 0.686 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.821 HG23 ' HB3' ' B' ' 8' ' ' TYR . 1.8 m -130.14 143.55 50.85 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.503 -0.748 . . . . 0.0 109.735 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.606 ' CD1' ' O ' ' B' ' 7' ' ' ARG . 5.5 m-85 -89.66 156.72 18.38 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.175 -0.953 . . . . 0.0 109.858 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.62 HG23 ' O ' ' B' ' 21' ' ' VAL . 30.3 m . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.197 -0.939 . . . . 0.0 110.274 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.651 ' O ' HG22 ' A' ' 6' ' ' ILE . 5.8 mt . . . . . 0 N--CA 1.493 1.689 0 CA-C-O 121.008 0.432 . . . . 0.0 110.234 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.815 ' H ' HG23 ' A' ' 21' ' ' VAL . 2.6 tt 39.66 45.41 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.533 -0.729 . . . . 0.0 110.684 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.526 ' CB ' ' O ' ' A' ' 20' ' ' PHE . 1.2 mtp180 -74.26 77.2 1.82 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.325 -0.859 . . . . 0.0 109.947 179.447 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.557 ' O ' ' CD1' ' A' ' 9' ' ' PHE . 32.4 p90 -107.46 166.87 10.34 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.231 -0.918 . . . . 0.0 110.367 -179.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.557 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 43.8 m-85 -149.95 -166.7 2.62 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.324 -0.86 . . . . 0.0 110.051 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -131.81 127.3 36.35 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.27 -0.894 . . . . 0.0 110.231 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 15' ' ' GLY . 1.2 m120 -123.23 91.77 3.55 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.255 -0.903 . . . . 0.0 110.187 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.15 -35.5 75.46 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.266 -0.896 . . . . 0.0 110.215 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.8 -69.49 0.11 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.274 -0.891 . . . . 0.0 109.337 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -79.34 -4.44 50.9 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.462 -0.774 . . . . 0.0 109.334 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 11' ' ' ASN . . . 56.67 59.51 10.66 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.667 -1.373 . . . . 0.0 109.667 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.792 HD13 ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.618 0 O-C-N 121.28 -1.129 . . . . 0.0 110.273 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.603 ' HG3' ' CZ ' ' B' ' 9' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.75 0 CA-C-O 121.358 0.599 . . . . 0.0 110.993 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.476 ' HB ' ' HB2' ' B' ' 8' ' ' TYR . 25.0 m -123.68 64.97 1.03 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.513 -0.742 . . . . 0.0 109.688 179.441 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.644 ' CE1' ' CB ' ' A' ' 22' ' ' TYR . 0.9 OUTLIER -89.7 116.67 27.99 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.403 -0.81 . . . . 0.0 110.243 -179.527 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.815 HG23 ' H ' ' A' ' 6' ' ' ILE . 7.3 p -102.08 99.92 9.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.094 -1.004 . . . . 0.0 109.809 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.644 ' CB ' ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -147.76 112.23 5.29 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.301 -0.874 . . . . 0.0 109.801 -179.389 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.855 ' H ' HD12 ' B' ' 5' ' ' ILE . . . . . . . . 0 N--CA 1.492 2.395 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . 0.632 ' O ' ' CB ' ' B' ' 5' ' ' ILE . 4.6 mpt_? . . . . . 0 N--CA 1.489 1.493 0 CA-C-O 120.348 0.118 . . . . 0.0 110.763 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.855 HD12 ' H ' ' A' ' 23' ' ' GLY . 54.0 mt 109.54 167.41 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.514 2.764 0 C-N-CA 124.256 1.023 . . . . 0.0 109.578 -179.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.648 HG21 ' CE1' ' B' ' 8' ' ' TYR . 4.6 mt -58.94 160.72 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 CA-C-O 122.113 0.959 . . . . 0.0 112.32 -178.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' ARG . . . . . 0.597 ' HD3' ' CZ ' ' A' ' 20' ' ' PHE . 24.5 ttp85 -139.53 113.11 8.45 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.531 -0.73 . . . . 0.0 109.715 179.13 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . 0.648 ' CE1' HG21 ' B' ' 6' ' ' ILE . 36.9 m-85 -98.72 146.4 25.93 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.443 -0.786 . . . . 0.0 109.96 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . 0.603 ' CZ ' ' HG3' ' A' ' 18' ' ' GLN . 0.4 OUTLIER -140.52 53.79 1.61 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.188 -0.945 . . . . 0.0 110.502 -179.784 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . 0.585 ' O ' ' HB2' ' B' ' 11' ' ' ASN . 31.9 t80 -53.75 -171.98 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.176 -0.953 . . . . 0.0 108.718 179.084 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . 0.591 ' HA ' HD23 ' A' ' 16' ' ' LEU . 19.0 t-20 . . . . . 0 N--CA 1.5 2.048 0 O-C-N 121.429 -0.795 . . . . 0.0 109.642 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.447 ' HB2' ' HB3' ' B' ' 9' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.313 0.578 . . . . 0.0 110.28 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.51 ' HA ' ' O ' ' B' ' 7' ' ' ARG . 29.6 m -136.05 136.71 40.45 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.25 -0.906 . . . . 0.0 110.037 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.558 ' CE1' ' NH2' ' B' ' 7' ' ' ARG . 7.8 m-85 -113.71 -165.38 1.0 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.111 -0.993 . . . . 0.0 110.432 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.491 1.587 0 O-C-N 121.31 -0.869 . . . . 0.0 109.87 179.829 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.418 ' HA ' HD13 ' A' ' 5' ' ' ILE . 31.8 mm . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.27 0.557 . . . . 0.0 109.949 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.527 ' HA ' HG22 ' A' ' 21' ' ' VAL . 41.4 mm -87.63 96.69 5.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.31 -0.869 . . . . 0.0 110.462 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -110.58 124.79 52.53 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.266 -0.896 . . . . 0.0 109.924 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.498 ' O ' ' CD1' ' A' ' 9' ' ' PHE . 29.2 p90 -136.92 173.21 11.94 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.112 -0.993 . . . . 0.0 110.575 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.498 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 19.1 m-85 -137.75 95.46 3.05 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.422 -0.799 . . . . 0.0 109.917 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.428 ' C ' ' O ' ' A' ' 9' ' ' PHE . 0.5 OUTLIER -41.81 116.66 0.82 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.303 -0.873 . . . . 0.0 110.49 -179.803 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.47 ' O ' ' O ' ' A' ' 12' ' ' ALA . 0.7 OUTLIER -114.21 83.61 1.9 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.313 -0.867 . . . . 0.0 109.992 179.777 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.525 ' O ' ' N ' ' A' ' 14' ' ' ASP . . . -60.31 -136.56 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.279 -0.888 . . . . 0.0 110.168 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.471 ' CB ' ' O ' ' A' ' 12' ' ' ALA . 12.6 tttt 67.87 -59.74 0.42 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.252 -0.905 . . . . 0.0 108.858 -179.362 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.525 ' N ' ' O ' ' A' ' 12' ' ' ALA . 24.0 p30 -121.74 9.11 10.06 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 108.369 -0.975 . . . . 0.0 108.369 178.325 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.71 52.5 52.63 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.656 HD21 ' HZ ' ' B' ' 9' ' ' PHE . 2.0 tp . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.192 -1.181 . . . . 0.0 110.031 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.479 ' HG2' ' CE1' ' B' ' 9' ' ' PHE . 3.2 mt-30 . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.206 0.527 . . . . 0.0 110.001 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.469 ' HB ' ' O ' ' B' ' 8' ' ' TYR . 69.1 m -127.5 101.9 6.63 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.144 -0.973 . . . . 0.0 110.488 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -94.71 130.37 41.24 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.282 -0.886 . . . . 0.0 109.949 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.565 HG21 ' CD2' ' B' ' 8' ' ' TYR . 25.4 t -119.99 167.84 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.208 -0.933 . . . . 0.0 110.446 -179.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.593 ' CE1' HG12 ' B' ' 5' ' ' ILE . 81.8 t80 -151.76 78.31 1.25 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.351 -0.843 . . . . 0.0 109.922 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.464 ' O ' ' O ' ' B' ' 4' ' ' ARG . . . . . . . . 0 N--CA 1.49 2.286 0 N-CA-C 109.861 -1.296 . . . . 0.0 109.861 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . 0.464 ' O ' ' O ' ' A' ' 23' ' ' GLY . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.342 0.591 . . . . 0.0 110.194 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.593 HG12 ' CE1' ' A' ' 22' ' ' TYR . 19.8 mt -109.05 120.34 60.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.245 -0.909 . . . . 0.0 110.505 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.67 HD12 ' OH ' ' B' ' 8' ' ' TYR . 10.8 pt -118.54 160.89 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.307 -0.87 . . . . 0.0 109.611 179.459 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' ARG . . . . . 0.559 ' HD2' ' CE1' ' B' ' 20' ' ' PHE . 0.1 OUTLIER -145.95 145.57 30.71 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.075 -1.015 . . . . 0.0 110.742 -179.581 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . 0.847 ' CD1' HG23 ' B' ' 19' ' ' THR . 18.6 m-85 -123.28 61.46 1.04 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.472 -0.768 . . . . 0.0 109.603 179.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . 0.656 ' HZ ' HD21 ' A' ' 16' ' ' LEU . 3.1 t80 -89.65 101.26 13.95 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.353 -0.842 . . . . 0.0 110.557 -179.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -114.99 -156.9 0.62 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.329 -0.857 . . . . 0.0 109.561 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 12.5 p30 . . . . . 0 N--CA 1.492 1.633 0 O-C-N 121.053 -1.029 . . . . 0.0 110.059 179.966 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.519 ' N ' ' O ' ' B' ' 9' ' ' PHE . 0.9 OUTLIER . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.19 0.519 . . . . 0.0 110.478 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.847 HG23 ' CD1' ' B' ' 8' ' ' TYR . 82.3 m -114.52 100.81 8.57 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.182 -0.949 . . . . 0.0 110.338 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.596 ' CD1' ' N ' ' B' ' 20' ' ' PHE . 11.4 p90 -150.26 -163.64 1.83 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.315 -0.866 . . . . 0.0 110.278 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.525 HG23 HG22 ' B' ' 6' ' ' ILE . 7.5 p . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.262 -0.899 . . . . 0.0 110.099 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.585 HG23 ' O ' ' A' ' 5' ' ' ILE . 2.5 tt . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.202 0.525 . . . . 0.0 110.117 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.623 ' H ' HD12 ' A' ' 6' ' ' ILE . 1.5 mp -93.38 46.32 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.158 -0.964 . . . . 0.0 110.159 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.585 ' CZ ' ' CE2' ' A' ' 20' ' ' PHE . 52.1 mtm180 -43.27 104.54 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.229 -0.92 . . . . 0.0 109.901 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.599 ' CE2' HG23 ' A' ' 19' ' ' THR . 0.2 OUTLIER -120.03 65.34 0.82 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.153 -0.967 . . . . 0.0 110.584 -179.772 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.475 ' O ' ' O ' ' A' ' 10' ' ' TYR . 12.5 m-85 -89.77 108.42 19.68 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.182 -0.949 . . . . 0.0 109.415 179.46 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.558 ' HD2' ' HB2' ' A' ' 12' ' ' ALA . 20.9 t80 -42.98 168.2 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.269 -0.894 . . . . 0.0 110.628 -179.147 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.576 ' O ' ' N ' ' A' ' 15' ' ' GLY . 25.5 p30 -97.99 14.05 28.71 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.301 -0.874 . . . . 0.0 111.526 -179.333 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.718 ' O ' ' N ' ' A' ' 14' ' ' ASP . . . -49.43 146.26 4.1 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 120.855 -1.153 . . . . 0.0 110.718 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 47.98 -64.72 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.128 0 CA-C-O 121.921 0.867 . . . . 0.0 111.756 178.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.718 ' N ' ' O ' ' A' ' 12' ' ' ALA . 10.1 m-20 -66.92 -8.28 28.22 Favored 'General case' 0 C--N 1.285 -2.207 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.52 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.576 ' N ' ' O ' ' A' ' 11' ' ' ASN . . . 52.25 32.24 36.15 Favored Glycine 0 N--CA 1.495 2.613 0 C-N-CA 119.155 -1.497 . . . . 0.0 109.499 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.951 HD23 ' O ' ' A' ' 16' ' ' LEU . 1.4 tt . . . . . 0 N--CA 1.501 2.102 0 O-C-N 121.081 -1.246 . . . . 0.0 111.084 -179.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.509 ' O ' ' HA ' ' A' ' 8' ' ' TYR . 30.3 mt-30 . . . . . 0 N--CA 1.489 1.476 0 CA-C-O 121.444 0.64 . . . . 0.0 110.571 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.599 HG23 ' CE2' ' A' ' 8' ' ' TYR . 15.9 m -132.57 86.17 2.3 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.567 -0.708 . . . . 0.0 109.328 179.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.623 ' CD2' ' NE ' ' B' ' 7' ' ' ARG . 9.0 m-85 -89.4 156.16 18.86 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.316 -0.865 . . . . 0.0 110.292 -179.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.542 ' HB ' ' CG1' ' B' ' 6' ' ' ILE . 17.5 t -149.98 26.09 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.342 -0.849 . . . . 0.0 109.972 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.477 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 1.7 t80 -70.46 99.7 1.65 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.345 -0.847 . . . . 0.0 110.149 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.216 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 179.916 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.659 0 CA-C-O 121.106 0.479 . . . . 0.0 110.766 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.732 ' C ' HD13 ' B' ' 5' ' ' ILE . 0.0 OUTLIER -171.34 131.3 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.152 -0.967 . . . . 0.0 110.089 179.561 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.775 HD12 ' HE1' ' B' ' 8' ' ' TYR . 40.5 pt -156.18 -175.08 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.372 -0.83 . . . . 0.0 109.931 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' ARG . . . . . 0.635 ' O ' HG23 ' B' ' 19' ' ' THR . 22.8 ttm180 -166.37 161.61 16.6 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.17 -0.956 . . . . 0.0 110.242 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . 0.775 ' HE1' HD12 ' B' ' 6' ' ' ILE . 65.2 m-85 -151.53 38.69 0.63 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.23 -0.918 . . . . 0.0 110.017 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . 0.584 ' CG ' ' O ' ' B' ' 9' ' ' PHE . 1.1 p90 -94.57 119.64 33.56 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.238 -0.914 . . . . 0.0 109.966 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -116.25 16.66 15.82 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.125 -0.984 . . . . 0.0 110.366 -179.632 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . 0.889 ' CB ' HD12 ' A' ' 16' ' ' LEU . 3.5 t-20 . . . . . 0 N--CA 1.49 1.556 0 O-C-N 121.172 -0.955 . . . . 0.0 110.144 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.518 ' N ' ' O ' ' B' ' 9' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 121.404 0.621 . . . . 0.0 110.321 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.635 HG23 ' O ' ' B' ' 7' ' ' ARG . 21.5 m -128.82 151.88 49.1 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.447 -0.783 . . . . 0.0 109.902 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.579 ' CD1' ' HB3' ' B' ' 7' ' ' ARG . 7.0 m-85 -112.1 126.53 55.28 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.112 -0.993 . . . . 0.0 110.415 -179.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.441 ' O ' HG12 ' B' ' 21' ' ' VAL . 76.6 t . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.279 -0.888 . . . . 0.0 109.878 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' A' ' 7' ' ' ARG . 12.0 pt . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 121.415 0.626 . . . . 0.0 110.546 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.908 HD12 HG22 ' A' ' 21' ' ' VAL . 0.4 OUTLIER -57.63 88.96 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.382 -0.824 . . . . 0.0 110.553 -179.715 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.62 ' HB2' ' CZ ' ' A' ' 20' ' ' PHE . 0.4 OUTLIER -49.07 151.74 1.25 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.289 -0.882 . . . . 0.0 109.689 179.534 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.542 ' CD1' ' OG1' ' A' ' 19' ' ' THR . 0.1 OUTLIER -155.58 99.55 2.03 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.439 -0.788 . . . . 0.0 110.574 -179.838 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.573 ' CE1' ' HG2' ' A' ' 7' ' ' ARG . 11.3 m-85 -123.52 91.51 3.49 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.209 -0.932 . . . . 0.0 109.844 179.524 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.529 ' OH ' ' HB2' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -99.19 151.97 20.41 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.37 -0.831 . . . . 0.0 110.174 -179.57 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.507 ' O ' ' N ' ' A' ' 15' ' ' GLY . 18.4 m120 -129.6 106.89 9.04 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.338 -0.851 . . . . 0.0 109.834 179.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.529 ' HB2' ' OH ' ' A' ' 10' ' ' TYR . . . -49.5 -40.0 35.95 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.219 -0.926 . . . . 0.0 110.512 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.17 -78.9 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.204 -0.935 . . . . 0.0 109.552 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.505 ' OD1' ' N ' ' A' ' 16' ' ' LEU . 3.3 p30 -71.76 -4.43 27.63 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.304 -0.872 . . . . 0.0 109.442 179.116 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 11' ' ' ASN . . . 61.64 37.69 94.63 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.506 ' O ' ' HA ' ' A' ' 10' ' ' TYR . 1.6 tt . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.231 -1.158 . . . . 0.0 110.078 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.535 ' HG3' ' NH1' ' A' ' 7' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.143 0.496 . . . . 0.0 109.775 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.59 HG23 ' O ' ' A' ' 7' ' ' ARG . 2.0 m -172.24 138.93 1.0 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.25 -0.906 . . . . 0.0 110.156 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.62 ' CZ ' ' HB2' ' A' ' 7' ' ' ARG . 3.9 p90 -149.99 142.76 24.68 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.046 -1.034 . . . . 0.0 110.492 179.362 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.908 HG22 HD12 ' A' ' 6' ' ' ILE . 12.4 t -95.09 74.63 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.306 -0.871 . . . . 0.0 110.754 -179.337 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.613 ' HB3' ' CE1' ' A' ' 20' ' ' PHE . 13.9 t80 -126.78 88.57 2.84 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.289 -0.882 . . . . 0.0 109.23 179.178 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.241 0 C-N-CA 119.215 -1.469 . . . . 0.0 110.25 -178.98 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . 0.546 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.089 0.471 . . . . 0.0 110.195 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.622 HG23 ' O ' ' B' ' 5' ' ' ILE . 2.4 tt -149.96 67.84 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.672 -0.642 . . . . 0.0 110.256 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.699 HD12 ' CB ' ' A' ' 21' ' ' VAL . 13.6 mt -98.73 166.81 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.011 -1.056 . . . . 0.0 110.387 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' ARG . . . . . 0.502 ' O ' ' HA ' ' B' ' 19' ' ' THR . 1.8 mtp85 -126.31 102.45 7.18 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.247 -0.908 . . . . 0.0 110.156 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . 0.525 ' N ' ' O ' ' A' ' 19' ' ' THR . 4.1 m-30 -111.38 81.01 1.37 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.333 -0.854 . . . . 0.0 110.452 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -104.53 113.99 27.92 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.046 -1.034 . . . . 0.0 110.338 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . 0.44 ' O ' ' HB3' ' B' ' 11' ' ' ASN . 14.9 t80 -118.72 158.9 24.65 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.337 -0.852 . . . . 0.0 110.086 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . 0.44 ' HB3' ' O ' ' B' ' 10' ' ' TYR . 1.5 p30 . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.178 -0.951 . . . . 0.0 110.224 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.266 0.555 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.502 ' HA ' ' O ' ' B' ' 7' ' ' ARG . 63.5 m -132.67 115.6 15.59 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.362 -0.837 . . . . 0.0 110.122 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.465 ' C ' HG13 ' B' ' 21' ' ' VAL . 13.2 m-85 -118.61 178.96 4.27 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.219 -0.926 . . . . 0.0 110.226 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.732 HG23 ' O ' ' B' ' 21' ' ' VAL . 33.2 m . . . . . 0 N--CA 1.49 1.552 0 O-C-N 121.294 -0.879 . . . . 0.0 110.317 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.733 ' N ' HD13 ' A' ' 5' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.279 0.562 . . . . 0.0 110.35 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.608 ' N ' HD12 ' A' ' 6' ' ' ILE . 4.6 mp -123.83 74.1 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.3 -0.875 . . . . 0.0 110.14 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.73 102.06 13.82 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.261 -0.899 . . . . 0.0 110.351 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.565 ' O ' ' CD1' ' A' ' 9' ' ' PHE . 13.6 p90 -150.43 159.32 44.55 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.326 -0.859 . . . . 0.0 109.995 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.565 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 24.0 m-85 -146.15 93.28 2.3 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.147 -0.97 . . . . 0.0 110.535 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.428 ' C ' ' O ' ' A' ' 9' ' ' PHE . 22.7 t80 -44.35 136.41 4.09 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.176 -0.952 . . . . 0.0 109.537 179.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.478 ' O ' ' O ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -142.88 75.96 1.51 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.968 -1.083 . . . . 0.0 111.404 -179.388 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.833 ' O ' ' N ' ' A' ' 14' ' ' ASP . . . -62.46 -156.48 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 178.302 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp 48.58 -65.56 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.064 0 CA-C-O 121.919 0.866 . . . . 0.0 109.867 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.833 ' N ' ' O ' ' A' ' 12' ' ' ALA . 1.1 m-20 -55.03 -21.79 13.38 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 177.295 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.509 ' O ' ' HA ' ' B' ' 11' ' ' ASN . . . 96.53 -4.35 64.02 Favored Glycine 0 N--CA 1.489 2.2 0 C-N-CA 119.919 -1.134 . . . . 0.0 112.173 177.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.852 HD13 ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.886 0 CA-C-N 119.848 1.824 . . . . 0.0 112.745 179.641 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.581 ' OE1' ' CD2' ' B' ' 9' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.499 1.987 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.472 ' HB ' ' HB2' ' B' ' 8' ' ' TYR . 54.6 m -144.52 115.84 8.02 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.088 -1.007 . . . . 0.0 111.094 -179.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.596 ' CD1' ' HG3' ' B' ' 7' ' ' ARG . 1.2 t80 -122.61 125.16 45.08 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 179.085 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.544 ' O ' HG22 ' A' ' 21' ' ' VAL . 0.6 OUTLIER -149.89 100.99 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 120.719 -1.238 . . . . 0.0 111.452 -178.715 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.873 ' CE2' HD12 ' B' ' 6' ' ' ILE . 0.1 OUTLIER 164.75 107.58 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.702 -0.623 . . . . 0.0 109.993 178.877 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.417 0 N-CA-C 109.655 -1.378 . . . . 0.0 109.655 -179.869 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . 0.565 ' HD3' ' CZ ' ' A' ' 22' ' ' TYR . 2.6 mtt180 . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.365 0.602 . . . . 0.0 110.677 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.788 HD12 ' H ' ' B' ' 5' ' ' ILE . 0.5 OUTLIER -149.59 36.83 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.361 -0.837 . . . . 0.0 110.113 179.616 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.873 HD12 ' CE2' ' A' ' 22' ' ' TYR . 91.9 mt -70.02 141.72 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 CA-C-O 121.808 0.813 . . . . 0.0 110.861 -179.511 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' ARG . . . . . 0.614 ' HB3' ' CZ ' ' B' ' 20' ' ' PHE . 0.0 OUTLIER -137.56 143.74 41.71 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.402 -0.811 . . . . 0.0 110.033 179.838 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . 0.917 ' CE1' HG23 ' B' ' 19' ' ' THR . 7.0 m-85 -118.71 114.86 23.36 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.672 -0.642 . . . . 0.0 109.579 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . 0.635 ' O ' ' CD1' ' B' ' 9' ' ' PHE . 21.5 t80 -152.59 97.29 2.23 Favored 'General case' 0 N--CA 1.506 2.366 0 O-C-N 120.555 -1.34 . . . . 0.0 112.869 -179.377 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . 0.495 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 0.7 OUTLIER -134.02 170.64 15.34 Favored 'General case' 0 N--CA 1.509 2.522 0 O-C-N 120.101 -1.624 . . . . 0.0 109.48 177.532 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . 0.509 ' HA ' ' O ' ' A' ' 15' ' ' GLY . 4.7 p-10 . . . . . 0 N--CA 1.492 1.648 0 O-C-N 121.273 -0.892 . . . . 0.0 110.202 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.554 ' CB ' ' O ' ' B' ' 9' ' ' PHE . 6.3 tt0 . . . . . 0 N--CA 1.506 2.333 0 CA-C-O 121.215 0.531 . . . . 0.0 112.245 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.917 HG23 ' CE1' ' B' ' 8' ' ' TYR . 55.0 m -99.61 105.9 17.81 Favored 'General case' 0 C--N 1.303 -1.419 0 C-N-CA 119.73 -0.788 . . . . 0.0 111.036 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.614 ' CZ ' ' HB3' ' B' ' 7' ' ' ARG . 8.7 p90 -122.88 143.66 49.73 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 119.596 -0.842 . . . . 0.0 109.847 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.597 HG12 HG12 ' B' ' 6' ' ' ILE . 4.7 m . . . . . 0 N--CA 1.491 1.583 0 O-C-N 121.205 -0.934 . . . . 0.0 110.523 -179.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.505 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 3.7 mt . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.33 0.586 . . . . 0.0 109.594 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.74 HG23 HG12 ' A' ' 21' ' ' VAL . 1.7 mt -63.12 111.74 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.326 -0.859 . . . . 0.0 110.966 -179.171 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.58 ' HB3' ' CE2' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -107.39 107.66 18.66 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.512 -0.742 . . . . 0.0 109.101 179.089 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.682 ' CG ' HG23 ' A' ' 19' ' ' THR . 0.2 OUTLIER -86.29 153.49 21.94 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.285 -0.884 . . . . 0.0 111.145 -178.938 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.58 ' CE2' ' HB3' ' A' ' 7' ' ' ARG . 64.0 m-85 -149.93 76.27 1.28 Allowed 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.501 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.643 ' CE2' ' HB2' ' A' ' 12' ' ' ALA . 10.3 t80 -40.55 165.62 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.51 -0.744 . . . . 0.0 111.14 -178.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.614 ' O ' ' CA ' ' A' ' 15' ' ' GLY . 31.3 p-10 -89.16 -18.48 27.06 Favored 'General case' 0 C--O 1.199 -1.57 0 O-C-N 121.513 -0.742 . . . . 0.0 111.327 -179.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.643 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . . . -45.37 -68.25 0.21 Allowed 'General case' 0 C--N 1.29 -2.006 0 O-C-N 120.173 -1.579 . . . . 0.0 111.041 -179.36 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -51.66 -85.68 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.428 -0.795 . . . . 0.0 111.708 -178.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.89 -3.37 3.35 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.47 -0.769 . . . . 0.0 111.13 -178.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.614 ' CA ' ' O ' ' A' ' 11' ' ' ASN . . . 74.48 15.31 80.46 Favored Glycine 0 N--CA 1.497 2.716 0 C-N-CA 118.307 -1.901 . . . . 0.0 109.428 -179.505 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 1.093 HD11 ' CZ ' ' B' ' 9' ' ' PHE . 5.9 tt . . . . . 0 N--CA 1.498 1.957 0 O-C-N 121.149 -1.206 . . . . 0.0 110.812 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 . . . . . 0 N--CA 1.494 1.733 0 CA-C-O 121.298 0.571 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.682 HG23 ' CG ' ' A' ' 8' ' ' TYR . 0.2 OUTLIER -116.79 83.57 1.99 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.228 -0.92 . . . . 0.0 110.264 179.794 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.607 ' CZ ' ' HB2' ' A' ' 22' ' ' TYR . 8.3 t80 -89.38 107.21 18.94 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.231 -0.918 . . . . 0.0 109.749 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.74 HG12 HG23 ' A' ' 6' ' ' ILE . 2.1 m -94.64 -45.02 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 121.188 -0.945 . . . . 0.0 110.802 -179.348 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.74 ' CD1' HG23 ' B' ' 5' ' ' ILE . 9.4 t80 64.07 154.87 0.06 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.35 -0.844 . . . . 0.0 110.544 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.277 0 N-CA-C 109.44 -1.464 . . . . 0.0 109.44 179.827 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . 0.448 ' NH1' ' CG2' ' B' ' 21' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.311 0.577 . . . . 0.0 110.196 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.74 HG23 ' CD1' ' A' ' 22' ' ' TYR . 33.6 mt -130.48 73.43 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.211 -0.93 . . . . 0.0 110.062 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.708 HG23 ' CE1' ' B' ' 8' ' ' TYR . 96.8 mt -63.03 113.32 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.402 -0.811 . . . . 0.0 110.198 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' ARG . . . . . 0.443 ' HG3' HG22 ' B' ' 5' ' ' ILE . 17.9 mtm180 -119.85 89.73 3.19 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.252 -0.905 . . . . 0.0 110.211 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . 0.708 ' CE1' HG23 ' B' ' 6' ' ' ILE . 21.9 m-30 -75.69 150.23 37.94 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.242 -0.911 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . 1.093 ' CZ ' HD11 ' A' ' 16' ' ' LEU . 65.9 t80 -150.14 46.79 0.91 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.449 -0.782 . . . . 0.0 109.585 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . 0.573 ' CD1' ' O ' ' B' ' 10' ' ' TYR . 0.7 OUTLIER -39.11 -33.86 0.15 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.705 -0.622 . . . . 0.0 110.607 -179.818 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . 0.432 ' HA ' ' HG ' ' A' ' 16' ' ' LEU . 17.1 t30 . . . . . 0 N--CA 1.492 1.645 0 O-C-N 120.941 -1.1 . . . . 0.0 109.896 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.498 ' HB3' ' HB3' ' B' ' 9' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 121.261 0.553 . . . . 0.0 110.051 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.0 m -98.28 156.33 16.77 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.156 -0.965 . . . . 0.0 110.402 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -118.78 64.96 0.77 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.312 -0.867 . . . . 0.0 110.014 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.448 ' CG2' ' NH1' ' B' ' 4' ' ' ARG . 7.4 p . . . . . 0 N--CA 1.491 1.609 0 O-C-N 121.2 -0.938 . . . . 0.0 110.375 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.737 HG23 ' O ' ' A' ' 5' ' ' ILE . 6.6 tp . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 121.28 0.562 . . . . 0.0 110.028 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 40.0 mt -67.14 112.06 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.241 -0.912 . . . . 0.0 110.274 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.497 ' CG ' HG13 ' A' ' 5' ' ' ILE . 76.0 mtm-85 -127.48 119.02 25.15 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.201 -0.937 . . . . 0.0 110.156 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.436 ' CB ' ' HA ' ' A' ' 19' ' ' THR . 35.5 p90 -121.93 162.95 20.12 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.27 -0.894 . . . . 0.0 110.213 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -127.44 -163.26 1.24 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.334 -0.854 . . . . 0.0 109.967 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -128.49 136.64 51.09 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.228 -0.92 . . . . 0.0 110.396 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.528 ' ND2' ' N ' ' A' ' 11' ' ' ASN . 0.0 OUTLIER -142.82 112.04 6.62 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.45 -0.781 . . . . 0.0 109.429 179.691 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.491 ' O ' ' C ' ' A' ' 13' ' ' LYS . . . -90.05 -6.96 54.95 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.466 -0.772 . . . . 0.0 110.948 -179.275 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.491 ' C ' ' O ' ' A' ' 12' ' ' ALA . 10.1 mttt -38.45 -52.39 1.57 Allowed 'General case' 0 N--CA 1.498 1.962 0 CA-C-O 121.812 0.815 . . . . 0.0 108.947 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.797 ' HB2' HD12 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -130.46 9.88 5.17 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 107.667 -1.235 . . . . 0.0 107.667 177.306 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.706 ' C ' HD13 ' A' ' 16' ' ' LEU . . . 66.06 76.82 0.31 Allowed Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.658 -1.377 . . . . 0.0 109.658 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.891 HD13 ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.655 0 O-C-N 120.993 -1.298 . . . . 0.0 111.462 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.415 ' O ' ' HB2' ' A' ' 8' ' ' TYR . 7.9 tt0 . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.558 0.694 . . . . 0.0 111.21 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.51 ' O ' ' CB ' ' B' ' 8' ' ' TYR . 4.3 m -122.2 91.7 3.56 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.569 -0.707 . . . . 0.0 109.27 179.35 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.606 ' CD1' ' CD ' ' B' ' 7' ' ' ARG . 5.4 t80 -89.63 130.44 35.93 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.269 -0.894 . . . . 0.0 110.766 -179.148 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.494 ' O ' ' CE1' ' A' ' 20' ' ' PHE . 4.1 t -106.74 161.34 5.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.399 -0.813 . . . . 0.0 109.482 179.499 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.856 ' HA ' HD12 ' B' ' 5' ' ' ILE . 79.6 t80 -151.29 83.89 1.31 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.852 -1.155 . . . . 0.0 111.404 -179.259 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.672 ' H ' HD13 ' B' ' 5' ' ' ILE . . . . . . . . 0 N--CA 1.489 2.2 0 N-CA-C 108.767 -1.733 . . . . 0.0 108.767 179.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . 0.68 ' O ' HD13 ' B' ' 5' ' ' ILE . 6.7 mpt_? . . . . . 0 N--CA 1.495 1.792 0 CA-C-O 120.492 0.187 . . . . 0.0 111.281 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.856 HD12 ' HA ' ' A' ' 22' ' ' TYR . 27.1 mm -150.06 126.39 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 120.546 -1.346 . . . . 0.0 111.382 -179.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.506 HG23 ' O ' ' B' ' 6' ' ' ILE . 10.1 tt -125.02 130.55 73.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.672 -0.642 . . . . 0.0 110.413 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' ARG . . . . . 0.606 ' CD ' ' CD1' ' A' ' 20' ' ' PHE . 1.0 OUTLIER -102.36 126.23 49.31 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.459 -0.776 . . . . 0.0 110.11 179.894 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . 0.527 ' CZ ' HG21 ' B' ' 19' ' ' THR . 0.3 OUTLIER -108.32 139.71 42.63 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.223 -0.923 . . . . 0.0 110.159 179.881 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . 0.443 ' O ' ' CD2' ' B' ' 9' ' ' PHE . 38.6 t80 -149.79 59.32 0.99 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.197 -0.939 . . . . 0.0 110.477 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . 0.626 ' CD1' ' N ' ' B' ' 11' ' ' ASN . 1.1 p90 -60.65 -179.07 0.11 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.151 -0.968 . . . . 0.0 109.607 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . 0.626 ' N ' ' CD1' ' B' ' 10' ' ' TYR . 18.6 p-10 . . . . . 0 N--CA 1.493 1.68 0 O-C-N 121.064 -1.023 . . . . 0.0 110.619 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.278 0.561 . . . . 0.0 110.013 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.527 HG21 ' CZ ' ' B' ' 8' ' ' TYR . 0.1 OUTLIER -117.6 137.92 52.29 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.186 -0.946 . . . . 0.0 110.416 -179.787 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.454 ' CD1' ' N ' ' B' ' 20' ' ' PHE . 12.1 m-85 -101.14 -160.45 0.8 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.36 -0.838 . . . . 0.0 109.913 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.465 ' O ' ' O ' ' B' ' 5' ' ' ILE . 7.8 p . . . . . 0 N--CA 1.493 1.697 0 O-C-N 121.18 -0.95 . . . . 0.0 110.602 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.513 HD11 ' CZ ' ' A' ' 22' ' ' TYR . 4.2 pt . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.241 0.543 . . . . 0.0 109.977 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.565 HG23 HG11 ' A' ' 21' ' ' VAL . 2.5 mp -146.63 96.79 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.132 -0.98 . . . . 0.0 110.419 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.6 mmt-85 -94.41 120.35 34.53 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.216 -0.927 . . . . 0.0 109.854 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.511 ' CB ' ' HA ' ' A' ' 19' ' ' THR . 26.4 p90 -156.58 176.92 12.08 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.204 -0.935 . . . . 0.0 110.606 -179.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -134.98 176.17 8.91 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.459 -0.776 . . . . 0.0 109.687 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -127.78 138.35 52.71 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.13 -0.981 . . . . 0.0 110.478 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -142.85 63.02 1.39 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.348 -0.845 . . . . 0.0 110.14 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.12 -25.44 5.17 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.27 -0.894 . . . . 0.0 110.256 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -53.75 -74.68 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.262 -0.899 . . . . 0.0 109.387 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.43 -5.24 31.32 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.257 -0.902 . . . . 0.0 109.34 179.013 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.584 ' O ' HD12 ' A' ' 16' ' ' LEU . . . 74.07 46.41 22.2 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.584 HD12 ' O ' ' A' ' 15' ' ' GLY . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.617 0 O-C-N 121.263 -1.14 . . . . 0.0 110.301 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.311 0.577 . . . . 0.0 110.395 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.511 ' HA ' ' CB ' ' A' ' 8' ' ' TYR . 5.2 m -137.88 95.27 3.01 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.296 -0.878 . . . . 0.0 110.113 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -103.14 107.78 18.72 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.182 -0.949 . . . . 0.0 109.949 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.565 HG11 HG23 ' A' ' 6' ' ' ILE . 3.8 m -121.33 151.31 24.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.246 -0.909 . . . . 0.0 110.354 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.567 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 27.8 p90 -140.41 125.71 18.77 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.306 -0.871 . . . . 0.0 110.092 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 N-CA-C 109.635 -1.386 . . . . 0.0 109.635 -179.859 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . 0.627 ' NH2' HD11 ' B' ' 6' ' ' ILE . 1.2 mtp180 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.228 0.537 . . . . 0.0 110.143 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.425 ' O ' ' HA ' ' B' ' 21' ' ' VAL . 29.6 mt -131.62 134.18 60.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.264 -0.898 . . . . 0.0 110.254 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.627 HD11 ' NH2' ' B' ' 4' ' ' ARG . 72.4 mt -129.12 151.13 35.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.286 -0.884 . . . . 0.0 110.194 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' ARG . . . . . 0.513 ' HB3' ' CD2' ' B' ' 20' ' ' PHE . 2.9 ttt180 -127.46 98.52 5.27 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.282 -0.886 . . . . 0.0 110.308 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . 0.509 ' HB2' HG22 ' A' ' 19' ' ' THR . 12.7 m-85 -94.11 113.29 25.22 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.248 -0.908 . . . . 0.0 110.009 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . 0.624 ' CG ' ' O ' ' B' ' 9' ' ' PHE . 4.5 t80 -125.95 35.13 4.74 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.058 -1.026 . . . . 0.0 110.495 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . 0.573 ' CG ' ' O ' ' B' ' 10' ' ' TYR . 1.3 p90 -43.14 122.43 2.49 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.946 -1.096 . . . . 0.0 110.237 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 13.9 p30 . . . . . 0 N--CA 1.494 1.772 0 O-C-N 121.181 -0.949 . . . . 0.0 110.305 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.616 ' OE1' ' N ' ' B' ' 9' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.833 0 CA-C-O 121.333 0.587 . . . . 0.0 110.801 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 37.6 m -101.5 123.43 45.53 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.281 -0.887 . . . . 0.0 110.074 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.513 ' CD2' ' HB3' ' B' ' 7' ' ' ARG . 5.9 m-85 -114.29 126.99 55.65 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.238 -0.914 . . . . 0.0 110.184 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . 0.475 HG13 ' O ' ' B' ' 21' ' ' VAL . 7.3 p . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.19 -0.944 . . . . 0.0 110.21 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MPT . . . . . 0.458 ' O ' ' HB2' ' A' ' 2' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.52 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 0.8 OUTLIER 62.95 93.96 0.05 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.244 -0.91 . . . . 0.0 109.647 -179.715 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.06 50.69 0.62 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.341 -0.849 . . . . 0.0 110.418 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CLG . . . . . 0.623 ' CD ' HG21 ' B' ' 6' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.973 HG22 ' O ' ' A' ' 22' ' ' TYR . 0.4 OUTLIER -54.9 -165.0 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.292 -0.88 . . . . 0.0 110.047 -179.826 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.476 ' N ' HG23 ' A' ' 5' ' ' ILE . 21.7 mt -142.17 132.19 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.019 -1.051 . . . . 0.0 110.56 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.472 ' HA ' ' NE ' ' A' ' 7' ' ' ARG . 9.0 tpm_? -154.67 88.52 1.2 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.31 -0.869 . . . . 0.0 109.777 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.583 ' C ' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -131.94 -177.54 4.49 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.393 -0.817 . . . . 0.0 111.292 -179.436 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.501 ' O ' ' O ' ' A' ' 10' ' ' TYR . 23.6 m-85 -133.0 20.42 4.11 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.119 -0.988 . . . . 0.0 110.008 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.94 ' HA ' ' HG3' ' A' ' 17' ' ' ABA . 8.4 t80 48.22 170.59 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.752 0 CA-C-O 121.867 0.841 . . . . 0.0 111.513 179.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.521 ' O ' ' O ' ' A' ' 12' ' ' ALA . 0.6 OUTLIER 162.35 67.24 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.521 ' O ' ' O ' ' A' ' 11' ' ' ASN . . . -44.13 -103.47 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.469 -0.769 . . . . 0.0 110.967 -179.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.52 ' O ' ' CB ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER 45.74 84.84 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.619 -1.301 . . . . 0.0 109.203 -179.371 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.644 ' O ' ' HB1' ' B' ' 12' ' ' ALA . 3.4 m-20 74.45 0.19 3.51 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.73 -0.606 . . . . 0.0 109.615 -178.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.15 48.63 2.39 Favored Glycine 0 N--CA 1.492 2.387 0 C-N-CA 119.828 -1.177 . . . . 0.0 110.514 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.832 HD12 ' H ' ' B' ' 12' ' ' ALA . 0.3 OUTLIER -107.52 171.25 7.49 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.055 -1.262 . . . . 0.0 109.592 179.142 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ABA . . . . . 0.94 ' HG3' ' HA ' ' A' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.482 ' O ' ' HB2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -43.8 102.65 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.135 -0.978 . . . . 0.0 109.627 179.658 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.562 HG22 ' O ' ' A' ' 19' ' ' THR . 27.6 m -105.01 80.92 1.67 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.488 -0.758 . . . . 0.0 111.394 -178.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.596 ' CD1' ' HB3' ' B' ' 7' ' ' ARG . 51.2 t80 -89.76 85.62 6.47 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 178.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.725 ' HB ' HG23 ' B' ' 6' ' ' ILE . 78.9 t -89.85 157.7 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.172 -0.955 . . . . 0.0 111.469 -178.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.973 ' O ' HG22 ' A' ' 5' ' ' ILE . 2.1 t80 -117.42 142.68 46.84 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.48 -0.762 . . . . 0.0 109.731 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.453 ' N ' ' CD1' ' A' ' 22' ' ' TYR . . . -46.13 168.3 0.05 OUTLIER Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 121.96 138.81 5.47 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.601 -1.399 . . . . 0.0 109.601 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.52 ' HA ' ' O ' ' A' ' 2' ' ' LYS . 0.5 OUTLIER -64.64 -28.9 69.93 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.247 -1.149 . . . . 0.0 110.22 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.334 0 O-C-N 119.84 -1.787 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 9.0 tptm -83.41 47.39 1.25 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.251 -0.906 . . . . 0.0 110.084 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.486 ' O ' ' HB3' ' B' ' 4' ' ' ARG . . . -108.68 -161.25 0.76 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.238 -0.914 . . . . 0.0 110.312 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.564 ' N ' HD13 ' B' ' 5' ' ' ILE . 17.0 tpt85 63.76 64.69 0.76 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.369 -0.832 . . . . 0.0 110.368 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.792 HD13 ' N ' ' B' ' 5' ' ' ILE . 0.0 OUTLIER -121.28 116.67 50.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.287 -0.883 . . . . 0.0 110.201 179.772 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.785 HG23 ' O ' ' B' ' 6' ' ' ILE . 0.1 OUTLIER -72.71 64.79 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.339 0 CA-C-O 122.683 1.23 . . . . 0.0 109.635 179.74 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . 0.876 ' NH1' HG22 ' B' ' 21' ' ' VAL . 0.0 OUTLIER -56.05 91.92 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.047 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.846 179.175 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . 0.652 ' CD2' HD12 ' B' ' 6' ' ' ILE . 0.1 OUTLIER -91.12 172.78 8.32 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.771 -0.581 . . . . 0.0 110.273 179.823 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . 0.549 ' HB3' ' CB ' ' B' ' 18' ' ' GLN . 58.8 t80 -150.22 67.89 0.98 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.273 -0.892 . . . . 0.0 110.087 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' B' ' 9' ' ' PHE . 6.7 t80 -42.56 102.6 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.288 -0.883 . . . . 0.0 110.208 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . 0.459 ' HA ' ' HG ' ' A' ' 16' ' ' LEU . 38.8 t-20 -113.14 130.43 56.2 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.268 -0.895 . . . . 0.0 110.165 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . 0.832 ' H ' HD12 ' A' ' 16' ' ' LEU . . . -61.59 174.51 0.76 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.287 -0.883 . . . . 0.0 110.324 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' B' ' 14' ' ' ASP . 16.8 mtmm -46.98 -25.23 0.75 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.211 -0.931 . . . . 0.0 110.044 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' B' ' 13' ' ' LYS . 0.9 OUTLIER -43.37 -29.7 0.46 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.225 -0.922 . . . . 0.0 110.216 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.42 ' O ' ' HG3' ' B' ' 16' ' ' CLH . . . -138.44 -106.1 0.71 Allowed Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' CLH . . . . . 0.686 ' O ' ' HG2' ' B' ' 17' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ABA . . . . . 0.686 ' HG2' ' O ' ' B' ' 16' ' ' CLH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.549 ' CB ' ' HB3' ' B' ' 9' ' ' PHE . 0.0 OUTLIER 169.61 155.27 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.235 -0.916 . . . . 0.0 110.113 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.727 HG22 HH11 ' B' ' 7' ' ' ARG . 0.2 OUTLIER -162.53 117.25 1.81 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.355 -0.84 . . . . 0.0 109.898 179.893 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.653 ' N ' ' HD3' ' B' ' 7' ' ' ARG . 2.2 m-85 -89.63 97.68 11.33 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.183 -0.948 . . . . 0.0 110.138 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.876 HG22 ' NH1' ' B' ' 7' ' ' ARG . 97.7 t -87.7 126.62 41.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 120.767 -1.208 . . . . 0.0 110.561 -179.283 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . 0.406 ' CD1' ' N ' ' B' ' 22' ' ' TYR . 11.6 p90 -165.42 24.4 0.05 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.472 -0.767 . . . . 0.0 110.161 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.15 142.67 45.05 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.45 -26.83 4.1 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' CYS . . . . . 0.481 ' HB2' ' HB3' ' B' ' 3' ' ' ALA . 5.8 m -108.75 -162.34 0.81 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.226 -1.161 . . . . 0.0 110.084 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 119.923 -1.735 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MPT . . . . . 0.404 ' SG ' ' HB2' ' A' ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? 44.63 68.08 0.6 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.22 -0.925 . . . . 0.0 110.173 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.451 ' O ' ' O ' ' A' ' 4' ' ' CLG . . . -110.33 -120.68 0.28 Allowed 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.249 -0.907 . . . . 0.0 109.54 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CLG . . . . . 0.695 ' HI2' HG11 ' B' ' 21' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.673 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -115.17 120.2 63.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.284 -0.885 . . . . 0.0 109.951 179.903 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.961 ' HA ' HG22 ' A' ' 21' ' ' VAL . 57.1 mt -83.48 160.22 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.307 -0.871 . . . . 0.0 110.526 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.457 ' NH1' ' CE1' ' A' ' 9' ' ' PHE . 0.0 OUTLIER 173.68 103.92 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.333 -0.854 . . . . 0.0 109.89 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.746 ' HB3' HG23 ' A' ' 19' ' ' THR . 49.7 p90 -127.33 179.23 5.57 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.171 -0.955 . . . . 0.0 110.526 -179.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.457 ' CE1' ' NH1' ' A' ' 7' ' ' ARG . 26.6 m-85 -128.44 111.82 13.72 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.371 -0.831 . . . . 0.0 109.955 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -69.42 139.45 54.05 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.256 -0.903 . . . . 0.0 110.446 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.48 ' HB3' ' OD1' ' A' ' 14' ' ' ASP . 55.1 m-80 -145.52 73.2 1.34 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.277 -0.889 . . . . 0.0 110.025 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.54 -35.36 63.14 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.325 -0.859 . . . . 0.0 110.367 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.95 -82.07 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.207 -0.933 . . . . 0.0 109.321 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.48 ' OD1' ' HB3' ' A' ' 11' ' ' ASN . 39.8 p-10 -75.44 -0.93 21.73 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.323 -0.861 . . . . 0.0 109.356 179.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 11' ' ' ASN . . . 61.39 34.89 89.93 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.947 HD12 ' HA ' ' B' ' 11' ' ' ASN . 0.8 OUTLIER -106.87 82.48 1.7 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.279 -1.13 . . . . 0.0 110.216 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.6 ' CG ' ' CD1' ' B' ' 9' ' ' PHE . 1.5 tm0? -51.1 139.36 18.2 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.246 -0.909 . . . . 0.0 110.206 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.746 HG23 ' HB3' ' A' ' 8' ' ' TYR . 49.3 m -133.43 151.47 51.8 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.263 -0.898 . . . . 0.0 110.242 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.515 ' HA ' ' HB2' ' B' ' 7' ' ' ARG . 0.4 OUTLIER -149.74 98.99 2.82 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.327 -0.858 . . . . 0.0 110.289 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.961 HG22 ' HA ' ' A' ' 6' ' ' ILE . 64.6 t -98.01 -79.31 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.266 -0.896 . . . . 0.0 110.075 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.592 ' CG ' ' HB ' ' B' ' 5' ' ' ILE . 1.0 OUTLIER 69.56 116.75 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.442 -0.786 . . . . 0.0 110.354 179.75 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.456 ' HA2' ' HA ' ' A' ' 4' ' ' CLG . . . -109.23 101.98 1.57 Allowed Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.97 71.64 0.57 Allowed Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 177.1 -69.4 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.26 -1.141 . . . . 0.0 110.233 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 119.839 -1.788 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 15.8 mtmt -124.58 45.27 2.56 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.136 -0.977 . . . . 0.0 110.381 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -104.54 112.36 25.4 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.276 -0.89 . . . . 0.0 110.086 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -98.88 102.08 13.69 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.128 -0.982 . . . . 0.0 110.407 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.592 ' HB ' ' CG ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -112.6 173.54 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.258 -0.901 . . . . 0.0 109.165 179.649 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.71 HG23 ' HB ' ' A' ' 21' ' ' VAL . 12.3 tt -170.46 140.72 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.031 -1.043 . . . . 0.0 110.647 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . 0.619 ' HG2' ' CZ ' ' B' ' 20' ' ' PHE . 0.0 OUTLIER -172.23 147.71 2.04 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.335 -0.853 . . . . 0.0 110.107 179.634 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . 0.653 ' CD1' HG23 ' B' ' 19' ' ' THR . 0.7 OUTLIER -115.87 116.59 28.26 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.718 -0.614 . . . . 0.0 109.365 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . 0.6 ' CD1' ' CG ' ' A' ' 18' ' ' GLN . 5.7 t80 -150.53 100.59 2.87 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.917 -1.114 . . . . 0.0 111.089 -179.294 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . 0.647 ' CB ' ' HA ' ' B' ' 17' ' ' ABA . 10.7 t80 -114.76 -86.36 0.6 Allowed 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.028 -1.045 . . . . 0.0 109.92 178.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . 0.947 ' HA ' HD12 ' A' ' 16' ' ' LEU . 9.0 t30 175.28 -34.08 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.513 -0.742 . . . . 0.0 110.021 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . 0.633 ' HB3' ' HA3' ' B' ' 15' ' ' GLY . . . -90.09 129.76 36.34 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.314 -0.866 . . . . 0.0 110.21 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.481 ' HE2' ' OD1' ' B' ' 14' ' ' ASP . 0.0 OUTLIER -41.88 -78.05 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.228 -0.92 . . . . 0.0 110.489 -179.863 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.481 ' OD1' ' HE2' ' B' ' 13' ' ' LYS . 19.4 p-10 -83.76 14.45 3.93 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.981 -1.074 . . . . 0.0 110.439 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.633 ' HA3' ' HB3' ' B' ' 12' ' ' ALA . . . -87.91 19.11 35.7 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' CLH . . . . . 0.506 ' OL ' ' CZ ' ' B' ' 8' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ABA . . . . . 0.647 ' HA ' ' CB ' ' B' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.516 ' CB ' ' O ' ' B' ' 9' ' ' PHE . 22.3 tt0 -25.59 87.83 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.199 0 CA-C-O 121.344 0.593 . . . . 0.0 111.129 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.653 HG23 ' CD1' ' B' ' 8' ' ' TYR . 18.6 m -97.21 110.04 22.67 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.413 -0.804 . . . . 0.0 111.128 -178.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.619 ' CZ ' ' HG2' ' B' ' 7' ' ' ARG . 38.9 p90 -133.64 128.3 34.79 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.172 -0.955 . . . . 0.0 110.121 178.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.695 HG11 ' HI2' ' A' ' 4' ' ' CLG . 1.4 t -106.79 -148.85 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 121.376 -0.827 . . . . 0.0 110.336 -179.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . 0.609 ' CG ' ' O ' ' B' ' 21' ' ' VAL . 39.6 p90 40.25 -165.79 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.778 0 CA-C-O 121.273 0.559 . . . . 0.0 110.542 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.425 ' N ' ' CD1' ' B' ' 22' ' ' TYR . . . -106.76 -69.2 0.7 Allowed Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 121.92 48.61 0.27 Allowed Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 7.6 t -97.81 101.76 13.35 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.258 -1.143 . . . . 0.0 110.26 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.383 0 O-C-N 119.881 -1.762 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MPT . . . . . 0.49 ' C ' ' HG3' ' A' ' 2' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.49 ' HG3' ' C ' ' A' ' 1' ' ' MPT . 10.1 mttt -128.76 -119.39 0.24 Allowed 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.237 -0.914 . . . . 0.0 109.627 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.541 ' O ' ' C ' ' A' ' 4' ' ' CLG . . . -77.8 52.89 1.07 Allowed 'General case' 0 C--N 1.286 -2.171 0 O-C-N 121.635 -0.666 . . . . 0.0 110.021 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CLG . . . . . 0.541 ' C ' ' O ' ' A' ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.633 ' O ' HG13 ' A' ' 21' ' ' VAL . 2.8 mp -62.59 176.72 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.3 -0.875 . . . . 0.0 110.442 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.802 HD12 ' CG2' ' A' ' 21' ' ' VAL . 0.5 OUTLIER -143.75 107.35 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.285 -0.885 . . . . 0.0 110.098 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.49 140.99 52.01 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.275 -0.89 . . . . 0.0 110.244 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.443 ' O ' ' CD1' ' A' ' 9' ' ' PHE . 0.3 OUTLIER -119.92 142.3 48.84 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.3 -0.875 . . . . 0.0 110.256 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.443 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 43.4 m-85 -143.28 104.21 4.23 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.306 -0.871 . . . . 0.0 110.143 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.605 ' HA ' ' HG3' ' A' ' 17' ' ' ABA . 54.5 t80 -56.38 139.33 49.07 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.207 -0.933 . . . . 0.0 110.235 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.467 ' O ' ' O ' ' A' ' 12' ' ' ALA . 9.9 t30 -150.46 93.62 2.0 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.302 -0.874 . . . . 0.0 110.038 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.467 ' O ' ' O ' ' A' ' 11' ' ' ASN . . . -58.22 -116.93 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.327 -0.858 . . . . 0.0 110.142 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER 51.53 80.52 0.08 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.811 -1.18 . . . . 0.0 109.349 -179.678 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.458 ' CB ' ' O ' ' A' ' 13' ' ' LYS . 4.9 t70 67.78 8.03 6.13 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.333 -0.855 . . . . 0.0 109.409 -178.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 71.3 94.07 0.07 OUTLIER Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.606 -1.398 . . . . 0.0 109.606 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.527 ' O ' ' C ' ' A' ' 17' ' ' ABA . 3.1 tp -150.25 53.96 0.91 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.255 -1.144 . . . . 0.0 110.199 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ABA . . . . . 0.605 ' HG3' ' HA ' ' A' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.474 ' HG2' ' CE2' ' B' ' 9' ' ' PHE . 15.6 mt-30 -71.57 142.19 50.04 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.311 -0.868 . . . . 0.0 110.214 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.449 ' HB ' ' HB3' ' B' ' 8' ' ' TYR . 49.4 m -131.08 121.96 25.9 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.303 -0.873 . . . . 0.0 110.188 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -118.32 134.86 54.68 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.327 -0.858 . . . . 0.0 110.244 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.802 ' CG2' HD12 ' A' ' 6' ' ' ILE . 16.5 t -126.7 145.62 33.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.22 -0.925 . . . . 0.0 110.153 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.589 ' HA ' HG23 ' B' ' 5' ' ' ILE . 28.1 p90 -138.83 122.7 17.71 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.184 -0.948 . . . . 0.0 110.125 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.85 -166.81 0.23 Allowed Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.441 ' O ' ' SG ' ' A' ' 25' ' ' CYS . . . -130.02 60.69 0.67 Allowed Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.441 ' SG ' ' O ' ' A' ' 24' ' ' GLY . 67.0 m -151.82 -97.75 0.06 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.297 -1.119 . . . . 0.0 110.18 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.331 0 O-C-N 119.807 -1.808 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MPT . . . . . 0.436 ' C ' ' N ' ' B' ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' B' ' 1' ' ' MPT . 0.0 OUTLIER 41.23 31.92 0.17 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.452 -0.78 . . . . 0.0 110.302 -179.849 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.436 ' N ' ' C ' ' B' ' 1' ' ' MPT . . . -110.89 61.97 0.61 Allowed 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.578 -0.701 . . . . 0.0 109.455 179.295 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.621 ' CB ' ' HA3' ' B' ' 23' ' ' GLY . 0.0 OUTLIER -131.09 -135.79 0.2 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.337 -0.852 . . . . 0.0 110.586 -178.873 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.736 HG23 ' O ' ' A' ' 21' ' ' VAL . 92.1 mt -90.66 150.23 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.09 -1.007 . . . . 0.0 110.212 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 76.9 mt -131.29 118.97 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.24 -0.912 . . . . 0.0 110.225 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . 0.49 ' O ' ' HA ' ' B' ' 19' ' ' THR . 3.6 mtm180 -74.07 155.34 38.61 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.254 -0.904 . . . . 0.0 110.15 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . 0.554 ' O ' ' CD1' ' B' ' 9' ' ' PHE . 2.5 m-85 -149.0 158.31 44.09 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.379 -0.826 . . . . 0.0 110.193 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . 0.554 ' CD1' ' O ' ' B' ' 8' ' ' TYR . 8.5 m-85 -146.6 79.84 1.54 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.195 -0.941 . . . . 0.0 110.255 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . 0.976 ' HA ' ' HG2' ' B' ' 17' ' ' ABA . 82.8 t80 -50.46 107.51 0.17 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.226 -0.922 . . . . 0.0 110.234 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . 0.481 ' HB3' ' O ' ' B' ' 15' ' ' GLY . 1.7 t-20 -96.97 -160.7 0.82 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.28 -0.888 . . . . 0.0 110.145 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.05 -165.72 1.42 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.18 -0.95 . . . . 0.0 110.303 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.452 ' O ' ' CB ' ' B' ' 14' ' ' ASP . 0.0 OUTLIER -57.33 141.0 48.53 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.286 -0.884 . . . . 0.0 110.045 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.452 ' CB ' ' O ' ' B' ' 13' ' ' LYS . 0.9 OUTLIER 65.8 9.2 5.84 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.231 -0.918 . . . . 0.0 110.126 -179.807 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.546 ' O ' ' C ' ' B' ' 16' ' ' CLH . . . -111.44 65.57 0.25 Allowed Glycine 0 N--CA 1.489 2.201 0 N-CA-C 109.225 -1.55 . . . . 0.0 109.225 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' CLH . . . . . 0.546 ' C ' ' O ' ' B' ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ABA . . . . . 0.976 ' HG2' ' HA ' ' B' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.511 ' HB3' ' CZ ' ' B' ' 20' ' ' PHE . 9.3 mt-30 -65.64 110.93 2.94 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.277 -0.889 . . . . 0.0 109.936 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.57 ' O ' ' CD1' ' B' ' 20' ' ' PHE . 5.5 t -105.1 150.74 24.76 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.166 -0.959 . . . . 0.0 110.424 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.57 ' CD1' ' O ' ' B' ' 19' ' ' THR . 6.5 m-85 -134.67 -161.6 1.16 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.21 -0.932 . . . . 0.0 110.188 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.462 ' O ' ' HB2' ' B' ' 22' ' ' TYR . 32.9 m -127.68 158.87 39.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.298 -0.876 . . . . 0.0 110.373 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . 0.462 ' HB2' ' O ' ' B' ' 21' ' ' VAL . 76.7 t80 -178.85 51.29 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.322 -0.861 . . . . 0.0 109.969 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.621 ' HA3' ' CB ' ' B' ' 4' ' ' ARG . . . -110.15 -140.42 8.62 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.879 -1.288 . . . . 0.0 109.879 -179.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . 0.522 ' O ' ' N ' ' B' ' 26' ' ' NH2 . . . -169.31 -48.29 0.03 OUTLIER Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.225 -1.55 . . . . 0.0 109.225 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 58.95 -75.94 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.319 -1.107 . . . . 0.0 110.3 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' NH2 . . . . . 0.522 ' N ' ' O ' ' B' ' 24' ' ' GLY . . . . . . . . 0 C--N 1.305 -1.355 0 O-C-N 119.768 -1.832 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm -124.27 48.02 1.99 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.184 -0.947 . . . . 0.0 110.266 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -105.68 55.83 0.68 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.306 -0.871 . . . . 0.0 110.252 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CLG . . . . . 0.518 ' HE3' HD12 ' B' ' 6' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 44.6 mt -115.13 106.15 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.24 -0.912 . . . . 0.0 110.172 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.8 mt -76.37 100.75 2.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.309 -0.87 . . . . 0.0 110.183 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 20' ' ' PHE . 0.8 OUTLIER -117.5 133.45 55.95 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.301 -0.874 . . . . 0.0 110.2 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.55 ' O ' ' CD1' ' A' ' 9' ' ' PHE . 27.1 p90 -144.1 -172.55 3.79 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.211 -0.931 . . . . 0.0 110.253 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.657 ' O ' ' HG3' ' A' ' 17' ' ' ABA . 43.9 m-85 -148.56 -164.78 2.1 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.313 -0.867 . . . . 0.0 110.162 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -142.49 110.47 5.92 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.242 -0.911 . . . . 0.0 110.259 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -99.4 80.89 2.46 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.266 -0.896 . . . . 0.0 110.158 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.25 -27.03 69.07 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.258 -0.901 . . . . 0.0 110.216 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.77 -80.33 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.238 -0.914 . . . . 0.0 109.329 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.53 -2.89 24.58 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.33 -0.857 . . . . 0.0 109.445 178.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.45 56.16 23.26 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.441 ' CD1' ' HB2' ' B' ' 11' ' ' ASN . 5.8 tp -148.55 80.64 1.45 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.328 -1.101 . . . . 0.0 110.241 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ABA . . . . . 0.657 ' HG3' ' O ' ' A' ' 9' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.495 ' HG2' ' CZ ' ' B' ' 9' ' ' PHE . 3.7 mt-30 -133.69 139.99 46.76 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.194 -0.941 . . . . 0.0 110.215 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.622 HG22 ' HB2' ' B' ' 8' ' ' TYR . 43.4 m -122.17 96.56 5.1 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.238 -0.914 . . . . 0.0 110.208 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.407 ' O ' ' O ' ' A' ' 7' ' ' ARG . 52.8 t80 -101.3 118.96 38.02 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.282 -0.886 . . . . 0.0 110.198 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.474 HG12 ' N ' ' A' ' 22' ' ' TYR . 30.9 t -111.81 168.74 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.344 -0.848 . . . . 0.0 110.299 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.474 ' N ' HG12 ' A' ' 21' ' ' VAL . 7.4 t80 -140.04 113.26 8.35 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.229 -0.92 . . . . 0.0 110.198 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.83 -166.87 25.2 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -126.45 -42.32 0.3 Allowed Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.556 -1.417 . . . . 0.0 109.556 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 14.4 p -153.22 143.78 22.6 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.19 -1.182 . . . . 0.0 110.177 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.36 0 O-C-N 119.82 -1.8 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 24.8 ttmt 43.89 41.92 4.2 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.209 -0.932 . . . . 0.0 110.126 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.571 ' HB3' ' O ' ' B' ' 22' ' ' TYR . . . -110.34 -166.86 1.12 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.383 -0.823 . . . . 0.0 110.182 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.43 ' HB3' ' O ' ' B' ' 3' ' ' ALA . 0.0 OUTLIER 179.08 47.86 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.246 -0.909 . . . . 0.0 110.177 179.866 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 12.2 mt -136.63 99.77 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.265 -0.897 . . . . 0.0 110.204 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.518 HD12 ' HE3' ' A' ' 4' ' ' CLG . 34.0 mt -71.17 117.63 14.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.31 -0.869 . . . . 0.0 110.202 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.23 120.94 37.44 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.252 -0.905 . . . . 0.0 110.171 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . 0.622 ' HB2' HG22 ' A' ' 19' ' ' THR . 1.9 m-85 -113.73 165.89 12.09 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.352 -0.842 . . . . 0.0 110.127 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . 0.495 ' CZ ' ' HG2' ' A' ' 18' ' ' GLN . 0.2 OUTLIER -149.51 135.23 18.63 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.209 -0.932 . . . . 0.0 110.327 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . 0.434 ' CG ' ' O ' ' B' ' 10' ' ' TYR . 28.3 t80 -114.87 38.09 3.26 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.247 -0.908 . . . . 0.0 110.251 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . 0.441 ' HB2' ' CD1' ' A' ' 16' ' ' LEU . 12.3 p30 -60.37 -153.18 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.286 -0.884 . . . . 0.0 110.234 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -47.55 130.58 14.03 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.186 -0.946 . . . . 0.0 110.207 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.77 -18.79 9.2 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.282 -0.886 . . . . 0.0 110.202 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -56.63 -27.62 58.8 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.201 -0.937 . . . . 0.0 110.249 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.466 ' O ' ' C ' ' B' ' 16' ' ' CLH . . . -94.21 14.15 65.9 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' CLH . . . . . 0.466 ' C ' ' O ' ' B' ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ABA . . . . . 0.491 ' CG ' ' O ' ' B' ' 9' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.421 ' HB2' ' HB3' ' B' ' 9' ' ' PHE . 0.7 OUTLIER -61.18 160.51 10.21 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.26 -0.9 . . . . 0.0 110.257 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -146.33 154.3 41.51 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.282 -0.886 . . . . 0.0 110.199 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -123.11 175.46 6.62 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.306 -0.871 . . . . 0.0 110.217 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 40.3 t -134.27 71.98 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.268 -0.895 . . . . 0.0 110.208 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . 0.571 ' O ' ' HB3' ' B' ' 3' ' ' ALA . 0.1 OUTLIER -83.41 -0.76 51.39 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.338 -0.851 . . . . 0.0 110.237 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -108.56 12.66 35.89 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -123.48 -70.31 0.23 Allowed Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 49.11 -156.03 0.08 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.193 -1.18 . . . . 0.0 110.175 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.347 0 O-C-N 119.825 -1.797 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.521 ' O ' ' N ' ' A' ' 24' ' ' GLY . 0.8 OUTLIER -141.53 77.64 1.6 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.195 -0.941 . . . . 0.0 110.069 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 25' ' ' CYS . . . -98.07 58.5 1.34 Allowed 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.271 -0.893 . . . . 0.0 110.129 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CLG . . . . . 0.565 ' HB3' ' HA2' ' A' ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' A' ' 6' ' ' ILE . 1.1 pt -121.79 133.78 67.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.067 -1.02 . . . . 0.0 110.353 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.735 ' HA ' HG22 ' A' ' 21' ' ' VAL . 57.6 mt -43.55 150.67 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.322 -0.862 . . . . 0.0 109.728 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.441 ' HA ' ' HD2' ' A' ' 7' ' ' ARG . 3.0 tpt180 -163.15 110.48 1.21 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.109 -0.994 . . . . 0.0 110.588 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.56 ' CB ' ' O ' ' A' ' 18' ' ' GLN . 3.3 p90 -114.53 161.95 17.35 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.396 -0.815 . . . . 0.0 109.385 179.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.934 ' CE1' HD23 ' A' ' 16' ' ' LEU . 1.5 p90 -111.26 33.56 4.59 Favored 'General case' 0 N--CA 1.496 1.847 0 C-N-CA 118.339 -1.344 . . . . 0.0 110.951 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.718 ' HD1' ' HG3' ' A' ' 17' ' ' ABA . 24.0 t80 1.05 -94.85 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.341 0 CA-C-O 121.346 0.594 . . . . 0.0 112.254 179.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.492 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 80.4 m-20 56.46 85.75 0.07 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.245 -0.91 . . . . 0.0 110.26 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.598 ' HB2' ' CZ ' ' A' ' 10' ' ' TYR . . . -74.43 -10.28 59.41 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.178 -0.951 . . . . 0.0 110.12 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.7 mttm -53.27 -75.02 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.225 -0.922 . . . . 0.0 109.459 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -72.32 -4.2 28.36 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.39 -0.818 . . . . 0.0 109.488 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.637 ' O ' HD12 ' A' ' 16' ' ' LEU . . . 78.49 70.83 1.28 Allowed Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.955 HD11 ' HB2' ' B' ' 11' ' ' ASN . 0.6 OUTLIER -138.57 168.07 20.57 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.359 -1.083 . . . . 0.0 110.113 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ABA . . . . . 0.718 ' HG3' ' HD1' ' A' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.652 ' HB3' ' CE2' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -80.24 144.73 32.66 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.262 -0.899 . . . . 0.0 110.363 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.471 ' HA ' ' HB3' ' A' ' 8' ' ' TYR . 10.9 m -115.23 94.7 4.84 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 121.173 0.511 . . . . 0.0 109.872 179.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.544 ' CZ ' ' CK ' ' A' ' 4' ' ' CLG . 22.6 t80 -95.53 125.6 40.24 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.311 -0.868 . . . . 0.0 110.337 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.735 HG22 ' HA ' ' A' ' 6' ' ' ILE . 4.4 t -136.03 101.17 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.214 -0.929 . . . . 0.0 110.207 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.828 ' CD1' HG22 ' B' ' 5' ' ' ILE . 1.8 t80 -106.09 66.46 0.72 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.191 -0.943 . . . . 0.0 110.526 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.565 ' HA2' ' HB3' ' A' ' 4' ' ' CLG . . . -111.32 -128.41 5.26 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.969 -1.252 . . . . 0.0 109.969 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 2' ' ' LYS . . . 121.58 107.34 2.01 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.335 -1.506 . . . . 0.0 109.335 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' A' ' 3' ' ' ALA . 8.5 t 56.23 162.29 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.2 -1.177 . . . . 0.0 110.108 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . 0.434 ' N ' ' SG ' ' A' ' 25' ' ' CYS . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 119.806 -1.809 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.54 51.77 1.93 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.16 -0.962 . . . . 0.0 109.894 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.764 ' HB2' ' HB2' ' B' ' 22' ' ' TYR . . . -97.68 63.01 1.69 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.307 -0.87 . . . . 0.0 110.631 -179.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.531 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 3.2 tpt180 -90.31 32.09 0.96 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.248 -0.907 . . . . 0.0 109.777 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.828 HG22 ' CD1' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -128.29 53.46 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.692 -0.63 . . . . 0.0 110.732 -179.743 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 1.016 HD12 HG21 ' B' ' 21' ' ' VAL . 1.0 OUTLIER -49.62 118.22 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.02 -1.05 . . . . 0.0 109.473 179.484 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . 0.542 ' HD3' ' CE1' ' B' ' 20' ' ' PHE . 0.0 OUTLIER -127.9 153.85 46.19 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.247 -0.908 . . . . 0.0 110.489 -179.617 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . 0.736 ' CD1' HG23 ' B' ' 19' ' ' THR . 94.9 m-85 -135.14 74.37 1.52 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.538 -0.726 . . . . 0.0 110.18 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . 0.573 ' CB ' ' HG3' ' A' ' 18' ' ' GLN . 5.6 t80 -89.92 127.78 36.09 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.167 -0.958 . . . . 0.0 110.434 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . 0.464 ' O ' ' O ' ' B' ' 11' ' ' ASN . 35.6 t80 -152.24 52.98 0.8 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.279 -0.888 . . . . 0.0 110.098 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . 0.955 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -59.53 -143.21 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.334 -0.854 . . . . 0.0 110.243 179.842 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . 0.532 ' O ' ' N ' ' B' ' 14' ' ' ASP . . . -55.23 135.87 49.27 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.151 -0.968 . . . . 0.0 110.127 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.46 ' O ' ' HB3' ' B' ' 14' ' ' ASP . 0.0 OUTLIER -61.74 73.8 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.367 -0.833 . . . . 0.0 110.18 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' B' ' 12' ' ' ALA . 0.8 OUTLIER 173.52 -28.86 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.335 -0.853 . . . . 0.0 109.987 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.58 -92.45 0.03 OUTLIER Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' CLH . . . . . 0.473 ' O ' ' HG2' ' B' ' 16' ' ' CLH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ABA . . . . . 0.697 ' O ' ' HG3' ' B' ' 17' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.592 ' HG2' ' CE2' ' B' ' 20' ' ' PHE . 4.0 tt0 -118.49 57.6 0.85 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.145 -0.972 . . . . 0.0 110.373 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.736 HG23 ' CD1' ' B' ' 8' ' ' TYR . 23.4 m -111.36 85.77 2.19 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.265 -0.897 . . . . 0.0 109.61 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.592 ' CE2' ' HG2' ' B' ' 18' ' ' GLN . 4.6 p90 -150.41 162.73 40.0 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.095 -1.003 . . . . 0.0 111.06 -179.041 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 1.016 HG21 HD12 ' B' ' 6' ' ' ILE . 8.0 p -151.26 108.98 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.603 -0.686 . . . . 0.0 109.748 179.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . 0.764 ' HB2' ' HB2' ' B' ' 3' ' ' ALA . 0.1 OUTLIER -89.29 10.65 21.48 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.079 -1.013 . . . . 0.0 109.776 -179.857 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.693 ' N ' ' HB3' ' B' ' 3' ' ' ALA . . . -51.66 167.73 0.67 Allowed Glycine 0 N--CA 1.489 2.199 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 151.04 -27.44 1.01 Allowed Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 25.0 p -127.7 -176.83 3.88 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.224 -1.162 . . . . 0.0 110.264 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.308 0 O-C-N 119.941 -1.724 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 62.28 85.31 0.13 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.218 -0.926 . . . . 0.0 110.171 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.78 49.12 1.29 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.219 -0.926 . . . . 0.0 110.166 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CLG . . . . . 0.469 ' HA ' ' O ' ' A' ' 22' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.541 HG23 ' O ' ' A' ' 5' ' ' ILE . 0.8 OUTLIER -50.86 128.36 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.196 -0.94 . . . . 0.0 110.229 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.434 HG22 ' CD1' ' A' ' 8' ' ' TYR . 17.8 mt -98.62 77.8 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.283 -0.885 . . . . 0.0 110.217 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -93.76 102.0 14.13 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.209 -0.932 . . . . 0.0 110.136 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.533 ' O ' ' CD1' ' A' ' 9' ' ' PHE . 31.1 p90 -134.52 177.16 7.99 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.224 -0.922 . . . . 0.0 110.23 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.533 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 11.8 m-85 -134.08 72.72 1.47 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.279 -0.888 . . . . 0.0 110.108 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.696 ' HA ' ' HG3' ' A' ' 17' ' ' ABA . 22.4 t80 -50.72 147.47 4.76 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.218 -0.926 . . . . 0.0 110.3 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.422 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 20.9 t-20 -164.81 76.49 0.3 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.294 -0.879 . . . . 0.0 110.059 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.58 -31.71 64.51 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.315 -0.866 . . . . 0.0 110.172 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.82 -71.6 0.06 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.175 -0.953 . . . . 0.0 109.238 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.21 -2.44 48.71 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.442 -0.786 . . . . 0.0 109.305 178.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.476 ' O ' ' O ' ' B' ' 11' ' ' ASN . . . 69.96 12.66 68.48 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.433 ' HA ' ' O ' ' B' ' 11' ' ' ASN . 1.6 tt -89.43 114.6 26.09 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.293 -1.122 . . . . 0.0 110.141 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ABA . . . . . 0.696 ' HG3' ' HA ' ' A' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.417 ' O ' ' HA ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -61.82 108.03 0.94 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.215 -0.928 . . . . 0.0 110.124 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.461 ' HB ' ' O ' ' B' ' 8' ' ' TYR . 17.1 m -102.32 89.89 3.72 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.165 -0.96 . . . . 0.0 110.292 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.624 ' CE2' ' NH1' ' B' ' 7' ' ' ARG . 1.9 t80 -94.23 121.17 35.47 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.281 -0.887 . . . . 0.0 110.16 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.8 t -116.58 161.97 14.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.269 -0.895 . . . . 0.0 110.403 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.742 ' CE1' HD12 ' B' ' 5' ' ' ILE . 10.9 t80 -167.07 177.3 6.34 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.253 -0.905 . . . . 0.0 110.234 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -108.4 136.76 13.71 Favored Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.476 -1.449 . . . . 0.0 109.476 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -119.38 -65.54 0.29 Allowed Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.674 -1.371 . . . . 0.0 109.674 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.68 -50.36 72.78 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.301 -1.117 . . . . 0.0 110.313 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.364 0 O-C-N 119.873 -1.767 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt 49.1 58.17 5.67 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.287 -0.883 . . . . 0.0 110.183 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.08 -162.99 0.72 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.185 -0.947 . . . . 0.0 110.251 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -141.37 -60.05 0.48 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.211 -0.93 . . . . 0.0 110.266 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.742 HD12 ' CE1' ' A' ' 22' ' ' TYR . 9.9 tt -144.03 76.38 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 O-C-N 121.508 -0.745 . . . . 0.0 110.282 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.675 HD11 ' OH ' ' B' ' 8' ' ' TYR . 7.4 tt -110.24 174.07 2.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.302 -0.874 . . . . 0.0 110.112 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . 0.624 ' NH1' ' CE2' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -165.92 113.11 0.91 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.237 -0.914 . . . . 0.0 110.508 -179.9 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . 0.675 ' OH ' HD11 ' B' ' 6' ' ' ILE . 91.3 m-85 -101.33 123.92 46.2 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.422 -0.799 . . . . 0.0 109.9 179.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . 0.53 ' O ' ' CB ' ' B' ' 18' ' ' GLN . 11.8 t80 -150.58 94.1 2.05 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.022 -1.049 . . . . 0.0 110.916 -179.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . 0.76 ' HB2' ' N ' ' B' ' 17' ' ' ABA . 1.3 t80 -76.04 -87.33 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.952 -1.092 . . . . 0.0 109.704 179.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . 0.597 ' N ' ' CG ' ' B' ' 10' ' ' TYR . 4.3 t-20 161.12 -81.87 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 -179.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . 0.569 ' O ' ' CD2' ' B' ' 10' ' ' TYR . . . -92.43 -155.92 0.45 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.198 -0.939 . . . . 0.0 111.028 179.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 40.24 -152.21 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.622 -0.674 . . . . 0.0 111.357 179.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.13 -10.31 6.13 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.46 -0.775 . . . . 0.0 111.105 -179.209 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.639 ' HA2' ' HB3' ' B' ' 10' ' ' TYR . . . 74.37 69.53 1.38 Allowed Glycine 0 N--CA 1.489 2.181 0 C-N-CA 119.746 -1.216 . . . . 0.0 110.411 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' CLH . . . . . 0.657 ' C ' ' HB2' ' B' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ABA . . . . . 0.76 ' N ' ' HB2' ' B' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.53 ' CB ' ' O ' ' B' ' 9' ' ' PHE . 1.7 tt0 53.28 65.89 1.39 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.121 -0.987 . . . . 0.0 109.232 -179.093 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.609 ' CG2' ' CE2' ' B' ' 8' ' ' TYR . 36.3 m -103.24 143.58 32.45 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.418 -0.801 . . . . 0.0 110.467 -179.461 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.449 ' O ' HG13 ' B' ' 6' ' ' ILE . 13.0 m-30 -103.27 123.32 46.55 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.358 -0.839 . . . . 0.0 110.073 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 38.5 t -89.85 126.95 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.198 -0.939 . . . . 0.0 110.2 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . 0.684 ' HB3' HG23 ' B' ' 5' ' ' ILE . 2.2 t80 -166.72 -46.33 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.246 -0.909 . . . . 0.0 110.233 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.55 -70.13 1.06 Allowed Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.68 105.28 3.01 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 16.0 m -114.41 139.96 49.07 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.212 -1.169 . . . . 0.0 110.247 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.308 0 O-C-N 119.939 -1.726 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.25 51.03 0.99 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.223 -0.923 . . . . 0.0 110.115 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -109.13 47.9 0.9 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.317 -0.865 . . . . 0.0 110.225 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CLG . . . . . 0.448 ' O ' ' O ' ' A' ' 5' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.758 ' O ' HG23 ' A' ' 21' ' ' VAL . 5.8 mt -46.48 173.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.169 -0.957 . . . . 0.0 110.221 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.584 ' N ' HG22 ' A' ' 5' ' ' ILE . 15.2 mm -143.89 115.47 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.197 -0.939 . . . . 0.0 110.297 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.418 ' HG3' ' C ' ' A' ' 6' ' ' ILE . 1.4 mtp-105 -129.68 111.28 12.51 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.254 -0.904 . . . . 0.0 110.156 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.751 ' HB3' HG23 ' A' ' 19' ' ' THR . 52.9 p90 -130.57 176.64 8.0 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.218 -0.926 . . . . 0.0 110.319 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.466 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 30.6 m-85 -146.3 89.53 1.87 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.307 -0.871 . . . . 0.0 110.184 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.426 ' C ' ' O ' ' A' ' 9' ' ' PHE . 33.6 t80 -42.42 106.86 0.07 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.312 -0.868 . . . . 0.0 110.351 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.422 ' HB3' ' OD1' ' A' ' 14' ' ' ASP . 1.0 OUTLIER -106.11 96.23 6.33 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.256 -0.903 . . . . 0.0 110.144 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.97 -26.7 59.78 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.166 -0.959 . . . . 0.0 110.243 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -50.85 -75.54 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.231 -0.918 . . . . 0.0 109.372 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 31.5 p-10 -78.44 0.52 25.5 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.4 -0.813 . . . . 0.0 109.476 178.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.917 ' O ' HD22 ' A' ' 16' ' ' LEU . . . 57.97 62.18 6.59 Favored Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.367 -1.493 . . . . 0.0 109.367 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.917 HD22 ' O ' ' A' ' 15' ' ' GLY . 0.5 OUTLIER -142.48 105.97 4.64 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.29 -1.124 . . . . 0.0 110.111 -179.795 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.505 ' N ' ' O ' ' A' ' 16' ' ' LEU . 1.6 tt0 -55.89 101.64 0.06 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.441 -0.787 . . . . 0.0 110.544 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.751 HG23 ' HB3' ' A' ' 8' ' ' TYR . 17.3 m -116.59 90.46 3.34 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.309 -0.869 . . . . 0.0 109.812 179.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.594 ' CD2' ' HD2' ' B' ' 7' ' ' ARG . 0.2 OUTLIER -89.53 124.28 34.38 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.32 -0.862 . . . . 0.0 110.387 -179.663 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.987 HG13 HG23 ' B' ' 6' ' ' ILE . 1.9 p -121.6 158.95 24.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.288 -0.882 . . . . 0.0 110.262 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.513 ' HA ' ' HA ' ' B' ' 5' ' ' ILE . 19.6 t80 -114.18 112.65 23.52 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.25 -0.906 . . . . 0.0 110.027 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.44 -108.43 0.01 OUTLIER Glycine 0 N--CA 1.489 2.201 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 121.23 -12.72 9.67 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 97.7 m -121.29 115.11 22.36 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.338 -1.095 . . . . 0.0 110.167 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 119.84 -1.787 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.4 ' HE2' ' HB2' ' B' ' 2' ' ' LYS . 1.6 mppt? 55.17 65.81 1.39 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.215 -0.928 . . . . 0.0 110.155 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.43 -166.19 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.275 -0.891 . . . . 0.0 110.291 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.494 ' HG3' ' HA2' ' B' ' 23' ' ' GLY . 0.0 OUTLIER -155.29 -152.44 0.4 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.268 -0.895 . . . . 0.0 110.226 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.594 HD12 ' OH ' ' B' ' 22' ' ' TYR . 15.2 mt -82.61 86.66 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.138 -0.976 . . . . 0.0 110.113 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.987 HG23 HG13 ' A' ' 21' ' ' VAL . 2.0 tt -54.01 133.46 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.174 -0.954 . . . . 0.0 110.091 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . 0.594 ' HD2' ' CD2' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -102.32 96.73 7.15 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.164 -0.96 . . . . 0.0 110.273 -179.812 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . 0.661 ' CE2' HG21 ' B' ' 19' ' ' THR . 0.3 OUTLIER -80.11 63.41 4.6 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.249 -0.907 . . . . 0.0 110.129 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . 0.696 ' CE1' HD12 ' A' ' 16' ' ' LEU . 78.7 t80 -89.96 118.7 29.73 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.254 -0.904 . . . . 0.0 109.941 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . 0.576 ' CD1' ' HA ' ' B' ' 17' ' ' ABA . 7.5 t80 -124.38 146.61 48.76 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.261 -0.9 . . . . 0.0 110.535 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . 0.715 ' ND2' HD21 ' A' ' 16' ' ' LEU . 12.3 t-20 -122.13 -156.95 0.71 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.389 -0.819 . . . . 0.0 109.613 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.26 -142.95 0.16 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.126 -0.984 . . . . 0.0 110.245 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.462 ' CE ' ' O ' ' B' ' 13' ' ' LYS . 0.0 OUTLIER 47.21 23.51 0.33 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.325 -0.86 . . . . 0.0 110.147 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' B' ' 13' ' ' LYS . 14.7 t0 42.67 56.5 3.86 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.305 -0.872 . . . . 0.0 109.97 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.553 ' O ' ' C ' ' B' ' 16' ' ' CLH . . . -79.64 45.68 2.94 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 110.376 -1.09 . . . . 0.0 110.376 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' CLH . . . . . 0.553 ' C ' ' O ' ' B' ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ABA . . . . . 0.576 ' HA ' ' CD1' ' B' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.519 ' CB ' ' O ' ' B' ' 9' ' ' PHE . 0.0 OUTLIER -95.94 80.11 3.31 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.022 -1.049 . . . . 0.0 110.144 179.85 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.661 HG21 ' CE2' ' B' ' 8' ' ' TYR . 21.5 p -105.8 125.34 50.88 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.19 -0.944 . . . . 0.0 110.239 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.508 ' CZ ' ' HG2' ' B' ' 7' ' ' ARG . 35.2 p90 -150.12 154.64 38.41 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.267 -0.896 . . . . 0.0 110.308 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.946 HG12 ' HA ' ' B' ' 6' ' ' ILE . 4.2 m -117.32 -175.64 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.321 -0.862 . . . . 0.0 110.107 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . 0.594 ' OH ' HD12 ' B' ' 5' ' ' ILE . 8.0 p90 -143.9 22.32 1.76 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.176 -0.953 . . . . 0.0 110.286 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.494 ' HA2' ' HG3' ' B' ' 4' ' ' ARG . . . -67.82 -52.03 31.51 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.1 48.59 0.6 Allowed Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.521 -1.431 . . . . 0.0 109.521 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 49.0 t -86.13 -73.24 0.46 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.325 -1.103 . . . . 0.0 110.185 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 119.882 -1.761 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -148.56 48.0 1.03 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.343 -0.848 . . . . 0.0 110.156 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -110.0 57.46 0.61 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.303 -0.873 . . . . 0.0 110.245 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CLG . . . . . 0.473 ' O ' ' N ' ' A' ' 6' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.675 HG23 ' O ' ' A' ' 5' ' ' ILE . 6.8 tt -56.6 86.37 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.246 -0.909 . . . . 0.0 110.221 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.684 ' HA ' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -56.7 84.31 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 121.255 -0.903 . . . . 0.0 110.283 -179.858 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.503 ' CB ' ' O ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -75.19 81.95 2.34 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.246 -0.909 . . . . 0.0 109.963 179.758 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.823 ' CE1' HG23 ' A' ' 19' ' ' THR . 6.8 m-85 -96.98 125.77 41.64 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.244 -0.91 . . . . 0.0 110.51 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.523 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 17.5 m-85 -141.97 125.91 17.19 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.288 -0.882 . . . . 0.0 109.785 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.496 ' HA ' ' O ' ' A' ' 16' ' ' LEU . 11.9 t80 -120.71 148.87 43.36 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.179 -0.951 . . . . 0.0 110.731 -179.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.47 ' O ' ' N ' ' A' ' 15' ' ' GLY . 48.2 t-20 -137.07 90.23 2.51 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.451 -0.781 . . . . 0.0 109.882 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -50.55 -36.79 36.15 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.34 -0.85 . . . . 0.0 110.338 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.503 ' HE3' ' CA ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -49.11 -80.65 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.158 -0.964 . . . . 0.0 109.371 179.783 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -74.69 -2.0 24.33 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.356 -0.84 . . . . 0.0 109.362 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 11' ' ' ASN . . . 60.21 71.11 0.83 Allowed Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.496 ' O ' ' HA ' ' A' ' 10' ' ' TYR . 1.5 tt -139.43 127.73 22.7 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.233 -1.157 . . . . 0.0 110.293 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ABA . . . . . 0.428 ' HA ' ' HA ' ' A' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.456 ' HG3' ' CE2' ' A' ' 20' ' ' PHE . 0.8 OUTLIER -75.31 147.52 40.08 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.243 -0.911 . . . . 0.0 110.021 179.744 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.823 HG23 ' CE1' ' A' ' 8' ' ' TYR . 20.2 m -147.42 64.96 1.14 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.274 -0.891 . . . . 0.0 110.349 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.575 ' CD1' ' HG2' ' B' ' 7' ' ' ARG . 14.5 m-30 -90.89 151.67 21.04 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.279 -0.888 . . . . 0.0 110.055 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.718 HG22 HG13 ' B' ' 6' ' ' ILE . 13.0 m -143.03 -162.74 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.15 -0.968 . . . . 0.0 110.413 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.431 ' CD2' HG13 ' B' ' 5' ' ' ILE . 3.3 t80 -176.59 94.57 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.233 -0.917 . . . . 0.0 110.15 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' B' ' 4' ' ' ARG . . . -108.78 -167.67 20.83 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.456 ' HA2' ' HB3' ' B' ' 4' ' ' ARG . . . -152.46 -97.73 0.16 Allowed Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' A' ' 24' ' ' GLY . 2.9 t 43.98 27.31 0.18 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.195 -1.179 . . . . 0.0 110.248 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 119.883 -1.76 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 11.5 mttm 57.7 84.97 0.09 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.243 -0.911 . . . . 0.0 110.191 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.18 114.27 3.34 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.249 -0.907 . . . . 0.0 110.268 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.456 ' HB3' ' HA2' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -172.71 87.31 0.07 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.183 -0.948 . . . . 0.0 110.191 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.764 ' C ' HD13 ' B' ' 5' ' ' ILE . 0.0 OUTLIER -154.5 137.24 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.289 -0.882 . . . . 0.0 110.272 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.718 HG13 HG22 ' A' ' 21' ' ' VAL . 34.1 pt -123.56 151.01 27.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.327 -0.858 . . . . 0.0 110.017 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . 0.575 ' HG2' ' CD1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -113.27 73.35 0.81 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.278 -0.889 . . . . 0.0 110.411 -179.902 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . 0.484 ' HB2' ' O ' ' A' ' 19' ' ' THR . 1.0 OUTLIER -64.93 142.94 58.26 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.135 -0.978 . . . . 0.0 109.972 179.716 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . 0.522 ' HB3' ' CB ' ' B' ' 18' ' ' GLN . 0.2 OUTLIER -143.92 91.17 2.2 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.129 -0.982 . . . . 0.0 110.334 -179.778 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . 0.496 ' O ' ' HA ' ' B' ' 16' ' ' CLH . 30.2 t80 -54.68 -72.34 0.07 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.24 -0.912 . . . . 0.0 110.338 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . 0.509 ' ND2' ' OE1' ' B' ' 18' ' ' GLN . 2.1 p30 48.46 178.44 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.433 -0.792 . . . . 0.0 110.44 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.37 -98.85 0.1 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.154 -0.966 . . . . 0.0 110.387 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' B' ' 15' ' ' GLY . 0.1 OUTLIER 43.55 35.68 1.03 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.033 -1.042 . . . . 0.0 110.211 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.464 ' C ' ' O ' ' B' ' 13' ' ' LYS . 2.3 p30 36.46 30.08 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.727 -0.608 . . . . 0.0 110.763 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.553 ' O ' ' C ' ' B' ' 16' ' ' CLH . . . -124.88 -31.07 0.9 Allowed Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.617 -1.393 . . . . 0.0 109.617 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' CLH . . . . . 0.553 ' C ' ' O ' ' B' ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ABA . . . . . 0.464 ' O ' ' O ' ' B' ' 9' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.522 ' CB ' ' HB3' ' B' ' 9' ' ' PHE . 17.7 mt-30 41.93 70.04 0.31 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.296 -0.877 . . . . 0.0 110.182 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.522 HG22 HG13 ' B' ' 21' ' ' VAL . 85.9 m -104.0 135.93 44.59 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.219 -0.926 . . . . 0.0 110.286 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.586 ' HB3' ' CE2' ' B' ' 22' ' ' TYR . 3.5 m-85 -120.69 90.49 3.33 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.232 -0.917 . . . . 0.0 110.045 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.586 HG23 ' O ' ' B' ' 21' ' ' VAL . 14.6 m -98.16 124.14 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.26 -0.9 . . . . 0.0 110.372 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . 0.588 ' CD1' ' N ' ' B' ' 22' ' ' TYR . 0.0 OUTLIER -177.33 66.78 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.277 -0.889 . . . . 0.0 110.314 179.844 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -48.87 119.42 5.9 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.474 -1.451 . . . . 0.0 109.474 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.74 50.54 0.76 Allowed Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 36.7 t -107.3 118.47 36.81 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.264 -1.139 . . . . 0.0 110.206 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 119.826 -1.796 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MPT . . . . . 0.593 ' C ' ' CD ' ' A' ' 2' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.593 ' CD ' ' C ' ' A' ' 1' ' ' MPT . 0.0 OUTLIER 36.15 42.51 0.18 Allowed 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.703 -0.623 . . . . 0.0 110.81 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.466 ' O ' ' HD2' ' A' ' 4' ' ' CLG . . . -110.47 37.74 2.66 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.296 -0.877 . . . . 0.0 110.209 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CLG . . . . . 0.562 ' HB3' ' HA2' ' A' ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.613 HG22 ' H ' ' A' ' 6' ' ' ILE . 22.5 mt -75.39 179.44 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.29 -0.881 . . . . 0.0 109.814 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.613 ' H ' HG22 ' A' ' 5' ' ' ILE . 2.5 mt -40.05 94.24 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.329 -0.857 . . . . 0.0 110.51 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.638 ' CB ' ' CE2' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -125.29 135.47 52.53 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.302 -0.874 . . . . 0.0 110.177 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.716 ' CZ ' HG23 ' A' ' 19' ' ' THR . 9.6 m-85 -126.14 110.02 13.02 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.422 -0.799 . . . . 0.0 110.293 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.529 ' CD1' ' N ' ' A' ' 9' ' ' PHE . 14.7 m-85 -128.05 92.67 3.5 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.237 -0.915 . . . . 0.0 109.818 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.59 ' HB2' ' HG3' ' A' ' 17' ' ' ABA . 8.9 t80 -97.46 85.33 3.61 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.269 -0.894 . . . . 0.0 110.612 -179.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.504 ' ND2' ' OD1' ' A' ' 14' ' ' ASP . 23.1 p30 -68.23 115.4 7.64 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.255 -0.903 . . . . 0.0 109.516 179.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.46 -23.5 66.28 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.288 -0.883 . . . . 0.0 110.302 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.85 -72.78 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.156 -0.965 . . . . 0.0 109.112 179.55 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.504 ' OD1' ' ND2' ' A' ' 11' ' ' ASN . 17.0 p-10 -87.67 0.28 55.9 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.4 -0.813 . . . . 0.0 109.165 178.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.22 67.09 2.31 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.84 HD12 ' O ' ' B' ' 10' ' ' TYR . 20.2 tp -131.48 102.61 6.0 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.123 -1.222 . . . . 0.0 110.364 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ABA . . . . . 0.59 ' HG3' ' HB2' ' A' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.525 ' HA ' ' CB ' ' B' ' 9' ' ' PHE . 18.7 tt0 -69.87 103.03 2.09 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.28 -0.887 . . . . 0.0 110.302 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.716 HG23 ' CZ ' ' A' ' 8' ' ' TYR . 1.2 m -115.76 101.31 8.7 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.443 -0.786 . . . . 0.0 109.835 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.638 ' CE2' ' CB ' ' A' ' 7' ' ' ARG . 2.5 p90 -116.53 117.85 31.01 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.957 -1.089 . . . . 0.0 109.75 179.617 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.77 HG23 ' O ' ' A' ' 21' ' ' VAL . 15.7 m -113.52 91.3 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.286 -0.884 . . . . 0.0 110.525 -179.115 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.808 ' HB2' HG22 ' B' ' 6' ' ' ILE . 0.4 OUTLIER 159.75 92.27 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -179.854 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.562 ' HA2' ' HB3' ' A' ' 4' ' ' CLG . . . -69.87 -70.14 1.24 Allowed Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 -179.187 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.524 ' O ' ' CA ' ' A' ' 2' ' ' LYS . . . 51.87 -103.09 0.1 OUTLIER Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.857 -1.297 . . . . 0.0 109.857 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.449 ' HA ' ' HB2' ' A' ' 1' ' ' MPT . 0.1 OUTLIER -173.54 -83.75 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.208 -1.172 . . . . 0.0 110.133 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 119.898 -1.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.41 ' HD2' ' HA ' ' B' ' 2' ' ' LYS . 11.2 tptt -97.34 50.47 1.07 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.299 -0.876 . . . . 0.0 110.37 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.522 ' HA ' ' HA2' ' A' ' 24' ' ' GLY . . . -93.71 127.67 39.53 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.208 -0.932 . . . . 0.0 110.28 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.606 ' HB2' ' CD2' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -118.31 138.9 52.07 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.256 -0.903 . . . . 0.0 110.312 -179.775 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.804 ' H ' HD13 ' B' ' 5' ' ' ILE . 0.1 OUTLIER -143.19 124.73 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.262 -0.899 . . . . 0.0 110.582 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.808 HG22 ' HB2' ' A' ' 22' ' ' TYR . 2.3 tt -153.02 119.07 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.18 -0.95 . . . . 0.0 110.063 179.532 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . 0.536 ' HB2' ' CD2' ' B' ' 20' ' ' PHE . 2.6 mmm180 -100.69 102.5 13.62 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.415 -0.803 . . . . 0.0 110.866 -179.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . 0.651 ' CE2' HG21 ' B' ' 19' ' ' THR . 0.2 OUTLIER -102.95 100.47 10.43 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.449 -0.782 . . . . 0.0 109.181 179.246 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . 0.525 ' CB ' ' HA ' ' A' ' 18' ' ' GLN . 11.2 p90 -142.25 159.3 42.51 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.684 -1.26 . . . . 0.0 111.881 -178.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . 0.84 ' O ' HD12 ' A' ' 16' ' ' LEU . 8.6 t80 -124.11 -176.0 3.38 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . 0.523 ' OD1' ' CA ' ' B' ' 17' ' ' ABA . 0.9 OUTLIER 177.17 -177.76 0.17 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.991 -1.068 . . . . 0.0 110.726 -179.804 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.8 -152.9 0.29 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.424 -0.798 . . . . 0.0 110.373 179.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.498 ' O ' ' CB ' ' B' ' 14' ' ' ASP . 1.4 mtpt -63.37 140.49 58.88 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.367 -0.833 . . . . 0.0 110.452 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' B' ' 13' ' ' LYS . 8.4 t70 69.46 3.18 4.05 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.361 -0.837 . . . . 0.0 110.707 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.59 ' O ' ' C ' ' B' ' 16' ' ' CLH . . . -87.79 8.12 78.84 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.86 -1.296 . . . . 0.0 109.86 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' CLH . . . . . 0.59 ' C ' ' O ' ' B' ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ABA . . . . . 0.529 ' HB2' ' HA ' ' B' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.421 ' HA ' ' OE1' ' B' ' 18' ' ' GLN . 1.2 tp-100 174.79 -169.82 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.323 -0.861 . . . . 0.0 110.437 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.651 HG21 ' CE2' ' B' ' 8' ' ' TYR . 16.2 m -138.43 114.68 10.28 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.441 -0.787 . . . . 0.0 109.795 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.536 ' CD2' ' HB2' ' B' ' 7' ' ' ARG . 5.8 m-85 -89.79 134.3 34.26 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.241 -0.912 . . . . 0.0 110.5 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.599 HG13 ' O ' ' B' ' 21' ' ' VAL . 7.3 p -150.68 121.41 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.318 -0.864 . . . . 0.0 110.107 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . 0.661 ' O ' HD11 ' B' ' 5' ' ' ILE . 23.4 p90 -176.45 103.49 0.06 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.042 -1.036 . . . . 0.0 110.171 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.15 161.4 54.35 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.863 -1.295 . . . . 0.0 109.863 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.88 92.88 0.09 OUTLIER Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -90.02 -23.33 21.51 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.31 -1.112 . . . . 0.0 110.389 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.314 0 O-C-N 119.943 -1.723 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MPT . . . . . 0.452 ' O ' ' HB2' ' A' ' 2' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.452 ' HB2' ' O ' ' A' ' 1' ' ' MPT . 20.3 mttp 56.89 47.2 18.29 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.23 -0.919 . . . . 0.0 110.027 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.54 ' O ' ' C ' ' A' ' 4' ' ' CLG . . . -110.37 64.18 0.61 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.328 -0.858 . . . . 0.0 110.08 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CLG . . . . . 0.54 ' C ' ' O ' ' A' ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.591 HG22 ' HE1' ' A' ' 22' ' ' TYR . 20.4 tt -93.64 174.73 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.267 -0.896 . . . . 0.0 110.328 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.893 ' HA ' HG22 ' A' ' 21' ' ' VAL . 77.9 mt -136.42 72.84 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.28 -0.888 . . . . 0.0 110.364 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.602 ' HG2' ' CE2' ' A' ' 9' ' ' PHE . 38.5 ttt-85 -59.22 81.52 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.154 -0.966 . . . . 0.0 109.954 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.577 ' O ' ' CD1' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -116.97 148.71 41.18 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.189 -0.944 . . . . 0.0 109.942 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.602 ' CE2' ' HG2' ' A' ' 7' ' ' ARG . 43.1 m-85 -143.28 53.81 1.35 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.16 -0.962 . . . . 0.0 110.926 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.578 ' CZ ' ' OD1' ' A' ' 11' ' ' ASN . 24.1 t80 58.97 175.43 0.07 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.234 -0.916 . . . . 0.0 111.003 179.141 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.753 ' HB3' ' HN2' ' A' ' 17' ' ' ABA . 20.1 p-10 -90.89 -33.55 15.59 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.586 -0.697 . . . . 0.0 112.062 -178.095 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.542 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . . . -29.2 -51.02 0.1 Allowed 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.753 -0.592 . . . . 0.0 111.955 -178.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.432 ' HE2' ' NE2' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -44.06 -85.2 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.029 -1.044 . . . . 0.0 110.17 -179.831 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.617 ' O ' HD23 ' A' ' 16' ' ' LEU . 1.8 m-20 -85.28 7.12 23.37 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.381 -0.825 . . . . 0.0 109.509 179.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.599 ' N ' ' O ' ' A' ' 11' ' ' ASN . . . 88.46 -18.85 39.52 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.899 -1.28 . . . . 0.0 109.899 -179.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.912 HD12 ' CD1' ' B' ' 9' ' ' PHE . 0.2 OUTLIER -121.83 127.13 50.2 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.071 -1.252 . . . . 0.0 110.261 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ABA . . . . . 0.753 ' HN2' ' HB3' ' A' ' 11' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.512 ' O ' ' HA ' ' A' ' 8' ' ' TYR . 1.9 mt-30 -78.39 137.56 38.07 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.234 -0.916 . . . . 0.0 110.032 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.481 ' OG1' ' HB2' ' A' ' 8' ' ' TYR . 17.4 m -152.7 91.17 1.53 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.3 -0.875 . . . . 0.0 110.359 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.575 ' CD1' ' HD3' ' B' ' 7' ' ' ARG . 5.4 t80 -89.67 126.39 35.62 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.278 -0.889 . . . . 0.0 110.086 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.893 HG22 ' HA ' ' A' ' 6' ' ' ILE . 75.6 t -139.15 159.22 29.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.216 -0.927 . . . . 0.0 110.512 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.609 ' CG ' ' O ' ' A' ' 22' ' ' TYR . 3.3 p90 -155.44 110.34 2.97 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.247 -0.908 . . . . 0.0 109.956 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.479 ' O ' ' HB2' ' B' ' 4' ' ' ARG . . . -110.55 116.89 4.48 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.667 -1.373 . . . . 0.0 109.667 -179.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.467 ' O ' ' HG2' ' B' ' 4' ' ' ARG . . . 143.83 57.92 0.02 OUTLIER Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.785 -1.326 . . . . 0.0 109.785 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 17.5 t -92.0 107.43 19.2 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.254 -1.145 . . . . 0.0 110.209 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.331 0 O-C-N 119.861 -1.774 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MPT . . . . . 0.453 ' HA2' ' CB ' ' B' ' 25' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.45 ' O ' ' O ' ' B' ' 3' ' ' ALA . 3.8 tppt? -125.4 -121.44 0.26 Allowed 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.208 -0.932 . . . . 0.0 109.504 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.45 ' O ' ' O ' ' B' ' 2' ' ' LYS . . . -44.53 170.28 0.01 OUTLIER 'General case' 0 C--N 1.285 -2.227 0 O-C-N 121.6 -0.687 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.482 ' CD ' ' N ' ' B' ' 4' ' ' ARG . 0.0 OUTLIER -155.15 39.81 0.41 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.326 -0.859 . . . . 0.0 110.058 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.464 HG23 ' O ' ' B' ' 5' ' ' ILE . 3.6 tt -112.77 116.69 53.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.315 -0.866 . . . . 0.0 110.057 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.455 ' O ' ' O ' ' A' ' 21' ' ' VAL . 84.4 mt -116.75 125.4 73.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.157 -0.965 . . . . 0.0 110.476 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . 0.575 ' HD3' ' CD1' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -88.04 105.14 17.28 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.25 -0.906 . . . . 0.0 110.071 179.758 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . 0.459 ' O ' ' O ' ' A' ' 19' ' ' THR . 1.7 m-85 -80.31 120.23 24.09 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.204 -0.935 . . . . 0.0 110.345 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . 0.912 ' CD1' HD12 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -118.95 37.21 4.18 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.262 -0.899 . . . . 0.0 109.973 179.888 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . 0.695 ' OH ' ' HG1' ' A' ' 17' ' ' ABA . 0.9 OUTLIER -51.54 122.29 7.79 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.406 -0.809 . . . . 0.0 110.368 -179.685 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . 0.498 ' OD1' ' N ' ' B' ' 12' ' ' ALA . 28.2 t30 -100.83 171.76 7.47 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.273 -0.892 . . . . 0.0 110.233 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . 0.498 ' N ' ' OD1' ' B' ' 11' ' ' ASN . . . -84.16 -155.65 0.2 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.255 -0.903 . . . . 0.0 110.2 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.19 -89.98 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.223 -0.923 . . . . 0.0 110.223 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' B' ' 12' ' ' ALA . 24.8 m-20 -147.18 13.07 1.09 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.16 -0.962 . . . . 0.0 110.289 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -102.31 31.94 8.12 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.444 -1.462 . . . . 0.0 109.444 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' CLH . . . . . 0.457 ' HG3' ' HB2' ' B' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ABA . . . . . 0.408 ' HB2' ' O ' ' B' ' 16' ' ' CLH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.536 ' CB ' ' HB3' ' B' ' 9' ' ' PHE . 4.8 mt-30 -114.1 59.63 0.67 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.119 -0.988 . . . . 0.0 109.975 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.497 ' HA ' ' O ' ' B' ' 7' ' ' ARG . 8.4 t -89.77 161.78 15.86 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.238 -0.914 . . . . 0.0 110.291 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.473 ' CD1' ' N ' ' B' ' 20' ' ' PHE . 14.3 m-85 -102.89 178.42 4.57 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.262 -0.899 . . . . 0.0 110.281 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.675 HG23 ' O ' ' B' ' 21' ' ' VAL . 35.6 m -132.57 84.01 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.22 -0.925 . . . . 0.0 110.243 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . 0.454 ' HB2' ' O ' ' B' ' 5' ' ' ILE . 56.2 m-85 -84.54 -32.45 23.85 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.294 -0.879 . . . . 0.0 110.131 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -101.35 -147.46 20.35 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.39 101.63 0.18 Allowed Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' CYS . . . . . 0.453 ' CB ' ' HA2' ' B' ' 1' ' ' MPT . 40.4 t -176.06 -35.51 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.184 -1.186 . . . . 0.0 110.294 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.303 0 O-C-N 119.829 -1.795 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.456 ' HE3' ' HD3' ' B' ' 2' ' ' LYS . 0.0 OUTLIER -119.33 56.21 0.93 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.264 -0.898 . . . . 0.0 110.326 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -110.41 -120.09 0.28 Allowed 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.241 -0.912 . . . . 0.0 109.583 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' CLG . . . . . 0.466 ' HG2' ' O ' ' A' ' 4' ' ' CLG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.669 HG23 ' N ' ' A' ' 6' ' ' ILE . 0.4 OUTLIER -52.35 -174.49 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.169 -0.957 . . . . 0.0 109.531 179.879 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.838 ' HA ' HG22 ' A' ' 21' ' ' VAL . 15.1 mt -155.5 116.07 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.106 -0.996 . . . . 0.0 110.659 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.2 128.39 55.05 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.408 -0.808 . . . . 0.0 109.597 179.439 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.813 ' HB3' HG23 ' A' ' 19' ' ' THR . 8.6 p90 -152.2 177.35 10.62 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.097 -1.002 . . . . 0.0 111.021 -179.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.977 ' O ' ' HG3' ' A' ' 17' ' ' ABA . 1.1 m-85 -134.16 -160.28 1.04 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.577 -0.702 . . . . 0.0 109.195 179.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -150.96 123.24 8.33 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.175 -0.953 . . . . 0.0 110.271 179.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.485 ' HB2' ' O ' ' A' ' 16' ' ' LEU . 1.7 m-20 -125.13 77.93 1.67 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.275 -0.891 . . . . 0.0 109.951 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.566 ' O ' ' N ' ' A' ' 14' ' ' ASP . . . -60.53 -135.84 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.299 -0.875 . . . . 0.0 109.913 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 22.4 mttp 66.32 -60.14 0.32 Allowed 'General case' 0 N--CA 1.495 1.806 0 CA-C-O 122.013 0.911 . . . . 0.0 109.062 -179.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.566 ' N ' ' O ' ' A' ' 12' ' ' ALA . 30.0 m-20 -113.47 3.13 15.65 Favored 'General case' 0 C--N 1.293 -1.848 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 178.332 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.42 72.12 0.86 Allowed Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.774 -1.331 . . . . 0.0 109.774 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.53 HD12 ' OD1' ' B' ' 11' ' ' ASN . 5.2 tt -150.2 120.59 7.37 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.183 -1.187 . . . . 0.0 110.19 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ABA . . . . . 0.977 ' HG3' ' O ' ' A' ' 9' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.453 ' O ' ' HB2' ' A' ' 8' ' ' TYR . 0.2 OUTLIER -91.86 149.95 21.31 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.141 -0.974 . . . . 0.0 110.208 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.813 HG23 ' HB3' ' A' ' 8' ' ' TYR . 50.6 m -148.89 83.41 1.45 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.241 -0.912 . . . . 0.0 110.012 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -89.35 134.52 34.04 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.275 -0.891 . . . . 0.0 110.08 -179.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.838 HG22 ' HA ' ' A' ' 6' ' ' ILE . 99.5 t -130.76 172.02 16.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.417 -0.802 . . . . 0.0 110.024 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.574 ' N ' HG12 ' A' ' 21' ' ' VAL . 10.3 t80 -166.58 135.56 2.95 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.329 -0.857 . . . . 0.0 110.059 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -77.93 147.16 31.71 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.615 -1.394 . . . . 0.0 109.615 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.61 130.76 5.44 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.1 m -121.26 160.32 24.14 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.182 -1.187 . . . . 0.0 110.356 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 120.018 -1.676 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.456 ' HD3' ' HE3' ' A' ' 2' ' ' LYS . 27.9 mttm -100.45 41.23 1.19 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.239 -0.913 . . . . 0.0 110.254 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -110.3 75.75 0.95 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.399 -0.813 . . . . 0.0 109.968 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 -119.19 125.07 48.33 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.243 -0.91 . . . . 0.0 110.365 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.926 ' O ' HG11 ' B' ' 21' ' ' VAL . 3.1 mt -113.38 170.54 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.32 -0.863 . . . . 0.0 109.948 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.545 ' N ' HG22 ' B' ' 5' ' ' ILE . 7.0 mm -139.29 127.74 27.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.223 -0.923 . . . . 0.0 110.31 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . 0.517 ' O ' ' NE2' ' B' ' 18' ' ' GLN . 0.0 OUTLIER -113.55 91.21 3.56 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.281 -0.887 . . . . 0.0 109.847 179.626 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . 0.634 ' CE1' ' CG2' ' B' ' 19' ' ' THR . 0.5 OUTLIER -98.69 139.13 34.86 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.382 -0.824 . . . . 0.0 110.288 -179.695 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . 0.492 ' HB3' ' OE1' ' B' ' 18' ' ' GLN . 46.2 t80 -150.49 98.06 2.6 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.158 -0.964 . . . . 0.0 110.164 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . 0.477 ' HB3' ' O ' ' A' ' 17' ' ' ABA . 16.9 t80 -66.35 135.25 54.09 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.22 -0.925 . . . . 0.0 110.31 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . 0.53 ' OD1' HD12 ' A' ' 16' ' ' LEU . 33.0 t30 179.51 -162.72 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.507 -0.746 . . . . 0.0 109.497 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -91.14 -12.56 35.13 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.147 -0.971 . . . . 0.0 109.957 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.488 ' O ' ' CB ' ' B' ' 14' ' ' ASP . 23.9 tttt -63.58 140.93 58.92 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.426 -0.796 . . . . 0.0 110.479 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' B' ' 13' ' ' LYS . 0.2 OUTLIER 70.11 1.89 3.71 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.282 -0.886 . . . . 0.0 110.559 179.819 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.34 -50.34 3.74 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' CLH . . . . . 0.674 ' O ' ' HG2' ' B' ' 17' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ABA . . . . . 0.674 ' HG2' ' O ' ' B' ' 16' ' ' CLH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.517 ' NE2' ' O ' ' B' ' 7' ' ' ARG . 0.3 OUTLIER -148.12 147.58 29.65 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.386 -0.821 . . . . 0.0 109.782 -179.904 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.634 ' CG2' ' CE1' ' B' ' 8' ' ' TYR . 20.5 m -160.6 97.43 1.2 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.961 -1.087 . . . . 0.0 110.858 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.582 ' CD1' ' O ' ' B' ' 20' ' ' PHE . 28.3 p90 -150.19 134.12 16.9 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.298 -0.876 . . . . 0.0 109.882 179.274 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.926 HG11 ' O ' ' B' ' 5' ' ' ILE . 11.0 p -150.13 173.19 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.264 -0.898 . . . . 0.0 110.491 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . 0.592 ' N ' HG22 ' B' ' 21' ' ' VAL . 10.0 t80 -78.63 97.05 5.67 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.324 -0.86 . . . . 0.0 109.911 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.85 154.64 53.07 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -106.19 -78.63 1.18 Allowed Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 27.8 p -148.19 62.24 1.11 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.317 -1.107 . . . . 0.0 110.176 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 119.817 -1.802 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MPT . . . . . 0.482 ' O ' ' HB2' ' B' ' 4' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.543 ' N ' ' HA3' ' A' ' 23' ' ' GLY . 6.0 mmtm -115.06 -116.52 0.33 Allowed 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.271 -0.893 . . . . 0.0 110.529 -179.701 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.581 ' O ' ' N ' ' A' ' 5' ' ' ILE . . . -111.85 80.03 1.28 Allowed 'General case' 0 C--N 1.287 -2.139 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' CLG . . . . . 0.556 ' HB3' ' HA2' ' A' ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.581 ' N ' ' O ' ' A' ' 3' ' ' ALA . 21.6 mm 59.91 155.27 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 120.76 -1.213 . . . . 0.0 110.341 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.919 HD11 ' CE1' ' A' ' 8' ' ' TYR . 1.5 tt -98.5 131.88 44.74 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.203 -0.936 . . . . 0.0 110.136 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.443 ' O ' ' HA ' ' A' ' 19' ' ' THR . 0.6 OUTLIER -110.86 102.81 11.29 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.173 -0.954 . . . . 0.0 110.151 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.919 ' CE1' HD11 ' A' ' 6' ' ' ILE . 4.8 m-85 -114.16 132.93 55.91 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.296 -0.878 . . . . 0.0 110.189 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.467 ' O ' ' HA ' ' A' ' 17' ' ' ABA . 48.0 m-85 -146.99 68.74 1.16 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.234 -0.916 . . . . 0.0 110.207 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -62.56 82.86 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.244 -0.91 . . . . 0.0 110.216 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.473 ' O ' ' N ' ' A' ' 15' ' ' GLY . 1.0 OUTLIER -85.91 81.71 8.43 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.241 -0.912 . . . . 0.0 110.172 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.99 -38.28 72.83 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.285 -0.884 . . . . 0.0 110.221 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.414 ' HG2' ' N ' ' A' ' 14' ' ' ASP . 33.6 ttmt -49.17 -81.09 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.166 -0.959 . . . . 0.0 109.415 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.414 ' N ' ' HG2' ' A' ' 13' ' ' LYS . 30.6 t0 -73.59 -2.88 24.74 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.225 -0.922 . . . . 0.0 109.445 178.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 11' ' ' ASN . . . 61.55 73.45 0.5 Allowed Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.852 HD11 ' OD1' ' B' ' 11' ' ' ASN . 0.2 OUTLIER -147.96 69.09 1.11 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.266 -1.138 . . . . 0.0 110.207 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ABA . . . . . 0.467 ' HA ' ' O ' ' A' ' 9' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.589 ' CG ' HD23 ' A' ' 16' ' ' LEU . 4.3 mt-30 -63.12 139.11 58.74 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.233 -0.917 . . . . 0.0 110.259 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.754 HG21 ' CE2' ' B' ' 8' ' ' TYR . 2.6 m -140.29 81.06 1.79 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.268 -0.895 . . . . 0.0 110.284 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.598 ' CE1' ' HB3' ' B' ' 9' ' ' PHE . 60.6 m-85 -102.76 120.05 39.91 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.285 -0.884 . . . . 0.0 110.11 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.535 HG22 ' HA ' ' A' ' 6' ' ' ILE . 5.5 t -146.52 100.07 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.132 -0.98 . . . . 0.0 109.971 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.638 ' CD1' ' HA ' ' B' ' 5' ' ' ILE . 15.6 p90 -179.17 137.36 0.14 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.274 -0.891 . . . . 0.0 110.108 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.556 ' HA2' ' HB3' ' A' ' 4' ' ' CLG . . . -43.25 128.72 5.67 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.759 -1.336 . . . . 0.0 109.759 -179.353 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.475 ' HA3' ' CD ' ' A' ' 4' ' ' CLG . . . -108.11 43.58 1.67 Allowed Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.6 p -127.66 25.38 6.04 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.237 -1.155 . . . . 0.0 110.216 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.331 0 O-C-N 119.823 -1.798 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MPT . . . . . 0.422 ' C ' ' HG2' ' B' ' 2' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.422 ' HG2' ' C ' ' B' ' 1' ' ' MPT . 13.5 mmtt -126.79 -121.76 0.25 Allowed 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.222 -0.924 . . . . 0.0 109.498 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.481 ' O ' ' HA2' ' B' ' 23' ' ' GLY . . . -81.34 -157.71 0.19 Allowed 'General case' 0 C--N 1.285 -2.213 0 CA-C-O 121.339 0.59 . . . . 0.0 110.229 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.482 ' HB2' ' O ' ' A' ' 1' ' ' MPT . 30.0 mmt-85 -128.14 57.98 1.54 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.358 -0.839 . . . . 0.0 110.345 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.762 ' O ' HD12 ' B' ' 5' ' ' ILE . 0.9 OUTLIER -126.26 46.76 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.331 -0.856 . . . . 0.0 110.105 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.535 ' CG2' ' O ' ' A' ' 21' ' ' VAL . 6.5 tp -89.53 131.24 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.052 -1.03 . . . . 0.0 111.136 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . 0.606 ' O ' ' CD1' ' B' ' 20' ' ' PHE . 8.8 ptt-85 -160.94 120.36 2.63 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.515 -0.741 . . . . 0.0 110.105 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . 0.821 ' HB3' HG23 ' B' ' 19' ' ' THR . 1.2 p90 -132.18 148.67 52.48 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.952 -1.093 . . . . 0.0 110.374 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . 0.598 ' HB3' ' CE1' ' A' ' 20' ' ' PHE . 13.5 p90 -150.17 129.27 12.69 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.292 -0.88 . . . . 0.0 110.449 -179.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . 0.428 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 5.4 t80 -89.42 158.32 17.79 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.381 -0.825 . . . . 0.0 110.177 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . 0.852 ' OD1' HD11 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -148.52 179.7 7.61 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.281 -0.887 . . . . 0.0 110.126 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' B' ' 14' ' ' ASP . . . -42.75 130.58 4.15 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.283 -0.886 . . . . 0.0 110.256 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.472 ' O ' ' HB2' ' B' ' 14' ' ' ASP . 0.1 OUTLIER -64.9 65.33 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.35 -0.844 . . . . 0.0 110.258 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.521 ' N ' ' O ' ' B' ' 12' ' ' ALA . 2.6 t70 172.96 -28.76 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.388 -0.82 . . . . 0.0 109.822 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -94.28 -57.76 1.26 Allowed Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' CLH . . . . . 0.679 ' C ' ' HG2' ' B' ' 17' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ABA . . . . . 0.679 ' HG2' ' C ' ' B' ' 16' ' ' CLH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.42 168.14 1.84 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.132 -0.98 . . . . 0.0 110.839 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.821 HG23 ' HB3' ' B' ' 8' ' ' TYR . 1.8 m -130.14 143.55 50.85 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.503 -0.748 . . . . 0.0 109.735 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.606 ' CD1' ' O ' ' B' ' 7' ' ' ARG . 5.5 m-85 -89.66 156.72 18.38 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.175 -0.953 . . . . 0.0 109.858 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.62 HG23 ' O ' ' B' ' 21' ' ' VAL . 30.3 m -136.55 103.82 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.197 -0.939 . . . . 0.0 110.274 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . 0.569 ' CG ' ' O ' ' B' ' 21' ' ' VAL . 2.7 m-85 -172.53 -33.57 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.209 -0.932 . . . . 0.0 110.285 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.483 ' CA ' ' HB ' ' B' ' 6' ' ' ILE . . . -100.41 -12.87 37.29 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . 0.495 ' N ' ' HB ' ' B' ' 6' ' ' ILE . . . -91.99 -103.04 1.41 Allowed Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.616 -1.394 . . . . 0.0 109.616 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -178.88 -147.22 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.204 -1.174 . . . . 0.0 110.211 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.358 0 O-C-N 119.834 -1.791 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MPT . . . . . 0.465 ' HA1' ' HB2' ' A' ' 25' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.931 ' HG3' HD12 ' A' ' 5' ' ' ILE . 0.4 OUTLIER 55.68 69.79 0.7 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.162 -0.961 . . . . 0.0 110.259 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.524 ' O ' ' CB ' ' A' ' 4' ' ' CLG . . . -105.77 25.53 10.72 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.111 -0.993 . . . . 0.0 110.218 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' CLG . . . . . 0.565 ' NJ ' ' NH2' ' A' ' 7' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.931 HD12 ' HG3' ' A' ' 2' ' ' LYS . 5.8 mt -69.04 174.17 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.441 -0.787 . . . . 0.0 110.234 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.815 ' H ' HG23 ' A' ' 21' ' ' VAL . 2.6 tt 39.66 45.41 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.533 -0.729 . . . . 0.0 110.684 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.565 ' NH2' ' NJ ' ' A' ' 4' ' ' CLG . 1.2 mtp180 -74.26 77.2 1.82 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.325 -0.859 . . . . 0.0 109.947 179.447 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.557 ' O ' ' CD1' ' A' ' 9' ' ' PHE . 32.4 p90 -107.46 166.87 10.34 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.231 -0.918 . . . . 0.0 110.367 -179.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.763 ' O ' ' HG2' ' A' ' 17' ' ' ABA . 43.8 m-85 -149.95 -166.7 2.62 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.324 -0.86 . . . . 0.0 110.051 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.41 ' HD1' ' HG3' ' A' ' 17' ' ' ABA . 73.7 t80 -131.81 127.3 36.35 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.27 -0.894 . . . . 0.0 110.231 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 15' ' ' GLY . 1.2 m120 -123.23 91.77 3.55 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.255 -0.903 . . . . 0.0 110.187 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.15 -35.5 75.46 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.266 -0.896 . . . . 0.0 110.215 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.8 -69.49 0.11 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.274 -0.891 . . . . 0.0 109.337 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -79.34 -4.44 50.9 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.462 -0.774 . . . . 0.0 109.334 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 11' ' ' ASN . . . 56.67 59.51 10.66 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.667 -1.373 . . . . 0.0 109.667 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 1.103 HD22 ' N ' ' A' ' 17' ' ' ABA . 0.1 OUTLIER -150.2 129.92 13.21 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.28 -1.129 . . . . 0.0 110.273 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ABA . . . . . 1.103 ' N ' HD22 ' A' ' 16' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.603 ' HG3' ' CZ ' ' B' ' 9' ' ' PHE . 0.0 OUTLIER -40.29 139.47 0.74 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.323 -0.86 . . . . 0.0 110.993 -179.436 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.476 ' HB ' ' HB2' ' B' ' 8' ' ' TYR . 25.0 m -123.68 64.97 1.03 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.513 -0.742 . . . . 0.0 109.688 179.441 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.644 ' CE1' ' CB ' ' A' ' 22' ' ' TYR . 0.9 OUTLIER -89.7 116.67 27.99 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.403 -0.81 . . . . 0.0 110.243 -179.527 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.815 HG23 ' H ' ' A' ' 6' ' ' ILE . 7.3 p -102.08 99.92 9.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.094 -1.004 . . . . 0.0 109.809 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.644 ' CB ' ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -147.76 112.23 5.29 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.301 -0.874 . . . . 0.0 109.801 -179.389 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.855 ' H ' HD12 ' B' ' 5' ' ' ILE . . . -110.26 -82.54 1.33 Allowed Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.484 ' O ' ' HB2' ' A' ' 3' ' ' ALA . . . 112.62 152.89 11.57 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.745 -1.342 . . . . 0.0 109.745 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.465 ' HB2' ' HA1' ' A' ' 1' ' ' MPT . 18.6 t -113.28 141.41 47.04 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.303 -1.116 . . . . 0.0 110.149 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.34 0 O-C-N 119.849 -1.782 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MPT . . . . . 0.454 ' O ' ' HB2' ' B' ' 2' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' B' ' 1' ' ' MPT . 5.7 mmtp 57.06 77.97 0.24 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.468 -0.77 . . . . 0.0 110.581 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.462 ' O ' ' HA2' ' A' ' 24' ' ' GLY . . . -46.11 127.3 8.45 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.191 -0.943 . . . . 0.0 110.025 179.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.632 ' O ' ' CB ' ' B' ' 5' ' ' ILE . 4.6 mpt_? -71.54 -81.77 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.25 -0.906 . . . . 0.0 110.763 -179.554 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.855 HD12 ' H ' ' A' ' 23' ' ' GLY . 54.0 mt 109.54 167.41 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.514 2.764 0 C-N-CA 124.256 1.023 . . . . 0.0 109.578 -179.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.648 HG21 ' CE1' ' B' ' 8' ' ' TYR . 4.6 mt -58.94 160.72 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 CA-C-O 122.113 0.959 . . . . 0.0 112.32 -178.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . 0.597 ' HD3' ' CZ ' ' A' ' 20' ' ' PHE . 24.5 ttp85 -139.53 113.11 8.45 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.531 -0.73 . . . . 0.0 109.715 179.13 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . 0.648 ' CE1' HG21 ' B' ' 6' ' ' ILE . 36.9 m-85 -98.72 146.4 25.93 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.443 -0.786 . . . . 0.0 109.96 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . 0.636 ' CZ ' ' CH ' ' B' ' 16' ' ' CLH . 0.4 OUTLIER -140.52 53.79 1.61 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.188 -0.945 . . . . 0.0 110.502 -179.784 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . 0.585 ' O ' ' HB2' ' B' ' 11' ' ' ASN . 31.9 t80 -53.75 -171.98 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.176 -0.953 . . . . 0.0 108.718 179.084 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . 0.591 ' HA ' HD23 ' A' ' 16' ' ' LEU . 19.0 t-20 172.64 146.23 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.429 -0.795 . . . . 0.0 109.642 179.283 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' B' ' 13' ' ' LYS . . . -91.3 -89.61 0.17 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.096 -1.003 . . . . 0.0 110.707 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' B' ' 12' ' ' ALA . 51.3 tttt -34.47 -79.41 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.653 -0.654 . . . . 0.0 111.974 -179.203 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.522 ' OD2' ' ND2' ' B' ' 11' ' ' ASN . 6.4 p-10 -72.33 -32.28 66.39 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.887 -1.133 . . . . 0.0 110.973 -179.034 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.492 ' HA2' ' O ' ' B' ' 11' ' ' ASN . . . 71.03 38.46 63.89 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.647 -1.381 . . . . 0.0 109.647 -179.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' CLH . . . . . 0.636 ' CH ' ' CZ ' ' B' ' 9' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ABA . . . . . 0.427 ' HA ' ' O ' ' B' ' 9' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.447 ' HB2' ' HB3' ' B' ' 9' ' ' PHE . 0.0 OUTLIER 174.89 135.8 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.337 -0.852 . . . . 0.0 110.28 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.51 ' HA ' ' O ' ' B' ' 7' ' ' ARG . 29.6 m -136.05 136.71 40.45 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.25 -0.906 . . . . 0.0 110.037 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.558 ' CE1' ' NH2' ' B' ' 7' ' ' ARG . 7.8 m-85 -113.71 -165.38 1.0 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.111 -0.993 . . . . 0.0 110.432 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.522 HG12 ' H ' ' B' ' 22' ' ' TYR . 11.2 t -121.17 176.53 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.31 -0.869 . . . . 0.0 109.87 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . 0.597 ' CZ ' HG12 ' B' ' 5' ' ' ILE . 0.2 OUTLIER -68.08 178.55 1.8 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.029 -1.044 . . . . 0.0 109.911 179.901 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.606 ' HA2' ' HB2' ' B' ' 4' ' ' ARG . . . -61.2 -118.98 0.01 OUTLIER Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -172.49 -39.51 0.04 OUTLIER Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 14.1 t -64.96 110.53 2.49 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.346 -1.09 . . . . 0.0 110.158 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 119.87 -1.769 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -138.29 46.27 2.04 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.244 -0.91 . . . . 0.0 110.298 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -110.12 60.6 0.6 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.263 -0.898 . . . . 0.0 110.167 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' CLG . . . . . 0.443 ' O ' HG12 ' A' ' 6' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.418 ' HA ' HD13 ' A' ' 5' ' ' ILE . 31.8 mm -65.26 102.25 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.176 -0.953 . . . . 0.0 109.949 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.527 ' HA ' HG22 ' A' ' 21' ' ' VAL . 41.4 mm -87.63 96.69 5.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.31 -0.869 . . . . 0.0 110.462 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -110.58 124.79 52.53 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.266 -0.896 . . . . 0.0 109.924 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.498 ' O ' ' CD1' ' A' ' 9' ' ' PHE . 29.2 p90 -136.92 173.21 11.94 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.112 -0.993 . . . . 0.0 110.575 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.498 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 19.1 m-85 -137.75 95.46 3.05 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.422 -0.799 . . . . 0.0 109.917 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.509 ' HA ' ' CG ' ' A' ' 17' ' ' ABA . 0.5 OUTLIER -41.81 116.66 0.82 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.303 -0.873 . . . . 0.0 110.49 -179.803 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.47 ' O ' ' O ' ' A' ' 12' ' ' ALA . 0.7 OUTLIER -114.21 83.61 1.9 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.313 -0.867 . . . . 0.0 109.992 179.777 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.525 ' O ' ' N ' ' A' ' 14' ' ' ASP . . . -60.31 -136.56 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.279 -0.888 . . . . 0.0 110.168 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.471 ' CB ' ' O ' ' A' ' 12' ' ' ALA . 12.6 tttt 67.87 -59.74 0.42 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.252 -0.905 . . . . 0.0 108.858 -179.362 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.525 ' N ' ' O ' ' A' ' 12' ' ' ALA . 24.0 p30 -121.74 9.11 10.06 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 108.369 -0.975 . . . . 0.0 108.369 178.325 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.71 52.5 52.63 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.656 HD21 ' HZ ' ' B' ' 9' ' ' PHE . 2.0 tp -121.73 92.33 3.71 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.192 -1.181 . . . . 0.0 110.031 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ABA . . . . . 0.509 ' CG ' ' HA ' ' A' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.479 ' HG2' ' CE1' ' B' ' 9' ' ' PHE . 3.2 mt-30 -110.96 128.56 55.87 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.295 -0.878 . . . . 0.0 110.001 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.469 ' HB ' ' O ' ' B' ' 8' ' ' TYR . 69.1 m -127.5 101.9 6.63 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.144 -0.973 . . . . 0.0 110.488 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -94.71 130.37 41.24 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.282 -0.886 . . . . 0.0 109.949 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.565 HG21 ' CD2' ' B' ' 8' ' ' TYR . 25.4 t -119.99 167.84 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.208 -0.933 . . . . 0.0 110.446 -179.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.593 ' CE1' HG12 ' B' ' 5' ' ' ILE . 81.8 t80 -151.76 78.31 1.25 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.351 -0.843 . . . . 0.0 109.922 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.464 ' O ' ' O ' ' B' ' 4' ' ' ARG . . . -110.22 -118.83 3.99 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.861 -1.296 . . . . 0.0 109.861 -179.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.525 ' HA3' ' HB2' ' B' ' 4' ' ' ARG . . . 156.58 39.13 0.02 OUTLIER Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.436 -1.466 . . . . 0.0 109.436 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.9 t -157.8 51.27 0.44 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.286 -1.126 . . . . 0.0 110.278 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 119.85 -1.781 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.35 65.57 1.36 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.253 -0.905 . . . . 0.0 110.168 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.457 ' O ' ' HB3' ' B' ' 4' ' ' ARG . . . -93.68 78.45 4.27 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.292 -0.88 . . . . 0.0 110.19 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.525 ' HB2' ' HA3' ' A' ' 24' ' ' GLY . 0.1 OUTLIER -177.72 33.14 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.338 -0.851 . . . . 0.0 110.194 -179.854 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.593 HG12 ' CE1' ' A' ' 22' ' ' TYR . 19.8 mt -109.05 120.34 60.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.245 -0.909 . . . . 0.0 110.505 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.67 HD12 ' OH ' ' B' ' 8' ' ' TYR . 10.8 pt -118.54 160.89 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.307 -0.87 . . . . 0.0 109.611 179.459 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . 0.559 ' HD2' ' CE1' ' B' ' 20' ' ' PHE . 0.1 OUTLIER -145.95 145.57 30.71 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.075 -1.015 . . . . 0.0 110.742 -179.581 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . 0.847 ' CD1' HG23 ' B' ' 19' ' ' THR . 18.6 m-85 -123.28 61.46 1.04 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.472 -0.768 . . . . 0.0 109.603 179.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . 0.656 ' HZ ' HD21 ' A' ' 16' ' ' LEU . 3.1 t80 -89.65 101.26 13.95 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.353 -0.842 . . . . 0.0 110.557 -179.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . 0.64 ' HA ' ' CB ' ' B' ' 17' ' ' ABA . 3.6 p90 -114.99 -156.9 0.62 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.329 -0.857 . . . . 0.0 109.561 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . 0.562 ' N ' ' HB2' ' B' ' 17' ' ' ABA . 12.5 p30 -122.85 -168.19 1.71 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.053 -1.029 . . . . 0.0 110.059 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . 0.533 ' O ' ' C ' ' B' ' 13' ' ' LYS . . . -90.58 -57.2 2.91 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.226 -0.922 . . . . 0.0 110.598 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.533 ' C ' ' O ' ' B' ' 12' ' ' ALA . 0.5 OUTLIER -20.22 -68.19 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.144 0 CA-C-O 121.108 0.48 . . . . 0.0 112.136 -179.383 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -120.23 -6.55 9.89 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.009 -1.057 . . . . 0.0 110.442 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.48 ' HA2' ' O ' ' B' ' 11' ' ' ASN . . . 83.34 38.95 10.28 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.693 -1.363 . . . . 0.0 109.693 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' CLH . . . . . 0.556 ' CA ' ' HB2' ' B' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ABA . . . . . 0.64 ' CB ' ' HA ' ' B' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.519 ' N ' ' O ' ' B' ' 9' ' ' PHE . 0.9 OUTLIER -160.7 68.93 0.36 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.002 -1.062 . . . . 0.0 110.478 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.847 HG23 ' CD1' ' B' ' 8' ' ' TYR . 82.3 m -114.52 100.81 8.57 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.182 -0.949 . . . . 0.0 110.338 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.596 ' CD1' ' N ' ' B' ' 20' ' ' PHE . 11.4 p90 -150.26 -163.64 1.83 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.315 -0.866 . . . . 0.0 110.278 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.525 HG23 HG22 ' B' ' 6' ' ' ILE . 7.5 p -103.5 152.66 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.262 -0.899 . . . . 0.0 110.099 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . 0.445 ' HB3' ' O ' ' B' ' 5' ' ' ILE . 22.2 t80 -141.58 75.2 1.49 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.142 -0.974 . . . . 0.0 110.206 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.73 -56.33 23.48 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 109.717 -1.353 . . . . 0.0 109.717 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.98 -43.68 1.6 Allowed Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.476 -1.45 . . . . 0.0 109.476 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 73.8 m -95.53 -157.74 0.6 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.289 -1.124 . . . . 0.0 110.183 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.34 0 O-C-N 119.819 -1.801 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MPT . . . . . 0.534 ' O ' ' CG ' ' A' ' 2' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.534 ' CG ' ' O ' ' A' ' 1' ' ' MPT . 18.8 pttp 37.37 46.52 0.63 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.665 -0.647 . . . . 0.0 110.77 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -105.33 52.46 0.74 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.214 -0.929 . . . . 0.0 110.236 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' CLG . . . . . 0.716 HNM1 ' HD3' ' A' ' 7' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.585 HG23 ' O ' ' A' ' 5' ' ' ILE . 2.5 tt -179.56 70.61 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.315 -0.865 . . . . 0.0 110.117 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.623 ' H ' HD12 ' A' ' 6' ' ' ILE . 1.5 mp -93.38 46.32 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.158 -0.964 . . . . 0.0 110.159 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.716 ' HD3' HNM1 ' A' ' 4' ' ' CLG . 52.1 mtm180 -43.27 104.54 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.229 -0.92 . . . . 0.0 109.901 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.599 ' CE2' HG23 ' A' ' 19' ' ' THR . 0.2 OUTLIER -120.03 65.34 0.82 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.153 -0.967 . . . . 0.0 110.584 -179.772 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.497 ' O ' ' HA ' ' A' ' 17' ' ' ABA . 12.5 m-85 -89.77 108.42 19.68 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.182 -0.949 . . . . 0.0 109.415 179.46 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.558 ' HD2' ' HB2' ' A' ' 12' ' ' ALA . 20.9 t80 -42.98 168.2 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.269 -0.894 . . . . 0.0 110.628 -179.147 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.576 ' O ' ' N ' ' A' ' 15' ' ' GLY . 25.5 p30 -97.99 14.05 28.71 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.301 -0.874 . . . . 0.0 111.526 -179.333 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.718 ' O ' ' N ' ' A' ' 14' ' ' ASP . . . -49.43 146.26 4.1 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 120.855 -1.153 . . . . 0.0 110.718 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 47.98 -64.72 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.128 0 CA-C-O 121.921 0.867 . . . . 0.0 111.756 178.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.718 ' N ' ' O ' ' A' ' 12' ' ' ALA . 10.1 m-20 -66.92 -8.28 28.22 Favored 'General case' 0 C--N 1.285 -2.207 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.52 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.576 ' N ' ' O ' ' A' ' 11' ' ' ASN . . . 52.25 32.24 36.15 Favored Glycine 0 N--CA 1.495 2.613 0 C-N-CA 119.155 -1.497 . . . . 0.0 109.499 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.951 HD23 ' O ' ' A' ' 16' ' ' LEU . 1.4 tt -123.17 101.86 7.63 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.081 -1.246 . . . . 0.0 111.084 -179.151 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ABA . . . . . 0.56 ' N ' ' HB3' ' A' ' 11' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.509 ' O ' ' HA ' ' A' ' 8' ' ' TYR . 30.3 mt-30 -50.03 121.28 5.22 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.42 -0.8 . . . . 0.0 110.571 -179.277 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.599 HG23 ' CE2' ' A' ' 8' ' ' TYR . 15.9 m -132.57 86.17 2.3 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.567 -0.708 . . . . 0.0 109.328 179.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.623 ' CD2' ' NE ' ' B' ' 7' ' ' ARG . 9.0 m-85 -89.4 156.16 18.86 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.316 -0.865 . . . . 0.0 110.292 -179.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.542 ' HB ' ' CG1' ' B' ' 6' ' ' ILE . 17.5 t -149.98 26.09 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.342 -0.849 . . . . 0.0 109.972 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.477 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 1.7 t80 -70.46 99.7 1.65 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.345 -0.847 . . . . 0.0 110.149 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -110.26 -119.63 4.07 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 52.1 -147.36 12.78 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.435 -1.466 . . . . 0.0 109.435 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 37.8 t -176.46 -74.12 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.198 -1.178 . . . . 0.0 110.321 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.33 0 O-C-N 119.908 -1.745 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MPT . . . . . 0.451 ' O ' ' SG ' ' B' ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm 45.99 79.43 0.05 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.219 -0.926 . . . . 0.0 110.192 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.561 ' HB1' ' HA3' ' B' ' 23' ' ' GLY . . . -109.89 151.0 27.61 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.277 -0.89 . . . . 0.0 110.285 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -176.69 57.91 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.106 -0.996 . . . . 0.0 110.766 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.732 ' C ' HD13 ' B' ' 5' ' ' ILE . 0.0 OUTLIER -171.34 131.3 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.152 -0.967 . . . . 0.0 110.089 179.561 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.775 HD12 ' HE1' ' B' ' 8' ' ' TYR . 40.5 pt -156.18 -175.08 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.372 -0.83 . . . . 0.0 109.931 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . 0.635 ' O ' HG23 ' B' ' 19' ' ' THR . 22.8 ttm180 -166.37 161.61 16.6 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.17 -0.956 . . . . 0.0 110.242 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . 0.775 ' HE1' HD12 ' B' ' 6' ' ' ILE . 65.2 m-85 -151.53 38.69 0.63 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.23 -0.918 . . . . 0.0 110.017 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . 0.584 ' CG ' ' O ' ' B' ' 9' ' ' PHE . 1.1 p90 -94.57 119.64 33.56 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.238 -0.914 . . . . 0.0 109.966 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -116.25 16.66 15.82 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.125 -0.984 . . . . 0.0 110.366 -179.632 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . 0.889 ' CB ' HD12 ' A' ' 16' ' ' LEU . 3.5 t-20 -50.69 103.97 0.07 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.172 -0.955 . . . . 0.0 110.144 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' B' ' 11' ' ' ASN . . . -41.73 -66.36 0.35 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.236 -0.915 . . . . 0.0 110.499 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.482 ' HB2' ' OD1' ' B' ' 11' ' ' ASN . 20.8 tptt 50.72 -140.4 0.84 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.222 -0.924 . . . . 0.0 110.109 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.43 ' N ' ' OD1' ' B' ' 14' ' ' ASP . 45.6 p-10 -93.79 0.66 56.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.152 -0.968 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.773 ' O ' ' HG2' ' B' ' 17' ' ' ABA . . . 158.13 -55.37 0.37 Allowed Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.643 -1.383 . . . . 0.0 109.643 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' CLH . . . . . 0.512 ' C ' ' O ' ' B' ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ABA . . . . . 0.773 ' HG2' ' O ' ' B' ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.483 ' CB ' ' O ' ' B' ' 17' ' ' ABA . 0.2 OUTLIER 170.37 -169.3 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.197 -0.939 . . . . 0.0 110.321 179.89 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.635 HG23 ' O ' ' B' ' 7' ' ' ARG . 21.5 m -128.82 151.88 49.1 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.447 -0.783 . . . . 0.0 109.902 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.579 ' CD1' ' HB3' ' B' ' 7' ' ' ARG . 7.0 m-85 -112.1 126.53 55.28 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.112 -0.993 . . . . 0.0 110.415 -179.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.441 ' O ' HG12 ' B' ' 21' ' ' VAL . 76.6 t -129.91 81.85 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.279 -0.888 . . . . 0.0 109.878 179.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . 0.541 ' O ' HG23 ' B' ' 5' ' ' ILE . 0.1 OUTLIER 177.8 119.71 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.287 -0.883 . . . . 0.0 109.805 -179.61 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.584 ' HA2' HG22 ' B' ' 5' ' ' ILE . . . -66.42 -110.93 0.01 OUTLIER Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.407 -1.477 . . . . 0.0 109.407 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -158.0 81.62 0.16 Allowed Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -88.41 29.49 0.97 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.224 -1.163 . . . . 0.0 110.201 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 119.917 -1.739 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MPT . . . . . 0.519 ' C ' ' SG ' ' A' ' 25' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 1' ' ' MPT . 0.5 OUTLIER 55.57 91.08 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.163 -0.96 . . . . 0.0 109.01 -179.308 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.57 ' O ' ' O ' ' A' ' 4' ' ' CLG . . . -81.51 36.97 0.44 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.309 -0.869 . . . . 0.0 111.566 -178.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' CLG . . . . . 0.724 ' CB ' ' HA2' ' A' ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.537 HG23 ' C ' ' A' ' 4' ' ' CLG . 12.0 pt -146.77 -160.11 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 120.714 -1.241 . . . . 0.0 110.546 -179.59 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.908 HD12 HG22 ' A' ' 21' ' ' VAL . 0.4 OUTLIER -57.63 88.96 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.382 -0.824 . . . . 0.0 110.553 -179.715 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.62 ' HB2' ' CZ ' ' A' ' 20' ' ' PHE . 0.4 OUTLIER -49.07 151.74 1.25 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.289 -0.882 . . . . 0.0 109.689 179.534 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.542 ' CD1' ' OG1' ' A' ' 19' ' ' THR . 0.1 OUTLIER -155.58 99.55 2.03 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.439 -0.788 . . . . 0.0 110.574 -179.838 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.573 ' CE1' ' HG2' ' A' ' 7' ' ' ARG . 11.3 m-85 -123.52 91.51 3.49 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.209 -0.932 . . . . 0.0 109.844 179.524 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.768 ' HB2' ' HG3' ' A' ' 17' ' ' ABA . 0.0 OUTLIER -99.19 151.97 20.41 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.37 -0.831 . . . . 0.0 110.174 -179.57 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.507 ' O ' ' N ' ' A' ' 15' ' ' GLY . 18.4 m120 -129.6 106.89 9.04 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.338 -0.851 . . . . 0.0 109.834 179.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.529 ' HB2' ' OH ' ' A' ' 10' ' ' TYR . . . -49.5 -40.0 35.95 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.219 -0.926 . . . . 0.0 110.512 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.17 -78.9 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.204 -0.935 . . . . 0.0 109.552 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.505 ' OD1' ' N ' ' A' ' 16' ' ' LEU . 3.3 p30 -71.76 -4.43 27.63 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.304 -0.872 . . . . 0.0 109.442 179.116 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 11' ' ' ASN . . . 61.64 37.69 94.63 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.539 ' HG ' ' H ' ' A' ' 17' ' ' ABA . 1.6 tt -89.86 159.82 16.78 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.231 -1.158 . . . . 0.0 110.078 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ABA . . . . . 0.768 ' HG3' ' HB2' ' A' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.535 ' HG3' ' NH1' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -58.79 148.9 28.09 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.193 -0.942 . . . . 0.0 109.775 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.59 HG23 ' O ' ' A' ' 7' ' ' ARG . 2.0 m -172.24 138.93 1.0 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.25 -0.906 . . . . 0.0 110.156 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.62 ' CZ ' ' HB2' ' A' ' 7' ' ' ARG . 3.9 p90 -149.99 142.76 24.68 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.046 -1.034 . . . . 0.0 110.492 179.362 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.908 HG22 HD12 ' A' ' 6' ' ' ILE . 12.4 t -95.09 74.63 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.306 -0.871 . . . . 0.0 110.754 -179.337 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.613 ' HB3' ' CE1' ' A' ' 20' ' ' PHE . 13.9 t80 -126.78 88.57 2.84 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.289 -0.882 . . . . 0.0 109.23 179.178 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.724 ' HA2' ' CB ' ' A' ' 4' ' ' CLG . . . -90.62 -172.8 44.23 Favored Glycine 0 N--CA 1.49 2.241 0 C-N-CA 119.215 -1.469 . . . . 0.0 110.25 -178.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.528 ' N ' ' HB3' ' A' ' 4' ' ' CLG . . . 132.59 84.39 0.25 Allowed Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.519 ' SG ' ' C ' ' A' ' 1' ' ' MPT . 0.0 OUTLIER -52.91 104.2 0.09 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.957 -1.32 . . . . 0.0 109.982 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 119.941 -1.725 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' MPT . . . . . 0.404 ' HB1' ' HB3' ' B' ' 25' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' B' ' 4' ' ' ARG . 0.0 OUTLIER 64.44 81.62 0.2 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.238 -0.914 . . . . 0.0 109.985 -179.887 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.5 83.92 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.351 -0.843 . . . . 0.0 110.284 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.546 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER 175.91 72.75 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.328 -0.858 . . . . 0.0 110.195 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.634 HG23 ' HB2' ' B' ' 22' ' ' TYR . 2.4 tt -149.96 67.84 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.672 -0.642 . . . . 0.0 110.256 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.699 HD12 ' CB ' ' A' ' 21' ' ' VAL . 13.6 mt -98.73 166.81 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.011 -1.056 . . . . 0.0 110.387 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . 0.502 ' O ' ' HA ' ' B' ' 19' ' ' THR . 1.8 mtp85 -126.31 102.45 7.18 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.247 -0.908 . . . . 0.0 110.156 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . 0.525 ' N ' ' O ' ' A' ' 19' ' ' THR . 4.1 m-30 -111.38 81.01 1.37 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.333 -0.854 . . . . 0.0 110.452 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -104.53 113.99 27.92 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.046 -1.034 . . . . 0.0 110.338 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . 0.44 ' O ' ' HB3' ' B' ' 11' ' ' ASN . 14.9 t80 -118.72 158.9 24.65 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.337 -0.852 . . . . 0.0 110.086 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . 0.492 ' OD1' ' N ' ' B' ' 16' ' ' CLH . 1.5 p30 -176.86 141.24 0.35 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.178 -0.951 . . . . 0.0 110.224 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.98 -156.38 0.39 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.242 -0.911 . . . . 0.0 110.232 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 63.3 mttt 46.14 24.69 0.28 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.31 -0.869 . . . . 0.0 110.229 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 48.48 55.67 8.62 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.211 -0.93 . . . . 0.0 110.179 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.478 ' CA ' ' OD1' ' B' ' 11' ' ' ASN . . . -82.61 -99.81 0.48 Allowed Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' CLH . . . . . 0.492 ' N ' ' OD1' ' B' ' 11' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' ABA . . . . . 0.421 ' O ' ' HG3' ' B' ' 18' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' B' ' 17' ' ' ABA . 1.1 mt-30 -175.44 109.19 0.1 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.162 -0.961 . . . . 0.0 110.263 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.502 ' HA ' ' O ' ' B' ' 7' ' ' ARG . 63.5 m -132.67 115.6 15.59 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.362 -0.837 . . . . 0.0 110.122 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.465 ' C ' HG13 ' B' ' 21' ' ' VAL . 13.2 m-85 -118.61 178.96 4.27 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.219 -0.926 . . . . 0.0 110.226 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.732 HG23 ' O ' ' B' ' 21' ' ' VAL . 33.2 m -149.05 100.12 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.294 -0.879 . . . . 0.0 110.317 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . 0.634 ' HB2' HG23 ' B' ' 5' ' ' ILE . 62.9 m-85 -105.2 -16.42 14.78 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.212 -0.93 . . . . 0.0 110.15 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' B' ' 22' ' ' TYR . . . -44.39 103.23 0.05 OUTLIER Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 143.73 54.67 0.03 OUTLIER Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.869 -1.292 . . . . 0.0 109.869 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' CYS . . . . . 0.404 ' HB3' ' HB1' ' B' ' 1' ' ' MPT . 0.1 OUTLIER -89.89 -16.73 29.41 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.134 -1.215 . . . . 0.0 109.759 179.642 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.356 0 O-C-N 120.036 -1.665 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.512 ' CG ' ' O ' ' A' ' 2' ' ' LYS . 0.1 OUTLIER -173.26 67.43 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.199 -0.938 . . . . 0.0 110.165 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -109.32 52.62 0.71 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.305 -0.872 . . . . 0.0 110.23 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' CLG . . . . . 0.606 ' C ' HG23 ' A' ' 5' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.836 ' H ' HD13 ' A' ' 5' ' ' ILE . 0.2 OUTLIER -151.95 166.03 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.245 -0.91 . . . . 0.0 110.35 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.608 ' N ' HD12 ' A' ' 6' ' ' ILE . 4.6 mp -123.83 74.1 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.3 -0.875 . . . . 0.0 110.14 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.73 102.06 13.82 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.261 -0.899 . . . . 0.0 110.351 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.565 ' O ' ' CD1' ' A' ' 9' ' ' PHE . 13.6 p90 -150.43 159.32 44.55 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.326 -0.859 . . . . 0.0 109.995 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.565 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 24.0 m-85 -146.15 93.28 2.3 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.147 -0.97 . . . . 0.0 110.535 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.818 ' HA ' ' HG3' ' A' ' 17' ' ' ABA . 22.7 t80 -44.35 136.41 4.09 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.176 -0.952 . . . . 0.0 109.537 179.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.478 ' O ' ' O ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -142.88 75.96 1.51 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.968 -1.083 . . . . 0.0 111.404 -179.388 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.833 ' O ' ' N ' ' A' ' 14' ' ' ASP . . . -62.46 -156.48 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 178.302 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp 48.58 -65.56 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.064 0 CA-C-O 121.919 0.866 . . . . 0.0 109.867 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.833 ' N ' ' O ' ' A' ' 12' ' ' ALA . 1.1 m-20 -55.03 -21.79 13.38 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 177.295 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.509 ' O ' ' HA ' ' B' ' 11' ' ' ASN . . . 96.53 -4.35 64.02 Favored Glycine 0 N--CA 1.489 2.2 0 C-N-CA 119.919 -1.134 . . . . 0.0 112.173 177.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.852 HD13 ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -144.5 160.36 41.23 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-N 119.848 1.824 . . . . 0.0 112.745 179.641 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ABA . . . . . 0.818 ' HG3' ' HA ' ' A' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.581 ' OE1' ' CD2' ' B' ' 9' ' ' PHE . 0.0 OUTLIER -46.83 126.18 8.34 Favored 'General case' 0 N--CA 1.499 1.987 0 C-N-CA 119.192 -1.003 . . . . 0.0 109.046 -178.659 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.472 ' HB ' ' HB2' ' B' ' 8' ' ' TYR . 54.6 m -144.52 115.84 8.02 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.088 -1.007 . . . . 0.0 111.094 -179.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.596 ' CD1' ' HG3' ' B' ' 7' ' ' ARG . 1.2 t80 -122.61 125.16 45.08 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 179.085 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.544 ' O ' HG22 ' A' ' 21' ' ' VAL . 0.6 OUTLIER -149.89 100.99 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 120.719 -1.238 . . . . 0.0 111.452 -178.715 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.873 ' CE2' HD12 ' B' ' 6' ' ' ILE . 0.1 OUTLIER 164.75 107.58 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.702 -0.623 . . . . 0.0 109.993 178.877 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.34 114.22 4.76 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.655 -1.378 . . . . 0.0 109.655 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.03 28.11 15.31 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 57.39 101.41 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.284 -1.127 . . . . 0.0 110.327 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 119.764 -1.835 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' MPT . . . . . 0.498 ' O ' ' N ' ' B' ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -119.98 54.34 1.03 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.275 -0.891 . . . . 0.0 110.229 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.474 ' O ' ' HG2' ' B' ' 4' ' ' ARG . . . -73.23 142.66 47.28 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.244 -0.91 . . . . 0.0 110.217 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.565 ' HD3' ' CZ ' ' A' ' 22' ' ' TYR . 2.6 mtt180 -147.29 110.71 4.89 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.143 -0.973 . . . . 0.0 110.677 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.788 HD12 ' H ' ' B' ' 5' ' ' ILE . 0.5 OUTLIER -149.59 36.83 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.361 -0.837 . . . . 0.0 110.113 179.616 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.873 HD12 ' CE2' ' A' ' 22' ' ' TYR . 91.9 mt -70.02 141.72 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 CA-C-O 121.808 0.813 . . . . 0.0 110.861 -179.511 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . 0.614 ' HB3' ' CZ ' ' B' ' 20' ' ' PHE . 0.0 OUTLIER -137.56 143.74 41.71 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.402 -0.811 . . . . 0.0 110.033 179.838 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . 1.067 ' HB3' ' HG3' ' B' ' 17' ' ' ABA . 7.0 m-85 -118.71 114.86 23.36 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.672 -0.642 . . . . 0.0 109.579 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . 0.635 ' O ' ' CD1' ' B' ' 9' ' ' PHE . 21.5 t80 -152.59 97.29 2.23 Favored 'General case' 0 N--CA 1.506 2.366 0 O-C-N 120.555 -1.34 . . . . 0.0 112.869 -179.377 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . 0.784 ' HB2' ' HA ' ' B' ' 17' ' ' ABA . 0.7 OUTLIER -134.02 170.64 15.34 Favored 'General case' 0 N--CA 1.509 2.522 0 O-C-N 120.101 -1.624 . . . . 0.0 109.48 177.532 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . 0.509 ' HA ' ' O ' ' A' ' 15' ' ' GLY . 4.7 p-10 -118.7 17.74 13.5 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.273 -0.892 . . . . 0.0 110.202 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' B' ' 14' ' ' ASP . . . -90.49 151.31 21.43 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.237 -0.914 . . . . 0.0 110.349 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? -51.62 92.25 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.246 -0.909 . . . . 0.0 110.1 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' B' ' 12' ' ' ALA . 0.6 OUTLIER 53.86 37.2 25.97 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.246 -0.909 . . . . 0.0 110.139 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -87.84 38.77 3.14 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' CLH . . . . . 0.53 ' O ' ' C ' ' B' ' 17' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' ABA . . . . . 1.067 ' HG3' ' HB3' ' B' ' 8' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.554 ' CB ' ' O ' ' B' ' 9' ' ' PHE . 6.3 tt0 -16.28 86.7 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.333 0 CA-C-O 121.215 0.531 . . . . 0.0 112.245 -178.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.917 HG23 ' CE1' ' B' ' 8' ' ' TYR . 55.0 m -99.61 105.9 17.81 Favored 'General case' 0 C--N 1.303 -1.419 0 C-N-CA 119.73 -0.788 . . . . 0.0 111.036 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.614 ' CZ ' ' HB3' ' B' ' 7' ' ' ARG . 8.7 p90 -122.88 143.66 49.73 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 119.596 -0.842 . . . . 0.0 109.847 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.597 HG12 HG12 ' B' ' 6' ' ' ILE . 4.7 m -126.8 154.27 36.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.205 -0.934 . . . . 0.0 110.523 -179.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . 0.551 ' HB3' HD11 ' B' ' 5' ' ' ILE . 2.3 t80 -132.25 -35.36 1.19 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.448 -0.782 . . . . 0.0 109.737 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.62 172.29 42.83 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.382 -1.487 . . . . 0.0 109.382 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.63 -39.97 0.57 Allowed Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.564 -1.415 . . . . 0.0 109.564 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 26.3 p -46.9 -22.27 0.3 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.296 -1.12 . . . . 0.0 110.147 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' NH2 . . . . . 0.498 ' N ' ' O ' ' B' ' 1' ' ' MPT . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 119.879 -1.763 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -161.64 79.75 0.57 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.162 -0.961 . . . . 0.0 110.587 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -105.85 56.98 0.67 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.187 -0.946 . . . . 0.0 109.973 179.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' CLG . . . . . 0.483 ' HE3' HG21 ' A' ' 21' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.505 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 3.7 mt -129.53 85.14 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.373 -0.829 . . . . 0.0 109.594 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.74 HG23 HG12 ' A' ' 21' ' ' VAL . 1.7 mt -63.12 111.74 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.326 -0.859 . . . . 0.0 110.966 -179.171 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.58 ' HB3' ' CE2' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -107.39 107.66 18.66 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.512 -0.742 . . . . 0.0 109.101 179.089 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.682 ' CG ' HG23 ' A' ' 19' ' ' THR . 0.2 OUTLIER -86.29 153.49 21.94 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.285 -0.884 . . . . 0.0 111.145 -178.938 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.58 ' CE2' ' HB3' ' A' ' 7' ' ' ARG . 64.0 m-85 -149.93 76.27 1.28 Allowed 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.501 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.673 ' HA ' ' HG3' ' A' ' 17' ' ' ABA . 10.3 t80 -40.55 165.62 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.51 -0.744 . . . . 0.0 111.14 -178.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.614 ' O ' ' CA ' ' A' ' 15' ' ' GLY . 31.3 p-10 -89.16 -18.48 27.06 Favored 'General case' 0 C--O 1.199 -1.57 0 O-C-N 121.513 -0.742 . . . . 0.0 111.327 -179.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.643 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . . . -45.37 -68.25 0.21 Allowed 'General case' 0 C--N 1.29 -2.006 0 O-C-N 120.173 -1.579 . . . . 0.0 111.041 -179.36 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -51.66 -85.68 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.428 -0.795 . . . . 0.0 111.708 -178.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.89 -3.37 3.35 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.47 -0.769 . . . . 0.0 111.13 -178.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.614 ' CA ' ' O ' ' A' ' 11' ' ' ASN . . . 74.48 15.31 80.46 Favored Glycine 0 N--CA 1.497 2.716 0 C-N-CA 118.307 -1.901 . . . . 0.0 109.428 -179.505 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 1.093 HD11 ' CZ ' ' B' ' 9' ' ' PHE . 5.9 tt -150.49 114.46 5.05 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.149 -1.206 . . . . 0.0 110.812 -179.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ABA . . . . . 0.673 ' HG3' ' HA ' ' A' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 179.41 127.05 0.07 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.054 -1.029 . . . . 0.0 110.503 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.682 HG23 ' CG ' ' A' ' 8' ' ' TYR . 0.2 OUTLIER -116.79 83.57 1.99 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.228 -0.92 . . . . 0.0 110.264 179.794 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.607 ' CZ ' ' HB2' ' A' ' 22' ' ' TYR . 8.3 t80 -89.38 107.21 18.94 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.231 -0.918 . . . . 0.0 109.749 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.74 HG12 HG23 ' A' ' 6' ' ' ILE . 2.1 m -94.64 -45.02 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 121.188 -0.945 . . . . 0.0 110.802 -179.348 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.74 ' CD1' HG23 ' B' ' 5' ' ' ILE . 9.4 t80 64.07 154.87 0.06 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.35 -0.844 . . . . 0.0 110.544 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.61 -110.11 0.63 Allowed Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.44 -1.464 . . . . 0.0 109.44 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.14 -70.75 0.25 Allowed Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.79 -1.324 . . . . 0.0 109.79 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 28.7 p -75.75 -9.33 58.5 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.218 -1.166 . . . . 0.0 110.361 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 119.806 -1.809 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -150.71 81.66 1.34 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.232 -0.917 . . . . 0.0 110.105 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -48.59 170.23 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.235 -0.916 . . . . 0.0 110.185 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.448 ' NH1' ' CG2' ' B' ' 21' ' ' VAL . 0.4 OUTLIER -150.02 -158.95 0.97 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.273 -0.892 . . . . 0.0 110.196 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.74 HG23 ' CD1' ' A' ' 22' ' ' TYR . 33.6 mt -130.48 73.43 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.211 -0.93 . . . . 0.0 110.062 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.708 HG23 ' CE1' ' B' ' 8' ' ' TYR . 96.8 mt -63.03 113.32 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.402 -0.811 . . . . 0.0 110.198 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . 0.443 ' HG3' HG22 ' B' ' 5' ' ' ILE . 17.9 mtm180 -119.85 89.73 3.19 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.252 -0.905 . . . . 0.0 110.211 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . 0.708 ' CE1' HG23 ' B' ' 6' ' ' ILE . 21.9 m-30 -75.69 150.23 37.94 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.242 -0.911 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . 1.093 ' CZ ' HD11 ' A' ' 16' ' ' LEU . 65.9 t80 -150.14 46.79 0.91 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.449 -0.782 . . . . 0.0 109.585 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . 0.589 ' CD1' ' HA ' ' B' ' 16' ' ' CLH . 0.7 OUTLIER -39.11 -33.86 0.15 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.705 -0.622 . . . . 0.0 110.607 -179.818 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . 0.432 ' HA ' ' HG ' ' A' ' 16' ' ' LEU . 17.1 t30 54.34 173.72 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.941 -1.1 . . . . 0.0 109.896 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . 0.415 ' O ' ' O ' ' B' ' 13' ' ' LYS . . . -90.43 -138.46 0.14 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.228 -0.92 . . . . 0.0 110.708 -179.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' B' ' 12' ' ' ALA . 0.1 OUTLIER 42.89 -162.98 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.2 -0.937 . . . . 0.0 109.999 -179.801 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.3 41.42 0.88 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.224 -0.922 . . . . 0.0 110.07 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.478 ' O ' ' O ' ' B' ' 10' ' ' TYR . . . -105.0 59.97 0.42 Allowed Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' CLH . . . . . 0.589 ' HA ' ' CD1' ' B' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' ABA . . . . . 0.527 ' CB ' ' O ' ' B' ' 16' ' ' CLH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.498 ' HB3' ' HB3' ' B' ' 9' ' ' PHE . 0.0 OUTLIER 167.95 59.45 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.275 -0.89 . . . . 0.0 110.051 179.825 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.0 m -98.28 156.33 16.77 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.156 -0.965 . . . . 0.0 110.402 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -118.78 64.96 0.77 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.312 -0.867 . . . . 0.0 110.014 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.448 ' CG2' ' NH1' ' B' ' 4' ' ' ARG . 7.4 p -92.23 145.99 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.2 -0.938 . . . . 0.0 110.375 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . 0.525 ' CG ' ' N ' ' B' ' 23' ' ' GLY . 26.4 p90 -146.85 -39.14 0.21 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.22 -0.925 . . . . 0.0 110.2 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.525 ' N ' ' CG ' ' B' ' 22' ' ' TYR . . . -61.49 -117.31 0.01 OUTLIER Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -172.08 -91.74 0.08 OUTLIER Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 52.6 t -52.35 135.65 32.59 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.275 -1.133 . . . . 0.0 110.16 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.323 0 O-C-N 119.888 -1.758 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MPT . . . . . 0.408 ' O ' ' SG ' ' A' ' 25' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.451 ' CG ' ' HB2' ' A' ' 25' ' ' CYS . 32.7 mtpt -122.48 65.89 0.94 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.291 -0.881 . . . . 0.0 110.293 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.615 ' O ' ' C ' ' A' ' 4' ' ' CLG . . . -89.17 39.96 0.96 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.151 -0.968 . . . . 0.0 110.116 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' CLG . . . . . 0.615 ' C ' ' O ' ' A' ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.737 HG23 ' O ' ' A' ' 5' ' ' ILE . 6.6 tp -53.55 96.32 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.203 -0.935 . . . . 0.0 110.028 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 40.0 mt -67.14 112.06 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.241 -0.912 . . . . 0.0 110.274 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.497 ' CG ' HG13 ' A' ' 5' ' ' ILE . 76.0 mtm-85 -127.48 119.02 25.15 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.201 -0.937 . . . . 0.0 110.156 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.436 ' CB ' ' HA ' ' A' ' 19' ' ' THR . 35.5 p90 -121.93 162.95 20.12 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.27 -0.894 . . . . 0.0 110.213 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -127.44 -163.26 1.24 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.334 -0.854 . . . . 0.0 109.967 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -128.49 136.64 51.09 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.228 -0.92 . . . . 0.0 110.396 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.528 ' ND2' ' N ' ' A' ' 11' ' ' ASN . 0.0 OUTLIER -142.82 112.04 6.62 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.45 -0.781 . . . . 0.0 109.429 179.691 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.491 ' O ' ' C ' ' A' ' 13' ' ' LYS . . . -90.05 -6.96 54.95 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.466 -0.772 . . . . 0.0 110.948 -179.275 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.491 ' C ' ' O ' ' A' ' 12' ' ' ALA . 10.1 mttt -38.45 -52.39 1.57 Allowed 'General case' 0 N--CA 1.498 1.962 0 CA-C-O 121.812 0.815 . . . . 0.0 108.947 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.797 ' HB2' HD12 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -130.46 9.88 5.17 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 107.667 -1.235 . . . . 0.0 107.667 177.306 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.706 ' C ' HD13 ' A' ' 16' ' ' LEU . . . 66.06 76.82 0.31 Allowed Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.658 -1.377 . . . . 0.0 109.658 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.891 HD13 ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -150.63 69.71 0.99 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.993 -1.298 . . . . 0.0 111.462 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ABA . . . . . 0.57 ' C ' ' O ' ' A' ' 16' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.415 ' O ' ' HB2' ' A' ' 8' ' ' TYR . 7.9 tt0 -101.82 142.68 32.77 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.105 -0.997 . . . . 0.0 111.21 -178.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.51 ' O ' ' CB ' ' B' ' 8' ' ' TYR . 4.3 m -122.2 91.7 3.56 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.569 -0.707 . . . . 0.0 109.27 179.35 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.606 ' CD1' ' CD ' ' B' ' 7' ' ' ARG . 5.4 t80 -89.63 130.44 35.93 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.269 -0.894 . . . . 0.0 110.766 -179.148 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.551 HG12 ' OH ' ' B' ' 22' ' ' TYR . 4.1 t -106.74 161.34 5.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.399 -0.813 . . . . 0.0 109.482 179.499 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.856 ' HA ' HD12 ' B' ' 5' ' ' ILE . 79.6 t80 -151.29 83.89 1.31 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.852 -1.155 . . . . 0.0 111.404 -179.259 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.672 ' H ' HD13 ' B' ' 5' ' ' ILE . . . -74.85 -175.37 35.23 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 108.767 -1.733 . . . . 0.0 108.767 179.22 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.494 ' O ' ' CB ' ' A' ' 25' ' ' CYS . . . 137.33 155.47 6.95 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.655 -1.378 . . . . 0.0 109.655 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.1 OUTLIER 169.09 96.31 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.346 -1.09 . . . . 0.0 109.94 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 119.879 -1.763 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' MPT . . . . . 0.413 ' O ' ' C ' ' B' ' 2' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.576 ' O ' ' CD2' ' B' ' 22' ' ' TYR . 1.0 OUTLIER 42.8 43.8 3.57 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.31 -0.869 . . . . 0.0 110.462 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.584 ' O ' ' CD1' ' B' ' 22' ' ' TYR . . . -110.85 -151.08 0.47 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.326 -0.859 . . . . 0.0 110.117 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.68 ' O ' HD13 ' B' ' 5' ' ' ILE . 6.7 mpt_? 60.2 -115.81 0.71 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.562 -0.711 . . . . 0.0 111.281 179.488 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.856 HD12 ' HA ' ' A' ' 22' ' ' TYR . 27.1 mm -150.06 126.39 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 120.546 -1.346 . . . . 0.0 111.382 -179.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.522 ' HB ' ' CA ' ' B' ' 22' ' ' TYR . 10.1 tt -125.02 130.55 73.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.672 -0.642 . . . . 0.0 110.413 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . 0.606 ' CD ' ' CD1' ' A' ' 20' ' ' PHE . 1.0 OUTLIER -102.36 126.23 49.31 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.459 -0.776 . . . . 0.0 110.11 179.894 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . 0.527 ' CZ ' HG21 ' B' ' 19' ' ' THR . 0.3 OUTLIER -108.32 139.71 42.63 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.223 -0.923 . . . . 0.0 110.159 179.881 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . 0.443 ' O ' ' CD2' ' B' ' 9' ' ' PHE . 38.6 t80 -149.79 59.32 0.99 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.197 -0.939 . . . . 0.0 110.477 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . 0.665 ' HA ' ' CB ' ' B' ' 17' ' ' ABA . 1.1 p90 -60.65 -179.07 0.11 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.151 -0.968 . . . . 0.0 109.607 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . 0.626 ' N ' ' CD1' ' B' ' 10' ' ' TYR . 18.6 p-10 -165.37 -41.1 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.064 -1.023 . . . . 0.0 110.619 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . 0.51 ' N ' ' OD1' ' B' ' 11' ' ' ASN . . . -76.38 153.68 35.55 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.119 -0.988 . . . . 0.0 110.367 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.76 -27.98 0.95 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.292 -0.88 . . . . 0.0 110.078 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -48.57 -49.3 37.18 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.206 -0.934 . . . . 0.0 110.101 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.17 25.46 6.1 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' CLH . . . . . 0.545 ' N ' ' HB2' ' B' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' ABA . . . . . 0.665 ' CB ' ' HA ' ' B' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.458 ' H ' ' HG2' ' B' ' 17' ' ' ABA . 0.0 OUTLIER -43.95 98.05 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.018 -1.051 . . . . 0.0 110.013 179.918 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.527 HG21 ' CZ ' ' B' ' 8' ' ' TYR . 0.1 OUTLIER -117.6 137.92 52.29 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.186 -0.946 . . . . 0.0 110.416 -179.787 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.454 ' CD1' ' N ' ' B' ' 20' ' ' PHE . 12.1 m-85 -101.14 -160.45 0.8 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.36 -0.838 . . . . 0.0 109.913 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.465 ' O ' ' O ' ' B' ' 5' ' ' ILE . 7.8 p -119.8 160.67 19.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.18 -0.95 . . . . 0.0 110.602 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . 0.584 ' CD1' ' O ' ' B' ' 3' ' ' ALA . 0.0 OUTLIER -83.97 -76.59 0.29 Allowed 'General case' 0 C--N 1.306 -1.3 0 O-C-N 121.369 -0.832 . . . . 0.0 108.942 179.415 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.664 ' CA ' ' HB2' ' B' ' 4' ' ' ARG . . . -111.83 -117.57 3.63 Favored Glycine 0 N--CA 1.495 2.63 0 N-CA-C 109.766 -1.333 . . . . 0.0 109.766 179.379 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.1 36.78 0.02 OUTLIER Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 8.6 p -58.85 128.56 37.84 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.281 -1.129 . . . . 0.0 110.205 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.363 0 O-C-N 119.797 -1.814 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MPT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.3 mtmp? -123.42 -121.06 0.28 Allowed 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.334 -0.854 . . . . 0.0 109.531 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.476 ' O ' ' CB ' ' A' ' 4' ' ' CLG . . . -102.01 58.43 0.83 Allowed 'General case' 0 C--N 1.286 -2.159 0 O-C-N 121.651 -0.655 . . . . 0.0 110.193 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' CLG . . . . . 0.485 ' HB3' ' HA2' ' A' ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.513 HD11 ' CZ ' ' A' ' 22' ' ' TYR . 4.2 pt -68.3 174.32 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.176 -0.953 . . . . 0.0 109.977 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.565 HG23 HG11 ' A' ' 21' ' ' VAL . 2.5 mp -146.63 96.79 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.132 -0.98 . . . . 0.0 110.419 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.6 mmt-85 -94.41 120.35 34.53 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.216 -0.927 . . . . 0.0 109.854 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.511 ' CB ' ' HA ' ' A' ' 19' ' ' THR . 26.4 p90 -156.58 176.92 12.08 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.204 -0.935 . . . . 0.0 110.606 -179.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -134.98 176.17 8.91 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.459 -0.776 . . . . 0.0 109.687 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -127.78 138.35 52.71 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.13 -0.981 . . . . 0.0 110.478 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -142.85 63.02 1.39 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.348 -0.845 . . . . 0.0 110.14 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.12 -25.44 5.17 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.27 -0.894 . . . . 0.0 110.256 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -53.75 -74.68 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.262 -0.899 . . . . 0.0 109.387 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.43 -5.24 31.32 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.257 -0.902 . . . . 0.0 109.34 179.013 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.584 ' O ' HD12 ' A' ' 16' ' ' LEU . . . 74.07 46.41 22.2 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.584 HD12 ' O ' ' A' ' 15' ' ' GLY . 0.9 OUTLIER -133.21 165.67 24.25 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.263 -1.14 . . . . 0.0 110.301 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ABA . . . . . 0.675 ' HG2' ' O ' ' A' ' 17' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 17' ' ' ABA . 0.6 OUTLIER -42.49 127.53 3.79 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.286 -0.884 . . . . 0.0 110.395 -179.822 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.511 ' HA ' ' CB ' ' A' ' 8' ' ' TYR . 5.2 m -137.88 95.27 3.01 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.296 -0.878 . . . . 0.0 110.113 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -103.14 107.78 18.72 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.182 -0.949 . . . . 0.0 109.949 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.565 HG11 HG23 ' A' ' 6' ' ' ILE . 3.8 m -121.33 151.31 24.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.246 -0.909 . . . . 0.0 110.354 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.567 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 27.8 p90 -140.41 125.71 18.77 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.306 -0.871 . . . . 0.0 110.092 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.485 ' HA2' ' HB3' ' A' ' 4' ' ' CLG . . . -58.01 153.91 24.95 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.635 -1.386 . . . . 0.0 109.635 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.479 ' HA3' ' HE3' ' B' ' 2' ' ' LYS . . . -171.51 32.55 0.14 Allowed Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.411 -1.476 . . . . 0.0 109.411 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 45.6 t -151.06 -56.74 0.16 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.305 -1.115 . . . . 0.0 110.206 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.408 0 O-C-N 119.888 -1.758 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' MPT . . . . . 0.408 ' HB2' ' HB3' ' B' ' 25' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.479 ' HE3' ' HA3' ' A' ' 24' ' ' GLY . 17.1 tptm 51.37 70.81 0.5 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.276 -0.89 . . . . 0.0 110.241 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.795 ' HB2' ' SG ' ' B' ' 25' ' ' CYS . . . -108.56 47.65 0.9 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.264 -0.897 . . . . 0.0 110.252 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.627 ' NH2' HD11 ' B' ' 6' ' ' ILE . 1.2 mtp180 -135.64 97.37 3.65 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.219 -0.926 . . . . 0.0 110.143 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.425 ' O ' ' HA ' ' B' ' 21' ' ' VAL . 29.6 mt -131.62 134.18 60.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.264 -0.898 . . . . 0.0 110.254 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.627 HD11 ' NH2' ' B' ' 4' ' ' ARG . 72.4 mt -129.12 151.13 35.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.286 -0.884 . . . . 0.0 110.194 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . 0.513 ' HB3' ' CD2' ' B' ' 20' ' ' PHE . 2.9 ttt180 -127.46 98.52 5.27 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.282 -0.886 . . . . 0.0 110.308 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . 0.509 ' HB2' HG22 ' A' ' 19' ' ' THR . 12.7 m-85 -94.11 113.29 25.22 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.248 -0.908 . . . . 0.0 110.009 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . 0.624 ' CG ' ' O ' ' B' ' 9' ' ' PHE . 4.5 t80 -125.95 35.13 4.74 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.058 -1.026 . . . . 0.0 110.495 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . 0.59 ' CZ ' ' HB3' ' A' ' 17' ' ' ABA . 1.3 p90 -43.14 122.43 2.49 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.946 -1.096 . . . . 0.0 110.237 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . 0.466 ' O ' ' HB2' ' B' ' 16' ' ' CLH . 13.9 p30 -122.13 166.34 14.7 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.181 -0.949 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.02 -118.19 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.026 -1.046 . . . . 0.0 110.137 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.443 ' O ' ' HG2' ' B' ' 13' ' ' LYS . 1.9 tttm 47.59 51.42 13.88 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.937 -1.102 . . . . 0.0 110.592 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' B' ' 13' ' ' LYS . 3.4 m-20 41.36 60.53 2.06 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.286 -0.884 . . . . 0.0 110.341 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 156.94 104.57 0.21 Allowed Glycine 0 N--CA 1.489 2.184 0 N-CA-C 108.995 -1.642 . . . . 0.0 108.995 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' CLH . . . . . 0.519 ' HD2' ' C ' ' B' ' 16' ' ' CLH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' ABA . . . . . 0.612 ' C ' ' CG ' ' B' ' 18' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.616 ' OE1' ' N ' ' B' ' 9' ' ' PHE . 0.0 OUTLIER 167.05 66.39 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.4 -0.812 . . . . 0.0 110.801 -177.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 37.6 m -101.5 123.43 45.53 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.281 -0.887 . . . . 0.0 110.074 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.513 ' CD2' ' HB3' ' B' ' 7' ' ' ARG . 5.9 m-85 -114.29 126.99 55.65 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.238 -0.914 . . . . 0.0 110.184 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.475 HG13 ' O ' ' B' ' 21' ' ' VAL . 7.3 p -116.98 127.41 74.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.19 -0.944 . . . . 0.0 110.21 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -128.79 98.02 4.85 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.184 -0.948 . . . . 0.0 110.148 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -100.23 91.64 1.02 Allowed Glycine 0 N--CA 1.489 2.191 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . 0.426 ' O ' ' HB2' ' B' ' 25' ' ' CYS . . . -138.49 12.37 3.48 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.629 -1.389 . . . . 0.0 109.629 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' CYS . . . . . 0.795 ' SG ' ' HB2' ' B' ' 3' ' ' ALA . 92.2 m 54.53 17.19 1.54 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.158 -1.201 . . . . 0.0 110.182 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 119.866 -1.771 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_