data_1m3v_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 1m3v _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 ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.672 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 37.1 t -78.99 117.55 20.16 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.865 173.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.458 ' HB1' ' CZ2' ' A' ' 28' ' ' TRP . . . -82.32 0.17 42.88 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.155 176.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.767 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -85.53 -47.68 5.04 Favored Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.566 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.9 p -116.61 -121.39 0.3 Allowed 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.84 -178.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -75.3 -63.54 2.48 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 121.308 -0.472 . . . . 0.0 113.371 -174.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 171.62 -76.43 0.1 OUTLIER Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.812 -178.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.86 127.17 31.49 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.89 0.376 . . . . 0.0 110.82 -178.105 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.529 HD13 ' HB3' ' A' ' 27' ' ' TYR . 4.3 mt -100.41 94.05 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.519 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.97 25.45 4.75 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.339 0.59 . . . . 0.0 109.971 177.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.419 ' HB2' ' HE2' ' A' ' 29' ' ' HIS . 0.9 OUTLIER -101.19 169.19 9.08 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.833 -178.182 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -87.2 -29.58 21.64 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.895 176.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.542 ' CD1' ' HB3' ' A' ' 109' ' ' GLU . 7.6 m-30 -93.93 93.71 8.06 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.957 -177.015 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -119.38 153.18 35.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.977 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.51 HD22 HG23 ' A' ' 105' ' ' ILE . 0.4 OUTLIER -137.18 151.32 48.66 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.407 -0.815 . . . . 0.0 108.954 177.692 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.612 ' CD2' ' HE1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -109.06 127.38 54.07 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 176.07 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.554 ' HB3' ' CD1' ' A' ' 28' ' ' TRP . . . -153.62 140.4 19.06 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.866 174.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 27.1 mtp 64.64 25.52 13.11 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.556 0.535 . . . . 0.0 111.395 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 69.12 12.08 8.43 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 121.08 0.467 . . . . 0.0 110.85 -176.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.5 -176.81 3.09 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 174.136 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.672 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 18.2 m-30 -110.72 160.73 16.45 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 175.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.574 ' HA ' ' SG ' ' A' ' 8' ' ' CYS . 73.8 m95 -147.54 167.49 24.36 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.668 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 18.1 m80 -100.13 166.26 11.1 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 169.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.17 -43.75 78.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.614 0.245 . . . . 0.0 111.56 -177.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.9 mtp180 -100.49 -1.64 35.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.475 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.767 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 7.8 m -80.65 -44.29 19.07 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 174.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.57 HD12 HG22 ' A' ' 56' ' ' ILE . 22.0 tp -60.5 -72.98 0.1 Allowed 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.557 177.217 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.31 166.66 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 122.631 1.205 . . . . 0.0 113.633 171.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.476 ' HB2' ' N ' ' A' ' 39' ' ' GLN . 1.7 m -75.22 -172.26 1.66 Allowed 'General case' 0 N--CA 1.437 -1.101 0 CA-C-N 113.269 -1.787 . . . . 0.0 111.745 -175.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.2 m -99.4 -55.0 2.8 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.83 170.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 m -101.82 -49.32 4.01 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -177.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.77 -35.81 79.36 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -175.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.476 ' N ' ' HB2' ' A' ' 35' ' ' CYS . 4.4 mm-40 61.45 45.98 7.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.538 -175.197 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.07 -161.31 0.86 Allowed 'General case' 0 N--CA 1.442 -0.838 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.526 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -101.09 99.97 10.48 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.237 178.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.48 HD21 HD23 ' A' ' 33' ' ' LEU . 0.9 OUTLIER -54.82 -35.97 64.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.686 -178.045 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -82.78 1.05 89.02 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.804 -0.712 . . . . 0.0 113.58 -178.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -107.26 -19.48 13.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 117.263 0.531 . . . . 0.0 111.423 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.405 HD11 ' HB2' ' A' ' 58' ' ' CYS . 1.4 pt -84.55 -0.8 6.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.174 0.512 . . . . 0.0 110.792 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 121.71 178.74 15.84 Favored Glycine 0 N--CA 1.443 -0.844 0 N-CA-C 110.184 -1.167 . . . . 0.0 110.184 -174.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.59 HG22 HG22 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -94.29 99.09 11.38 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 117.965 0.882 . . . . 0.0 110.278 179.153 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 m -163.27 148.03 11.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.078 176.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.503 ' O ' ' HA ' ' A' ' 102' ' ' GLU . 0.1 OUTLIER -157.79 130.78 7.51 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.355 178.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -115.04 127.45 55.65 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 120.962 0.41 . . . . 0.0 110.4 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.0 m -116.84 109.27 16.87 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.702 -178.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -151.46 144.34 24.47 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.0 m 65.5 19.81 11.59 Favored 'General case' 0 N--CA 1.464 0.231 0 O-C-N 123.416 0.448 . . . . 0.0 110.92 -175.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.45 14.11 77.33 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.623 -175.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 52.8 mtm -104.28 165.2 11.21 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.864 0.364 . . . . 0.0 110.676 -178.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.57 HG22 HD12 ' A' ' 33' ' ' LEU . 3.0 mp -119.55 117.05 52.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.69 175.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.618 ' HB3' ' HB3' ' A' ' 61' ' ' ASP . 1.5 mp -124.89 150.39 46.56 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.454 -174.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.417 ' HB3' HD11 ' A' ' 42' ' ' LEU . 24.1 p -79.93 -173.54 3.95 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.021 171.141 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.507 ' O ' HG12 ' A' ' 63' ' ' ILE . 0.8 OUTLIER -67.3 -44.95 77.95 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.719 0.295 . . . . 0.0 110.93 177.564 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -66.64 -44.0 83.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.859 178.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.618 ' HB3' ' HB3' ' A' ' 57' ' ' LEU . 1.1 m-20 -56.34 -43.63 79.26 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.359 0.599 . . . . 0.0 110.079 177.502 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -60.18 -48.26 82.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.296 -178.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.507 HG12 ' O ' ' A' ' 59' ' ' ARG . 44.6 mm -62.3 -28.91 45.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.022 0.439 . . . . 0.0 111.097 -179.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 81.8 mtt180 -79.38 -38.28 35.35 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.321 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.82 -60.5 2.03 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -177.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.439 ' HE2' HD12 ' A' ' 57' ' ' LEU . 4.0 m-85 -119.9 39.98 3.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.995 0.426 . . . . 0.0 110.64 -176.026 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.404 ' HA3' ' O ' ' A' ' 63' ' ' ILE . . . . . . . . 0 N--CA 1.449 -0.455 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.819 -177.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.503 ' HA ' ' O ' ' A' ' 49' ' ' SER . 0.6 OUTLIER . . . . . 0 CA--C 1.533 0.298 0 CA-C-O 120.45 0.167 . . . . 0.0 111.378 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.446 ' HD3' ' HA ' ' A' ' 103' ' ' ARG . 0.0 OUTLIER 59.26 46.2 13.14 Favored 'General case' 0 N--CA 1.462 0.13 0 C-N-CA 122.976 0.51 . . . . 0.0 111.565 178.442 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -111.53 -5.05 14.6 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.59 HG22 HG22 ' A' ' 47' ' ' THR . 8.3 mt -92.66 124.79 45.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-O 121.435 0.636 . . . . 0.0 111.779 -177.184 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.524 ' HB ' ' CG ' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -121.57 115.1 22.17 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.687 -1.142 . . . . 0.0 108.0 171.586 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.1 120.92 19.64 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -169.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.483 HD11 ' HA ' ' A' ' 108' ' ' LEU . 0.1 OUTLIER -146.42 101.73 3.51 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 164.016 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.542 ' HB3' ' CD1' ' A' ' 19' ' ' PHE . 40.8 mt-10 . . . . . 0 C--N 1.322 -0.613 0 CA-C-O 121.558 0.694 . . . . 0.0 110.889 -172.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.502 ' NH2' ' HA2' ' A' ' 12' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.433 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.441 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 17.8 t -86.21 132.18 34.06 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.993 -174.36 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.07 1.27 57.21 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.243 177.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.512 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -85.5 -58.81 2.0 Allowed Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 121.024 -0.608 . . . . 0.0 112.357 -179.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.9 p -95.24 -42.34 8.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.942 0.401 . . . . 0.0 110.46 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.502 ' HA2' ' NH2' ' A' ' 7' ' ' ARG . . . 122.27 11.39 5.69 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.37 -0.919 . . . . 0.0 113.827 174.011 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.35 -155.09 17.74 Favored Glycine 0 N--CA 1.434 -1.466 0 C-N-CA 120.143 -1.027 . . . . 0.0 111.934 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 7' ' ' ARG . 0.6 OUTLIER -102.27 151.64 21.99 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 114.977 -0.611 . . . . 0.0 109.767 176.318 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.442 HG23 ' HB3' ' A' ' 20' ' ' LEU . 1.5 mt -99.52 100.0 9.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.062 0.458 . . . . 0.0 110.833 179.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -97.22 -7.05 33.24 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.603 0.716 . . . . 0.0 109.546 177.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.15 146.04 53.79 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.834 -1.075 . . . . 0.0 110.557 179.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -68.35 -31.0 70.09 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.116 0.484 . . . . 0.0 110.621 -179.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.5 ' HA ' ' HB3' ' A' ' 109' ' ' GLU . 11.3 m-30 -104.37 128.44 52.21 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.778 -179.511 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.592 ' N ' HD12 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -156.07 175.59 13.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.777 0.322 . . . . 0.0 111.437 -178.616 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.655 HD23 HG23 ' A' ' 105' ' ' ILE . 0.3 OUTLIER -129.73 159.51 36.25 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.534 -178.679 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.461 ' HD2' ' CD1' ' A' ' 27' ' ' TYR . 4.3 m-85 -127.57 126.58 42.38 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 177.073 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -152.28 125.65 8.76 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.884 -0.327 . . . . 0.0 111.258 -178.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 63.29 37.4 11.07 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.178 179.432 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.52 4.61 1.83 Allowed 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.195 -178.374 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -108.36 146.13 33.46 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 173.017 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.461 ' CD1' ' HD2' ' A' ' 22' ' ' TYR . 11.3 m-30 -93.37 156.13 16.97 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -178.161 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.484 ' CD2' HD23 ' A' ' 33' ' ' LEU . 67.9 m95 -141.57 162.61 35.06 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.21 -172.126 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.697 ' HB2' ' HB2' ' A' ' 32' ' ' CYS . 15.1 m80 -88.28 159.1 18.25 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 107.921 -1.141 . . . . 0.0 107.921 167.632 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.45 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 0.5 OUTLIER -60.66 -49.88 75.75 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.864 0.364 . . . . 0.0 110.492 179.424 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 ttp85 -76.72 -19.55 57.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.366 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.697 ' HB2' ' HB2' ' A' ' 29' ' ' HIS . 23.7 m -78.81 -27.81 44.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.742 179.368 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.484 HD23 ' CD2' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -82.32 72.03 9.38 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.657 0.742 . . . . 0.0 109.712 175.408 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.527 ' HG3' ' HA ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -119.33 167.91 11.44 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.213 -176.885 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.525 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 35.9 t -67.85 142.02 56.26 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.862 175.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.9 m -73.26 -10.67 60.01 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.098 0.475 . . . . 0.0 110.519 177.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.37 -46.77 3.05 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.188 -179.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.525 ' HB2' ' HB3' ' A' ' 35' ' ' CYS . 75.7 m -80.61 -33.17 36.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.394 -178.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.527 ' HA ' ' HG3' ' A' ' 34' ' ' LYS . 70.8 mm-40 64.74 20.44 12.13 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.183 -174.126 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -99.79 134.22 43.01 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.276 177.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.665 ' HB3' ' HB2' ' A' ' 44' ' ' ASP . 8.0 tt0 -53.23 123.7 12.54 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.784 -177.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.507 HD13 ' HA ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -71.53 -29.63 64.99 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.35 -179.236 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.52 -0.65 87.69 Favored Glycine 0 CA--C 1.519 0.323 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.382 176.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.665 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . 22.8 t70 -87.06 -16.08 36.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.276 0.56 . . . . 0.0 110.246 179.279 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 11.8 pt -105.81 11.24 8.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.399 0.618 . . . . 0.0 110.413 178.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.35 -147.27 17.87 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 110.801 -0.92 . . . . 0.0 110.801 -176.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.17 100.79 10.37 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 117.149 0.475 . . . . 0.0 110.1 175.073 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.445 ' O ' HD13 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -162.71 140.74 8.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.524 178.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 31.3 p -175.34 147.51 0.88 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.877 0.37 . . . . 0.0 111.134 176.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.422 ' HE2' ' HD3' ' A' ' 59' ' ' ARG . 10.8 m-85 -116.31 141.84 47.63 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.428 173.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.9 m -137.2 102.22 4.76 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.133 0.492 . . . . 0.0 110.722 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.1 mmtm -141.74 136.21 30.54 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.368 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.7 m 70.92 13.3 7.05 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 123.345 0.403 . . . . 0.0 110.701 -174.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 78.7 -0.52 76.72 Favored Glycine 0 N--CA 1.45 -0.393 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -171.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.32 121.47 30.76 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.214 -0.493 . . . . 0.0 109.941 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.2 mp -97.4 113.53 32.1 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.793 178.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.27 175.25 7.18 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.689 -177.213 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.754 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 12.3 p -81.91 177.05 9.07 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.569 174.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.422 ' HD3' ' HE2' ' A' ' 50' ' ' TYR . 0.4 OUTLIER -67.29 -37.93 84.22 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.307 0.575 . . . . 0.0 110.007 177.635 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.93 -44.71 65.57 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.209 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.754 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 3.4 m-20 -69.04 -29.15 67.24 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.744 0.275 . . . . 0.0 111.744 -175.296 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -61.83 -40.9 96.9 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.456 179.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.9 mm -73.39 -17.1 17.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.223 0.535 . . . . 0.0 110.79 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -88.91 -35.87 16.25 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.663 178.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.41 HD11 ' HA ' ' A' ' 65' ' ' LEU . 5.4 tp -91.42 -41.35 10.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.932 -176.123 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -108.56 -42.94 4.41 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.775 0.322 . . . . 0.0 110.445 -178.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.393 0 C-N-CA 121.107 -0.568 . . . . 0.0 112.514 179.676 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.304 0 CA-C-O 120.807 0.337 . . . . 0.0 111.486 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.28 44.49 12.46 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.385 179.045 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.34 -16.27 33.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.793 -178.284 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.655 HG23 HD23 ' A' ' 21' ' ' LEU . 11.3 mt -72.04 122.01 23.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.109 0.48 . . . . 0.0 111.074 -179.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 97.9 m -118.69 103.74 9.96 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 172.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.433 ' HD3' ' O ' ' A' ' 107' ' ' ARG . 0.0 OUTLIER -119.71 120.92 38.01 Favored 'General case' 0 C--N 1.319 -0.759 0 O-C-N 121.527 -0.733 . . . . 0.0 111.308 -174.042 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -145.77 101.28 3.53 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.148 174.337 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.5 ' HB3' ' HA ' ' A' ' 19' ' ' PHE . 2.0 mp0 . . . . . 0 C--N 1.319 -0.721 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.148 -178.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.614 ' HG2' ' N ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.541 0.603 0 CA-C-O 120.563 0.22 . . . . 0.0 111.035 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.73 ' HB2' HG12 ' A' ' 15' ' ' ILE . 43.9 t -67.23 121.19 15.12 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 120.929 0.395 . . . . 0.0 111.625 -175.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.09 -5.96 59.33 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.286 174.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.897 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -74.24 -45.83 23.48 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.254 179.013 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.3 p -112.35 -88.26 0.54 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 176.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 165.13 69.92 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.679 0 N-CA-C 111.482 -0.647 . . . . 0.0 111.482 178.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 178.58 143.43 5.22 Favored Glycine 0 N--CA 1.432 -1.571 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 -177.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -59.45 122.04 13.0 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.73 HG12 ' HB2' ' A' ' 8' ' ' CYS . 3.1 mt -67.05 116.75 6.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.906 -177.166 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.55 20.1 8.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.258 0.552 . . . . 0.0 110.453 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -100.2 148.68 24.36 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.559 177.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.77 2.79 56.26 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.383 0.611 . . . . 0.0 110.071 178.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -123.79 87.56 2.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.312 175.191 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.455 HD22 ' HB ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -105.77 157.95 17.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.284 0.564 . . . . 0.0 111.483 -176.906 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.58 HD21 HG23 ' A' ' 105' ' ' ILE . 0.4 OUTLIER -97.43 152.94 18.45 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.804 -1.089 . . . . 0.0 108.121 171.308 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.565 ' HD2' ' CE1' ' A' ' 27' ' ' TYR . 1.1 m-85 -129.35 126.31 38.63 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.523 ' HB1' HD12 ' A' ' 104' ' ' LEU . . . -152.84 118.6 5.37 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.936 -178.259 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 2.4 mtp 60.05 52.64 5.02 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.199 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 74.38 -40.64 0.45 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.829 0.851 . . . . 0.0 112.677 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.76 156.95 27.24 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.029 0.442 . . . . 0.0 110.372 -178.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.665 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 9.5 m-30 -100.69 157.47 16.66 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.495 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 30.1 m95 -137.0 162.41 33.39 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 -174.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.585 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 16.5 m80 -81.53 155.02 25.96 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 168.008 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.455 ' HA ' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -62.16 -27.79 69.21 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.98 0.419 . . . . 0.0 110.484 179.625 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.62 1.86 41.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.334 178.316 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.897 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 1.8 m -94.31 -30.18 14.66 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 122.231 -0.293 . . . . 0.0 110.882 -179.308 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.526 HD23 HD22 ' A' ' 21' ' ' LEU . 16.2 tp -82.92 82.3 8.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.25 0.548 . . . . 0.0 109.971 175.003 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.818 ' HG3' ' HA ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -134.26 168.65 18.49 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.088 -175.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.673 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 38.3 t -65.13 145.89 55.7 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.286 177.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.95 -17.16 61.05 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.028 0.442 . . . . 0.0 110.466 177.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -111.06 -42.73 3.89 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.317 -179.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.673 ' HB2' ' HB3' ' A' ' 35' ' ' CYS . 86.4 m -76.65 -51.44 11.54 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.08 178.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.818 ' HA ' ' HG3' ' A' ' 34' ' ' LYS . 0.0 OUTLIER 64.56 29.91 12.99 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.594 -176.315 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.17 -155.24 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.652 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.44 ' HB3' ' HB2' ' A' ' 44' ' ' ASP . 16.1 tp60 -96.16 99.85 11.55 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.405 179.459 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.444 HD23 HG21 ' A' ' 56' ' ' ILE . 0.5 OUTLIER -73.29 -3.83 29.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.311 -178.268 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.512 ' HA2' HG23 ' A' ' 47' ' ' THR . . . -121.91 21.74 7.82 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.272 179.175 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.44 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . 16.1 t70 -105.57 -50.69 3.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.116 0.484 . . . . 0.0 110.959 -179.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -94.9 52.78 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.54 -179.025 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 94.5 118.46 3.04 Favored Glycine 0 N--CA 1.446 -0.67 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 -174.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.512 HG23 ' HA2' ' A' ' 43' ' ' GLY . 0.0 OUTLIER -78.98 100.93 7.51 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 122.414 -0.462 . . . . 0.0 110.816 -174.37 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.432 ' HG ' ' C ' ' A' ' 47' ' ' THR . 48.9 m -162.02 111.42 1.5 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.314 177.544 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.477 ' O ' ' HA ' ' A' ' 102' ' ' GLU . 3.1 p -113.1 159.95 18.69 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 176.254 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.636 ' HE2' ' HD3' ' A' ' 59' ' ' ARG . 6.0 m-85 -116.02 118.89 34.15 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.619 0.247 . . . . 0.0 110.764 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.576 ' OG1' HD21 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -90.86 101.71 14.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.734 178.558 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.486 ' HG2' ' O ' ' A' ' 51' ' ' THR . 9.2 mmtm -150.72 141.75 23.02 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 178.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.8 m 61.97 26.92 16.3 Favored 'General case' 0 C--N 1.332 -0.188 0 O-C-N 123.506 0.504 . . . . 0.0 111.533 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.24 18.56 65.25 Favored Glycine 0 CA--C 1.518 0.221 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.073 -178.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.431 ' HG2' ' O ' ' A' ' 52' ' ' LYS . 1.6 ptt? -129.89 170.5 13.83 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -179.284 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.444 HG21 HD23 ' A' ' 42' ' ' LEU . 16.3 mm -120.82 122.44 67.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.396 -178.325 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 mp -122.1 165.2 16.45 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.611 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.658 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 30.5 p -83.29 175.45 9.89 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 172.334 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.636 ' HD3' ' HE2' ' A' ' 50' ' ' TYR . 6.7 tpp180 -63.8 -43.66 95.64 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.547 177.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -62.72 -47.51 83.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.03 0.443 . . . . 0.0 111.253 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.658 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 0.8 OUTLIER -70.47 -32.63 70.24 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.716 -178.681 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -63.92 -45.15 90.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.505 175.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.554 HG12 ' O ' ' A' ' 59' ' ' ARG . 3.5 mm -61.03 -38.42 79.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.166 0.508 . . . . 0.0 110.806 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.498 ' NH1' ' HA ' ' A' ' 61' ' ' ASP . 1.7 mtp-105 -80.5 -0.48 37.67 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.52 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.54 -70.28 0.81 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.81 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -115.93 -21.69 9.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.782 0.325 . . . . 0.0 111.479 -177.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.242 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.925 -176.708 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.599 ' HB3' ' CE1' ' A' ' 50' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--O 1.235 0.332 0 CA-C-O 120.46 0.171 . . . . 0.0 110.693 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 56.85 45.5 21.43 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.744 175.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.576 HD21 ' OG1' ' A' ' 51' ' ' THR . 0.4 OUTLIER -98.61 11.41 38.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.561 178.586 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.58 HG23 HD21 ' A' ' 21' ' ' LEU . 1.6 mt -74.79 102.55 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.825 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.401 ' HB ' ' HB2' ' A' ' 22' ' ' TYR . 60.6 m -105.24 115.07 29.64 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 173.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.29 112.14 10.17 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-O 121.159 0.504 . . . . 0.0 110.738 -172.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.1 mp -128.21 161.94 28.14 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.13 176.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.314 -0.953 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.136 -177.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.664 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 0.0 OUTLIER . . . . . 0 CA--C 1.539 0.535 0 CA-C-O 122.062 0.934 . . . . 0.0 111.855 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.61 ' HB2' HG12 ' A' ' 15' ' ' ILE . 12.5 t -74.01 156.04 37.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.604 -1.18 . . . . 0.0 111.061 -176.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -114.59 12.5 17.27 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.631 174.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.644 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -113.28 -39.12 1.16 Allowed Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.435 -0.888 . . . . 0.0 113.317 -176.037 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.418 ' SG ' ' N ' ' A' ' 12' ' ' GLY . 26.5 p -122.39 -120.32 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.024 0.44 . . . . 0.0 111.651 -175.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.418 ' N ' ' SG ' ' A' ' 11' ' ' CYS . . . -84.3 -39.99 8.78 Favored Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.908 179.003 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 135.71 -10.64 4.28 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.271 -0.966 . . . . 0.0 113.645 176.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.66 81.41 8.64 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 117.048 0.424 . . . . 0.0 110.716 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.61 HG12 ' HB2' ' A' ' 8' ' ' CYS . 2.6 mt -68.32 153.85 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.667 178.171 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.99 74.49 10.52 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 165.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.514 ' HA ' ' HB3' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -61.88 -6.93 3.1 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 114.669 -1.15 . . . . 0.0 112.245 -166.809 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -12.22 49.33 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 172.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.593 ' HA ' ' HB2' ' A' ' 109' ' ' GLU . 12.4 m-85 -160.04 67.86 0.37 Allowed 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.894 -177.026 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.627 HD22 ' HG3' ' A' ' 109' ' ' GLU . 0.1 OUTLIER -107.15 168.99 8.83 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-O 121.421 0.629 . . . . 0.0 112.131 -175.391 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.797 HD23 ' HG ' ' A' ' 33' ' ' LEU . 1.0 OUTLIER -118.31 148.9 42.0 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.402 -179.551 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.585 ' HD2' HG23 ' A' ' 106' ' ' THR . 3.1 m-85 -118.55 99.55 6.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.054 177.191 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.573 ' HB3' HD11 ' A' ' 104' ' ' LEU . . . -135.69 142.32 45.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.709 0.29 . . . . 0.0 111.386 -177.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.7 mtt 62.18 30.68 17.74 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.12 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 64.2 16.08 9.8 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.357 -176.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -127.18 164.09 22.42 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 176.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.515 ' CD1' ' HD1' ' A' ' 22' ' ' TYR . 18.9 m-30 -101.68 153.04 20.13 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -179.225 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.593 ' CD2' HD23 ' A' ' 33' ' ' LEU . 87.5 m95 -144.12 171.94 13.59 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.85 -167.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.576 ' HB2' ' HB2' ' A' ' 32' ' ' CYS . 1.5 m80 -94.67 170.5 9.41 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.333 -1.303 . . . . 0.0 110.087 170.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -36.65 78.58 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.518 0.675 . . . . 0.0 110.11 172.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.414 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -86.36 -31.72 21.35 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.153 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.644 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 93.0 m -78.77 -31.05 45.96 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 111.505 0.187 . . . . 0.0 111.505 -174.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.797 ' HG ' HD23 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -80.75 75.5 7.66 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 170.648 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.17 160.78 21.5 Favored 'General case' 0 CA--C 1.501 -0.922 0 CA-C-N 114.869 -1.06 . . . . 0.0 111.658 -171.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.468 ' HB2' ' H ' ' A' ' 39' ' ' GLN . 11.0 m -63.48 164.52 9.2 Favored 'General case' 0 N--CA 1.434 -1.252 0 CA-C-N 112.867 -1.97 . . . . 0.0 111.889 178.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.94 -19.34 23.39 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.329 176.274 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.61 -62.76 1.55 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.965 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.2 m -58.9 -40.59 84.92 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.047 178.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.468 ' H ' ' HB2' ' A' ' 35' ' ' CYS . 62.0 mt-30 48.64 40.02 14.72 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.59 0.756 . . . . 0.0 111.677 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -91.11 -149.87 0.23 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.478 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.86 64.77 2.07 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 175.214 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.604 ' HG ' HD13 ' A' ' 105' ' ' ILE . 41.0 tp -60.16 -34.08 73.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.639 -177.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.461 ' O ' ' HG3' ' A' ' 107' ' ' ARG . . . -78.84 15.61 9.87 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.997 -0.62 . . . . 0.0 113.494 179.284 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -133.33 10.41 4.1 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 117.218 0.509 . . . . 0.0 110.965 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.529 HG12 ' O ' ' A' ' 42' ' ' LEU . 23.4 pt -92.92 -28.21 4.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.842 0.353 . . . . 0.0 111.215 -179.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 96.18 -29.48 10.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.874 -0.679 . . . . 0.0 113.027 176.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.567 ' O ' HD11 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -78.51 148.87 33.27 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.499 0.19 . . . . 0.0 110.649 -179.368 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.533 ' HA ' ' HB ' ' A' ' 105' ' ' ILE . 1.3 m -77.25 139.09 39.76 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.899 0.381 . . . . 0.0 110.879 -177.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.502 ' HB2' ' O ' ' A' ' 57' ' ' LEU . 1.4 p -95.03 -170.61 2.23 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.667 -178.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.469 ' CD2' ' HD2' ' A' ' 59' ' ' ARG . 0.6 OUTLIER -129.83 143.96 51.07 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.37 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.25 125.02 53.38 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.874 0.369 . . . . 0.0 111.502 -177.133 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.438 ' HG3' ' CE1' ' A' ' 62' ' ' TYR . 19.6 mmtt -149.61 146.47 27.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.081 178.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.8 m 60.28 22.37 11.8 Favored 'General case' 0 C--N 1.332 -0.168 0 O-C-N 123.469 0.481 . . . . 0.0 111.106 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.38 -2.39 45.98 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.9 -0.666 . . . . 0.0 112.232 -176.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 6.2 mtm -93.99 170.0 9.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.251 0.548 . . . . 0.0 110.498 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.8 mt -110.63 118.38 57.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.057 177.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.504 ' HB3' ' HB3' ' A' ' 61' ' ' ASP . 1.1 mp -124.5 162.39 24.08 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.882 -178.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.45 ' SG ' ' N ' ' A' ' 61' ' ' ASP . 14.1 p -81.57 176.59 9.53 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 169.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.652 ' O ' HG12 ' A' ' 63' ' ' ILE . 4.2 mmm-85 -71.27 -31.63 67.73 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 175.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.471 ' O ' ' HD3' ' A' ' 64' ' ' ARG . 55.8 t30 -62.69 -50.11 72.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.591 173.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.504 ' HB3' ' HB3' ' A' ' 57' ' ' LEU . 1.4 m-20 -55.27 -46.68 76.13 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.224 176.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.438 ' CE1' ' HG3' ' A' ' 52' ' ' LYS . 28.1 t80 -54.87 -45.83 74.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.403 179.119 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.652 HG12 ' O ' ' A' ' 59' ' ' ARG . 21.4 mm -68.49 -25.92 32.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.972 0.415 . . . . 0.0 111.274 -178.067 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.471 ' HD3' ' O ' ' A' ' 60' ' ' ASN . 2.5 mpp_? -82.37 -35.17 28.02 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.89 0.376 . . . . 0.0 110.941 178.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 65' ' ' LEU . 3.5 tp -90.47 -44.46 9.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.878 -175.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -130.31 39.99 3.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.948 0.404 . . . . 0.0 110.349 -176.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.409 ' HA3' ' O ' ' A' ' 63' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.263 0 C-N-CA 121.088 -0.577 . . . . 0.0 113.191 -176.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.448 -0.547 0 CA-C-O 121.178 0.513 . . . . 0.0 112.142 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.43 29.05 16.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 114.827 -1.079 . . . . 0.0 112.081 177.372 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.573 HD11 ' HB3' ' A' ' 23' ' ' ALA . 38.1 tp -66.93 -45.76 76.88 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 176.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.642 ' HA ' HD22 ' A' ' 21' ' ' LEU . 37.5 mt -82.99 124.13 39.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.454 0.645 . . . . 0.0 110.371 174.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.585 HG23 ' HD2' ' A' ' 22' ' ' TYR . 88.3 m -131.18 86.15 2.34 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 175.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.461 ' HG3' ' O ' ' A' ' 43' ' ' GLY . 0.0 OUTLIER -119.5 96.86 5.38 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.907 -172.777 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.34 102.3 3.58 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.575 174.147 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.627 ' HG3' HD22 ' A' ' 20' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--O 1.21 -1.018 0 N-CA-C 112.176 0.435 . . . . 0.0 112.176 178.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.45 -0.451 0 CA-C-O 120.924 0.393 . . . . 0.0 110.137 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.672 ' HB2' HG12 ' A' ' 15' ' ' ILE . 38.5 t -89.62 137.89 31.94 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.125 -176.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -102.44 3.88 38.19 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.189 176.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.839 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -84.84 -43.42 6.79 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.042 -178.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.8 p -106.42 -73.78 0.67 Allowed 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 175.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 151.89 51.1 0.01 OUTLIER Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.542 -0.837 . . . . 0.0 113.112 177.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -156.13 -149.8 5.45 Favored Glycine 0 N--CA 1.436 -1.345 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.569 176.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.3 tttt -100.73 150.16 23.06 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 176.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.672 HG12 ' HB2' ' A' ' 8' ' ' CYS . 2.1 mt -94.1 105.85 17.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 120.978 0.418 . . . . 0.0 110.653 179.156 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.5 -5.9 53.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.241 0.543 . . . . 0.0 110.051 178.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.89 145.89 37.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.373 179.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.87 -45.15 71.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.542 -178.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -89.78 97.6 11.29 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.795 -177.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.6 HD21 ' HB ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -101.78 166.64 10.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.998 177.885 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.629 HD21 ' HG ' ' A' ' 33' ' ' LEU . 0.4 OUTLIER -119.07 140.53 49.93 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.858 173.886 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.402 ' HB2' ' HB ' ' A' ' 106' ' ' THR . 3.2 m-85 -113.2 113.59 25.57 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -179.011 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -152.67 140.61 20.17 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 121.014 -0.274 . . . . 0.0 111.575 -177.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 6.1 mtm 62.63 32.88 16.11 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.107 179.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 64.47 16.8 10.47 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.997 -178.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -130.25 165.92 21.42 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.959 177.612 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.488 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 2.7 m-85 -110.36 152.42 26.25 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.89 -177.427 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -139.93 164.54 29.73 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.765 -171.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.583 ' HB2' ' HB2' ' A' ' 32' ' ' CYS . 8.3 m80 -79.83 172.0 14.36 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 170.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.34 -44.81 82.26 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 120.881 0.372 . . . . 0.0 110.573 176.12 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.1 ttm105 -92.51 1.95 56.96 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.839 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 42.8 m -95.41 -20.62 18.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 122.075 -0.391 . . . . 0.0 110.609 178.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.629 ' HG ' HD21 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -87.61 76.45 8.9 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 122.084 0.945 . . . . 0.0 109.499 173.896 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.426 ' HE2' ' O ' ' A' ' 32' ' ' CYS . 0.0 OUTLIER -128.65 164.02 23.81 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 114.367 -1.288 . . . . 0.0 109.672 -176.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 35.0 t -60.48 147.45 41.15 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.967 0.413 . . . . 0.0 110.798 -179.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.1 m -77.93 -12.11 59.95 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.071 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.41 -46.57 2.87 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.937 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 70.0 m -79.53 -30.95 42.01 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -178.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.423 ' HA ' ' HG3' ' A' ' 34' ' ' LYS . 18.1 mm-40 60.92 29.53 19.07 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.331 0.586 . . . . 0.0 110.42 -174.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.49 138.41 37.58 Favored 'General case' 0 N--CA 1.438 -1.066 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.395 176.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.744 ' HB3' ' HB2' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -57.13 114.99 2.38 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 114.948 -1.023 . . . . 0.0 110.229 -177.183 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.423 ' O ' HG12 ' A' ' 45' ' ' ILE . 19.6 mt -79.09 -29.87 43.55 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.384 -174.51 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.38 -7.87 79.08 Favored Glycine 0 C--N 1.329 0.162 0 C-N-CA 120.61 -0.805 . . . . 0.0 111.771 176.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.744 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . 6.8 t0 -69.79 -26.08 64.1 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 122.89 0.476 . . . . 0.0 110.668 178.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.423 HG12 ' O ' ' A' ' 42' ' ' LEU . 17.2 pt -100.21 -1.78 9.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.661 -179.201 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 123.72 -122.82 5.02 Favored Glycine 0 N--CA 1.445 -0.726 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.53 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.499 ' HA ' HD12 ' A' ' 105' ' ' ILE . 0.1 OUTLIER -128.23 103.25 7.08 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-O 121.636 0.731 . . . . 0.0 109.933 173.884 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.552 ' HA ' ' O ' ' A' ' 102' ' ' GLU . 4.4 m -161.04 111.24 1.71 Allowed 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.54 179.523 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.34 124.27 7.37 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 177.335 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -84.12 112.1 19.92 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 120.995 0.426 . . . . 0.0 111.061 -173.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.611 HG22 HD23 ' A' ' 104' ' ' LEU . 0.2 OUTLIER -85.99 100.24 12.0 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.183 -176.07 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.925 ' HE2' HD12 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -157.4 137.32 12.45 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.904 -1.044 . . . . 0.0 108.314 176.205 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 64.98 14.19 9.17 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 123.39 0.431 . . . . 0.0 111.253 -177.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 61.77 21.2 60.54 Favored Glycine 0 C--N 1.333 0.41 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 -173.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.552 ' HB3' ' NZ ' ' A' ' 52' ' ' LYS . 10.9 ttm -113.14 117.32 31.62 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.533 -0.334 . . . . 0.0 110.385 -173.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -77.22 114.3 17.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.98 -179.197 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.925 HD12 ' HE2' ' A' ' 52' ' ' LYS . 87.5 mt -125.83 166.09 17.5 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.309 177.235 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 7.5 p -81.4 -177.19 6.39 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.331 175.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.6 mtt85 -80.78 -10.58 59.71 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.488 176.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -93.76 -49.18 5.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.816 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -63.66 -35.69 81.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.687 -177.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -55.2 -41.87 72.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.373 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.1 mm -64.37 -34.7 71.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.759 -176.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -85.68 -31.49 22.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.46 -177.479 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 65.3 mt -91.72 -39.03 12.05 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -174.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -125.23 -41.82 2.04 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -172.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.541 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.872 -175.561 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.552 ' O ' ' HA ' ' A' ' 48' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.149 0 CA-C-O 120.51 0.195 . . . . 0.0 111.304 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.4 ' HA ' ' HD3' ' A' ' 103' ' ' ARG . 0.2 OUTLIER -77.69 52.41 1.0 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.439 0.637 . . . . 0.0 111.124 -179.022 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.611 HD23 HG22 ' A' ' 51' ' ' THR . 16.1 tp -93.39 -22.14 19.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.663 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.499 HD12 ' HA ' ' A' ' 47' ' ' THR . 54.6 mt -76.61 105.71 5.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.211 0.529 . . . . 0.0 110.615 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.402 ' HB ' ' HB2' ' A' ' 22' ' ' TYR . 36.2 m -100.9 106.01 17.33 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.232 176.536 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.3 111.79 19.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.054 0.455 . . . . 0.0 109.991 -177.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 11.7 mt -145.62 100.69 3.47 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.889 177.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 21.3 pm0 . . . . . 0 C--N 1.316 -0.879 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.976 179.29 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.523 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.406 0 CA-C-O 121.084 0.469 . . . . 0.0 110.543 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.7 t -77.33 145.76 37.16 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.197 -0.911 . . . . 0.0 111.478 -176.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.419 ' HA ' ' NH2' ' A' ' 7' ' ' ARG . . . -109.55 8.84 25.25 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.194 172.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.629 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -102.4 -44.77 1.79 Allowed Glycine 0 N--CA 1.444 -0.799 0 CA-C-N 115.397 -0.82 . . . . 0.0 112.592 -177.217 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.6 p -110.34 -95.19 0.42 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.985 0.392 . . . . 0.0 111.13 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -105.54 -91.67 2.23 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 121.035 -0.602 . . . . 0.0 112.858 -178.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -151.07 -97.16 0.16 Allowed Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.73 -177.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.551 ' HD3' ' HB2' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -54.17 114.99 1.82 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.924 0.392 . . . . 0.0 111.853 -177.104 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.528 HG23 ' HB2' ' A' ' 17' ' ' ASP . 10.2 mt -73.45 -71.85 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.824 -179.689 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.551 ' HB2' ' HD3' ' A' ' 14' ' ' LYS . . . 62.6 20.48 12.04 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 123.555 0.534 . . . . 0.0 111.458 -179.038 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.528 ' HB2' HG23 ' A' ' 15' ' ' ILE . 0.5 OUTLIER -100.6 155.9 17.61 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.755 175.698 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 ttm105 -75.89 -40.13 55.06 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 176.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.0 m-30 -91.66 113.5 25.78 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.162 178.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.556 HD11 ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -151.66 168.59 24.53 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.492 177.897 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.595 HD13 ' HA3' ' A' ' 43' ' ' GLY . 0.2 OUTLIER -128.2 154.48 45.77 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.0 0.429 . . . . 0.0 110.942 -177.35 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.459 ' HD2' ' CD1' ' A' ' 27' ' ' TYR . 2.8 m-85 -121.35 114.47 21.37 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.052 177.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -146.38 130.63 17.52 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.818 0.342 . . . . 0.0 111.423 -176.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 61.26 39.09 16.03 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.233 178.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 59.32 25.17 13.78 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.306 -178.138 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.91 148.01 52.29 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.393 175.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.459 ' CD1' ' HD2' ' A' ' 22' ' ' TYR . 11.6 m-30 -97.99 149.2 22.7 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 -177.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.46 ' CD2' HD22 ' A' ' 33' ' ' LEU . 35.2 m95 -142.07 175.09 10.01 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.846 -172.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.597 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 15.9 m80 -94.16 166.51 12.09 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 166.105 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -42.73 98.84 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.912 0.386 . . . . 0.0 110.838 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.6 tpp85 -84.16 -20.17 32.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.214 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.629 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 57.8 m -77.95 -24.45 48.19 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.637 HD12 HD11 ' A' ' 105' ' ' ILE . 0.5 OUTLIER -85.36 87.58 7.4 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 172.426 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.536 ' HG3' ' HA ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -132.28 170.69 14.7 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.974 -175.437 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 41.9 t -60.18 145.94 45.24 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.258 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.1 m -84.01 -8.98 59.0 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.376 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.3 m -111.15 -43.21 3.77 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.372 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.5 m -100.38 -17.44 17.22 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -177.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.536 ' HA ' ' HG3' ' A' ' 34' ' ' LYS . 87.2 mm-40 63.61 22.15 13.03 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.51 0.671 . . . . 0.0 109.287 -170.455 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.26 122.7 23.26 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.118 -179.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.682 ' HG3' ' HB3' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -48.57 116.67 1.68 Allowed 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 114.365 -1.289 . . . . 0.0 111.096 -179.748 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.51 HD22 ' HA ' ' A' ' 58' ' ' CYS . 55.9 mt -108.08 -39.94 5.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.663 -175.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.595 ' HA3' HD13 ' A' ' 21' ' ' LEU . . . -85.89 -32.29 18.42 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.091 -1.052 . . . . 0.0 112.879 -177.416 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.682 ' HB3' ' HG3' ' A' ' 41' ' ' GLN . 10.2 t0 -75.78 -5.12 44.3 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -175.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 pt -95.83 -13.28 8.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.549 176.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.33 -20.88 43.61 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.909 -0.662 . . . . 0.0 113.569 175.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.59 174.05 10.88 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.774 0.287 . . . . 0.0 111.255 -178.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.439 ' HA ' ' HB ' ' A' ' 105' ' ' ILE . 0.1 OUTLIER -89.98 158.72 17.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.05 0.452 . . . . 0.0 111.357 -178.217 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.5 p -105.65 171.92 7.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.12 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.481 ' HE2' ' HG3' ' A' ' 59' ' ' ARG . 2.0 m-85 -110.31 114.22 27.5 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.059 177.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -112.25 115.42 28.77 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.202 0.525 . . . . 0.0 111.22 -178.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.474 ' HB3' ' CE1' ' A' ' 66' ' ' PHE . 17.0 tptt -144.89 135.06 24.04 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.359 177.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.593 ' HB2' ' HG3' ' A' ' 55' ' ' MET . 66.3 m 68.78 17.25 8.84 Favored 'General case' 0 N--CA 1.466 0.34 0 O-C-N 123.433 0.458 . . . . 0.0 110.931 -176.07 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 78.1 -5.51 54.01 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.506 -0.854 . . . . 0.0 111.359 -172.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.593 ' HG3' ' HB2' ' A' ' 53' ' ' SER . 0.1 OUTLIER -80.58 116.66 20.73 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 121.266 0.555 . . . . 0.0 109.821 178.064 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 13.2 mt -85.77 100.55 9.01 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.046 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.36 177.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.679 HD22 HD23 ' A' ' 65' ' ' LEU . 3.8 mt -112.42 164.76 12.89 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.25 -172.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.647 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 25.6 p -80.5 167.82 19.68 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.417 -0.81 . . . . 0.0 109.256 173.442 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.481 ' HG3' ' HE2' ' A' ' 50' ' ' TYR . 20.0 ttm-85 -61.02 -38.22 85.32 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.763 0.316 . . . . 0.0 111.532 -176.388 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.437 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 36.8 t30 -72.77 -42.99 63.38 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.626 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.647 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 4.6 m-20 -60.26 -39.28 86.26 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.636 -178.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.423 ' HE1' ' HB2' ' A' ' 52' ' ' LYS . 83.8 t80 -56.56 -40.76 75.71 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.017 -178.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 13.0 mm -72.15 -20.85 20.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -178.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' A' ' 60' ' ' ASN . 5.1 mtp180 -85.06 -42.95 14.35 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.728 176.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.679 HD23 HD22 ' A' ' 57' ' ' LEU . 0.4 OUTLIER -77.05 -43.2 35.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.849 -175.035 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.474 ' CE1' ' HB3' ' A' ' 52' ' ' LYS . 88.6 m-85 -117.98 -43.17 2.77 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.049 -176.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.916 -0.659 . . . . 0.0 113.127 177.43 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.173 0 N-CA-C 110.561 -0.163 . . . . 0.0 110.561 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 64.05 23.98 13.4 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.978 0.418 . . . . 0.0 111.328 177.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.79 19.91 15.15 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.896 0.379 . . . . 0.0 110.704 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.637 HD11 HD12 ' A' ' 33' ' ' LEU . 2.5 mt -115.17 119.4 61.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.141 0.496 . . . . 0.0 110.307 175.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 40.1 m -109.95 108.96 19.41 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 174.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.03 100.65 7.09 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -171.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 34.0 mt -137.57 110.52 7.71 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.871 178.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 . . . . . 0 C--N 1.314 -0.941 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.719 -178.538 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.44 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.683 ' HB2' HG12 ' A' ' 15' ' ' ILE . 2.8 t -62.82 124.54 21.3 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.168 -177.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.69 2.58 29.02 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.937 178.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.868 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -88.07 -49.36 3.8 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.032 178.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.426 ' SG ' ' N ' ' A' ' 12' ' ' GLY . 21.0 p -108.67 -86.81 0.51 Allowed 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.491 177.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.426 ' N ' ' SG ' ' A' ' 11' ' ' CYS . . . 160.73 77.28 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 121.148 -0.548 . . . . 0.0 112.123 179.547 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -178.82 -174.85 45.39 Favored Glycine 0 N--CA 1.425 -2.083 0 N-CA-C 110.046 -1.222 . . . . 0.0 110.046 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.3 mtmt -82.91 131.07 35.2 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-N 115.495 -0.353 . . . . 0.0 110.075 177.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.683 HG12 ' HB2' ' A' ' 8' ' ' CYS . 3.9 mt -78.19 90.41 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.719 -177.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.31 24.38 2.96 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.821 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -100.51 147.86 25.43 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.476 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.1 -5.78 59.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.02 0.438 . . . . 0.0 110.152 177.535 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -116.94 86.25 2.47 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.299 175.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.454 HD13 HD11 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -114.16 169.61 8.9 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.8 -175.758 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.678 HD23 HG21 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -131.14 157.17 43.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.851 -177.427 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.676 ' HD2' HG23 ' A' ' 106' ' ' THR . 5.6 m-85 -125.83 125.44 42.88 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 175.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -151.89 128.05 10.48 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 121.172 -0.211 . . . . 0.0 110.942 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.0 mmm 63.09 37.4 11.56 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.94 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 59.8 17.2 6.22 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.701 -178.116 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -120.48 143.83 48.32 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 173.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.458 ' CD1' ' HD1' ' A' ' 22' ' ' TYR . 6.5 m-30 -95.64 150.18 20.64 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 120.67 -0.412 . . . . 0.0 109.9 -177.035 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 9.7 m95 -134.65 176.5 8.58 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.138 -174.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.472 ' HB3' ' H ' ' A' ' 30' ' ' SER . 4.3 m80 -83.6 -152.0 0.12 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.347 -0.842 . . . . 0.0 108.965 168.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.472 ' H ' ' HB3' ' A' ' 29' ' ' HIS . 0.1 OUTLIER -102.8 -54.1 2.71 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.053 0.454 . . . . 0.0 110.33 175.225 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.454 ' HG2' ' O ' ' A' ' 31' ' ' ARG . 1.0 OUTLIER -79.22 -13.62 59.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.576 -178.48 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.868 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 82.9 m -78.36 -16.32 57.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.48 -178.288 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 16.8 tp -85.05 62.45 7.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.748 0.785 . . . . 0.0 109.721 173.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.455 ' CG ' ' HA ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -114.73 155.26 27.0 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.456 -179.66 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.439 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 45.2 t -58.91 140.0 55.92 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 123.402 0.438 . . . . 0.0 110.128 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.2 m -72.57 -5.75 39.3 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.038 0.447 . . . . 0.0 110.446 176.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.52 -41.42 2.82 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.34 -178.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.439 ' HB2' ' HB3' ' A' ' 35' ' ' CYS . 72.3 m -91.86 -30.94 15.9 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -177.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.455 ' HA ' ' CG ' ' A' ' 34' ' ' LYS . 2.2 mp0 63.74 23.81 13.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.49 -173.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -93.86 135.38 35.24 Favored 'General case' 0 N--CA 1.438 -1.051 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.009 175.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.65 114.86 3.52 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.813 -177.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.477 HD11 HD12 ' A' ' 45' ' ' ILE . 0.8 OUTLIER -65.65 -18.2 65.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.943 -172.848 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -91.3 -2.98 70.05 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.109 178.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -95.02 -34.37 12.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.212 0.53 . . . . 0.0 109.896 178.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.477 HD12 HD11 ' A' ' 42' ' ' LEU . 2.7 pt -89.27 55.34 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.335 177.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.91 -131.38 10.46 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -175.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.24 102.91 2.97 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.958 0.409 . . . . 0.0 110.264 172.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -160.37 153.92 22.32 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 178.235 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.433 ' HG ' ' CG1' ' A' ' 105' ' ' ILE . 0.2 OUTLIER -161.44 133.77 5.91 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.501 ' O ' ' HA ' ' A' ' 56' ' ' ILE . 14.3 m-85 -119.53 122.94 42.76 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.857 -176.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.3 103.63 16.07 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.944 0.402 . . . . 0.0 110.932 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.632 ' O ' ' HG2' ' A' ' 55' ' ' MET . 8.5 mmtm -140.14 136.54 33.62 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.482 -179.214 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.9 m 63.42 22.34 13.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.293 -179.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 79.01 5.05 89.04 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.069 -178.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.632 ' HG2' ' O ' ' A' ' 52' ' ' LYS . 4.1 ptt? -121.61 -179.18 4.01 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 178.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.528 HG23 ' O ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -118.09 136.16 56.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.221 0.534 . . . . 0.0 110.945 179.634 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 69.5 mt -122.07 168.45 11.94 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.813 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.696 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 27.6 p -83.94 170.48 13.95 Favored 'General case' 0 N--CA 1.442 -0.833 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 173.015 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.3 tpp85 -69.17 -34.47 74.99 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.182 0.515 . . . . 0.0 109.923 177.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -66.06 -41.47 90.74 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.997 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.696 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 6.4 m-20 -77.86 -32.86 52.24 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.573 -177.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -52.94 -42.29 65.31 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.366 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.424 ' O ' ' HA3' ' A' ' 67' ' ' GLY . 2.1 mm -71.9 -14.0 17.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.023 0.439 . . . . 0.0 111.473 -178.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 64' ' ' ARG . 16.4 mtt180 -87.67 -53.89 4.55 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.306 0.574 . . . . 0.0 109.945 175.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.533 ' HB3' ' CD1' ' A' ' 66' ' ' PHE . 0.2 OUTLIER -71.94 -48.66 43.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.912 -176.106 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.533 ' CD1' ' HB3' ' A' ' 65' ' ' LEU . 93.8 m-85 -126.83 32.53 5.11 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.921 0.391 . . . . 0.0 111.035 -175.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.424 ' HA3' ' O ' ' A' ' 63' ' ' ILE . . . . . . . . 0 N--CA 1.45 -0.384 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.104 179.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.408 ' H ' ' HG3' ' A' ' 102' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.386 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 45.0 43.86 7.61 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.162 0.506 . . . . 0.0 111.553 175.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.6 mt -102.73 -3.47 26.42 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.937 -176.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.678 HG21 HD23 ' A' ' 21' ' ' LEU . 17.6 mt -77.97 93.35 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-O 121.459 0.647 . . . . 0.0 110.971 -179.634 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.676 HG23 ' HD2' ' A' ' 22' ' ' TYR . 97.9 m -101.15 86.68 3.07 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 175.294 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.415 ' HD3' ' O ' ' A' ' 107' ' ' ARG . 0.0 OUTLIER -93.21 143.48 26.22 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.287 -171.15 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.487 ' HB2' ' CE2' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -138.94 103.93 4.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.61 178.741 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 C--N 1.319 -0.747 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.106 178.322 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.409 ' HD3' ' O ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.366 0 CA-C-O 120.754 0.312 . . . . 0.0 110.788 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.59 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -89.65 141.23 28.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.866 -177.933 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.86 7.85 41.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.599 -177.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.892 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -108.91 -69.13 0.64 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.422 -0.894 . . . . 0.0 111.882 178.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.439 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -86.83 -7.83 57.87 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 171.062 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.59 ' HA2' ' O ' ' A' ' 8' ' ' CYS . . . 62.44 59.24 9.66 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 121.301 -0.476 . . . . 0.0 113.223 172.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -132.31 -160.7 9.75 Favored Glycine 0 N--CA 1.428 -1.848 0 C-N-CA 120.5 -0.857 . . . . 0.0 111.314 176.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -101.66 118.5 37.07 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-N 115.078 -0.561 . . . . 0.0 110.385 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -97.9 91.47 2.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.456 178.084 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.66 27.42 3.46 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.54 0.686 . . . . 0.0 109.575 176.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.18 152.16 20.58 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.477 -177.411 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.442 HH11 ' HB2' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -78.87 -33.68 45.58 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.673 0.749 . . . . 0.0 109.306 176.376 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.697 ' HA ' ' HB3' ' A' ' 109' ' ' GLU . 0.6 OUTLIER -88.12 97.26 10.89 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.675 -1.148 . . . . 0.0 109.76 179.299 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.718 ' O ' ' HA ' ' A' ' 108' ' ' LEU . 0.0 OUTLIER -159.27 159.03 33.6 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 120.337 -0.545 . . . . 0.0 111.296 -177.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.09 156.33 19.92 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.173 0.511 . . . . 0.0 111.433 -176.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.456 ' N ' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -132.11 131.61 42.5 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.252 178.363 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -153.19 134.24 14.04 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.899 -0.137 . . . . 0.0 111.046 178.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 69.0 mmm 64.12 35.63 10.22 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 123.574 0.546 . . . . 0.0 111.067 179.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.84 23.55 11.41 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.943 -176.005 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.27 145.17 50.12 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.265 -0.88 . . . . 0.0 108.736 174.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.425 ' CD1' ' HD2' ' A' ' 22' ' ' TYR . 6.5 m-85 -101.77 159.43 15.33 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-O 120.793 0.33 . . . . 0.0 110.447 -175.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.692 ' HE3' ' HB2' ' A' ' 32' ' ' CYS . 18.1 m95 -141.11 166.26 25.26 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.199 -174.197 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.797 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 52.2 m80 -86.73 -126.58 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 170.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.1 m -109.01 -41.1 4.81 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.902 173.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.7 1.32 43.28 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -170.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.892 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 0.0 OUTLIER -78.85 -46.24 19.04 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 122.026 -0.421 . . . . 0.0 111.369 -177.179 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.572 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -93.3 121.63 34.87 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.363 0.601 . . . . 0.0 110.082 178.221 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.504 ' HG3' ' HA ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -165.33 165.96 19.03 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.967 -1.015 . . . . 0.0 108.737 -175.13 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.621 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 43.2 t -61.99 143.0 57.15 Favored 'General case' 0 N--CA 1.443 -0.791 0 O-C-N 123.291 0.37 . . . . 0.0 110.052 178.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.97 -24.33 65.14 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.771 178.389 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.69 -46.25 3.85 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.621 ' HB2' ' HB3' ' A' ' 35' ' ' CYS . 96.9 m -71.1 -39.71 71.95 Favored 'General case' 0 CA--C 1.521 -0.137 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.628 -179.435 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.504 ' HA ' ' HG3' ' A' ' 34' ' ' LYS . 76.0 mm-40 62.29 25.29 15.1 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.707 -178.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' A' ' 34' ' ' LYS . . . -100.73 157.12 16.93 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.823 177.174 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.81 103.55 0.36 Allowed 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.689 -179.092 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.8 mt -70.85 -1.64 12.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.678 -176.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.606 ' HA2' HG22 ' A' ' 47' ' ' THR . . . -109.84 6.71 31.22 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.692 -0.766 . . . . 0.0 111.797 176.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -111.12 -58.8 2.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.035 0.445 . . . . 0.0 111.2 -177.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -82.32 49.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.24 0.543 . . . . 0.0 111.051 -179.095 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 100.6 112.55 3.48 Favored Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -175.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.606 HG22 ' HA2' ' A' ' 43' ' ' GLY . 0.0 OUTLIER -77.99 105.3 9.1 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.299 0.571 . . . . 0.0 111.176 -174.042 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.71 158.72 35.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.348 178.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.539 ' O ' ' HA ' ' A' ' 102' ' ' GLU . 0.1 OUTLIER -149.9 154.88 39.06 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.733 0.301 . . . . 0.0 110.95 -177.553 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.517 ' HE2' ' HA ' ' A' ' 59' ' ' ARG . 5.2 m-85 -137.4 104.89 5.5 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.94 178.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.15 102.55 14.32 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.042 -177.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -155.04 138.8 16.17 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.649 178.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.3 m 62.88 28.35 16.34 Favored 'General case' 0 C--N 1.332 -0.173 0 O-C-N 123.473 0.483 . . . . 0.0 111.438 -178.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.95 18.08 66.17 Favored Glycine 0 C--N 1.332 0.344 0 C-N-CA 120.92 -0.657 . . . . 0.0 111.965 -177.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.529 ' HE3' ' HB2' ' A' ' 55' ' ' MET . 1.2 mtm -115.54 170.35 8.49 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.827 0.346 . . . . 0.0 110.652 -176.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.419 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 0.8 OUTLIER -136.39 116.73 17.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.055 177.554 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.704 HD11 ' HG ' ' A' ' 65' ' ' LEU . 1.1 mt -127.33 168.7 14.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.118 -173.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.663 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 26.2 p -87.76 178.97 6.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.918 175.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.517 ' HA ' ' HE2' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -61.25 -49.54 76.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.804 0.335 . . . . 0.0 110.708 178.722 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -65.43 -44.35 87.63 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.059 -178.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.663 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 0.6 OUTLIER -71.42 -31.84 67.7 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.625 -176.669 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.45 ' HD1' HD12 ' A' ' 63' ' ' ILE . 54.4 t80 -61.17 -38.33 86.11 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.017 0.437 . . . . 0.0 110.142 175.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.502 HG12 ' O ' ' A' ' 59' ' ' ARG . 10.6 mm -68.68 -27.14 34.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.704 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -80.71 -29.63 36.39 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.47 175.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.704 ' HG ' HD11 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -78.31 -53.88 6.82 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.958 -178.064 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -121.95 -43.96 2.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.079 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.399 0 C-N-CA 120.523 -0.846 . . . . 0.0 113.117 177.079 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.539 ' HA ' ' O ' ' A' ' 49' ' ' SER . 0.0 OUTLIER . . . . . 0 C--O 1.234 0.244 0 CA-C-O 120.376 0.132 . . . . 0.0 111.1 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.439 ' H ' ' HB2' ' A' ' 102' ' ' GLU . 0.1 OUTLIER 54.88 43.5 29.86 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.32 0.581 . . . . 0.0 110.346 -178.452 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.508 HD21 ' HA ' ' A' ' 104' ' ' LEU . 0.3 OUTLIER -109.56 -6.22 15.45 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.547 -175.928 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.579 HG23 HG23 ' A' ' 47' ' ' THR . 6.2 mt -84.58 122.11 37.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 120.974 0.416 . . . . 0.0 111.49 -177.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.08 108.52 20.35 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 167.369 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.61 163.25 27.38 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 114.584 1.327 . . . . 0.0 114.584 -163.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.718 ' HA ' ' O ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -63.66 -163.88 0.01 OUTLIER 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 111.373 -2.649 . . . . 0.0 112.877 -177.051 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.697 ' HB3' ' HA ' ' A' ' 19' ' ' PHE . 16.3 pm0 . . . . . 0 C--N 1.317 -0.809 0 CA-C-N 113.85 -1.523 . . . . 0.0 113.845 -166.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.459 ' HD3' ' N ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.376 0 N-CA-C 112.424 0.528 . . . . 0.0 112.424 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.527 ' HB2' HG12 ' A' ' 15' ' ' ILE . 8.1 t -56.75 147.17 23.66 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.412 0.625 . . . . 0.0 111.375 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -116.26 12.09 15.29 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.398 174.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.602 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -103.18 -31.47 5.0 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.447 -0.797 . . . . 0.0 113.13 -176.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.1 p -123.1 -115.26 0.3 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 117.126 0.463 . . . . 0.0 111.789 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -96.28 -53.66 1.45 Allowed Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.885 -0.598 . . . . 0.0 113.19 -175.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -174.26 -105.78 0.19 Allowed Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 119.891 -1.147 . . . . 0.0 113.611 -177.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -55.3 138.05 46.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.299 0.571 . . . . 0.0 111.893 -173.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.527 HG12 ' HB2' ' A' ' 8' ' ' CYS . 8.7 mt -90.89 130.87 39.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.957 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.84 -0.91 53.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.836 -174.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.401 ' HB2' HG21 ' A' ' 15' ' ' ILE . 5.2 m-20 -79.17 156.48 28.2 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 176.331 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.0 ttp-105 -70.33 -31.98 69.51 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 175.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.672 ' HB2' ' HG2' ' A' ' 109' ' ' GLU . 6.2 m-85 -119.41 -153.06 0.52 Allowed 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 114.216 -1.356 . . . . 0.0 108.425 174.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.682 ' HG ' ' HB3' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -158.99 -179.03 7.68 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.215 0.531 . . . . 0.0 112.142 178.183 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.636 HD21 HD13 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -105.2 152.45 22.82 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 170.409 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.464 ' CD2' ' CE1' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -118.09 126.79 52.94 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.42 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -152.41 130.91 12.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 123.179 0.3 . . . . 0.0 111.018 178.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.0 mtt 59.93 38.4 21.06 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.043 -179.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 65.15 8.06 4.55 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.999 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.07 163.73 15.2 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 175.33 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.682 ' HB3' ' HG ' ' A' ' 20' ' ' LEU . 12.5 m-30 -102.54 148.37 25.63 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.352 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 35.7 m95 -136.26 175.19 9.83 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.229 -170.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.692 ' HB2' ' HB2' ' A' ' 32' ' ' CYS . 3.2 m80 -88.11 173.21 8.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.542 -1.208 . . . . 0.0 108.678 168.277 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.57 -45.56 37.06 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.191 0.519 . . . . 0.0 110.061 174.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.538 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 9.0 ttt-85 -83.69 -16.3 45.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.717 -177.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.692 ' HB2' ' HB2' ' A' ' 29' ' ' HIS . 34.6 m -79.76 -20.08 47.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.993 0.425 . . . . 0.0 110.402 178.292 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.636 HD13 HD21 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -88.76 25.22 1.81 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.186 173.864 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.541 ' HD3' ' H ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -67.44 165.88 15.73 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.605 178.072 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.564 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 43.9 t -64.35 138.5 58.46 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.699 174.292 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.7 m -76.86 -4.09 41.94 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.19 0.519 . . . . 0.0 109.877 175.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.2 -43.09 3.25 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.29 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.564 ' HB2' ' HB3' ' A' ' 35' ' ' CYS . 96.2 m -85.52 -31.05 22.94 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.431 0.158 . . . . 0.0 110.95 178.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 63.46 19.87 11.93 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.347 -172.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.52 141.7 33.01 Favored 'General case' 0 N--CA 1.437 -1.108 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.713 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.468 ' HG2' ' HA ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -55.18 109.91 0.6 Allowed 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 114.357 -1.292 . . . . 0.0 111.01 -177.525 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.658 ' O ' HG12 ' A' ' 45' ' ' ILE . 0.3 OUTLIER -76.36 -21.99 55.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.792 -178.435 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.93 -26.55 74.2 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.544 -0.836 . . . . 0.0 111.821 175.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -61.16 -30.0 70.13 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 122.695 0.398 . . . . 0.0 111.521 -179.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.658 HG12 ' O ' ' A' ' 42' ' ' LEU . 8.5 pt -79.34 -10.74 12.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.242 -179.327 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.58 10.47 67.01 Favored Glycine 0 C--N 1.331 0.28 0 CA-C-N 116.025 -0.534 . . . . 0.0 113.429 174.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.452 ' O ' HD12 ' A' ' 105' ' ' ILE . 0.3 OUTLIER -120.85 167.52 12.44 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.449 ' HA ' ' HB ' ' A' ' 105' ' ' ILE . 2.9 m -78.43 152.99 31.86 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.5 0.667 . . . . 0.0 111.828 -177.362 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.534 ' HB3' HD22 ' A' ' 42' ' ' LEU . 2.8 p -97.97 -179.62 4.47 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.543 -176.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.548 ' HE2' ' HD3' ' A' ' 59' ' ' ARG . 15.9 m-85 -120.02 143.85 47.85 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.144 176.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.465 HG21 HD22 ' A' ' 104' ' ' LEU . 0.1 OUTLIER -120.04 114.08 21.47 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.488 -175.431 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.422 ' O ' ' HG2' ' A' ' 55' ' ' MET . 2.2 tttp -155.73 145.41 21.19 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 175.434 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.2 m 65.0 19.87 11.97 Favored 'General case' 0 N--CA 1.464 0.273 0 O-C-N 123.571 0.544 . . . . 0.0 111.207 -177.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 70.42 11.44 68.13 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.123 -178.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.422 ' HG2' ' O ' ' A' ' 52' ' ' LYS . 2.6 ptp -112.67 166.61 11.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.874 0.369 . . . . 0.0 110.307 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.8 mm -104.5 123.69 58.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.074 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -113.18 142.68 45.5 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -177.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.666 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 28.5 p -80.56 165.23 22.29 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 169.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.548 ' HD3' ' HE2' ' A' ' 50' ' ' TYR . 7.6 tpp180 -59.31 -42.57 91.67 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.974 0.416 . . . . 0.0 110.278 -179.217 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.406 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -63.13 -47.98 80.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.883 178.688 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.666 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 17.2 m-20 -73.07 -33.62 65.76 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-O 120.569 0.223 . . . . 0.0 111.444 -175.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -58.41 -37.7 75.88 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.951 177.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 95.0 mt -66.35 -41.32 88.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.397 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 64' ' ' ARG . 10.6 mtp-105 -68.4 -30.54 69.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.997 0.427 . . . . 0.0 110.679 177.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.41 ' HB3' ' CD2' ' A' ' 66' ' ' PHE . 1.1 mm? -84.68 -59.6 2.31 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.739 -174.466 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.41 ' CD2' ' HB3' ' A' ' 65' ' ' LEU . 3.5 m-85 -134.32 -36.83 0.88 Allowed 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -174.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 0.233 0 O-C-N 123.356 0.41 . . . . 0.0 114.0 -173.745 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 121.45 0.643 . . . . 0.0 109.742 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -172.5 29.1 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 -178.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.465 HD22 HG21 ' A' ' 51' ' ' THR . 5.6 tp -101.5 -4.2 27.2 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.755 -1.111 . . . . 0.0 111.582 -172.352 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.623 HG12 HD22 ' A' ' 33' ' ' LEU . 16.1 mt -110.69 89.05 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.822 0.82 . . . . 0.0 110.828 177.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.46 ' O ' ' HD1' ' A' ' 22' ' ' TYR . 21.8 m -95.8 105.83 17.89 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.831 -1.077 . . . . 0.0 108.945 175.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.446 ' HB2' ' HG ' ' A' ' 21' ' ' LEU . 6.9 tpt180 -130.58 116.2 17.81 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.246 0.546 . . . . 0.0 111.551 -174.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.0 159.93 42.98 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.04 171.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.672 ' HG2' ' HB2' ' A' ' 19' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.32 -0.712 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 -176.265 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.52 -0.203 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.446 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 10.7 t -71.25 142.38 50.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.255 0.55 . . . . 0.0 111.762 -176.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -107.16 -0.15 22.96 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.352 172.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.873 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -92.07 -40.65 5.14 Favored Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.212 179.367 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.4 p -120.14 -88.03 0.63 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.718 0.294 . . . . 0.0 110.413 175.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.27 107.1 0.21 Allowed Glycine 0 N--CA 1.444 -0.775 0 N-CA-C 111.675 -0.57 . . . . 0.0 111.675 178.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 156.45 139.97 2.86 Favored Glycine 0 N--CA 1.437 -1.244 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -177.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -60.75 131.91 52.21 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.1 mt -93.74 105.97 17.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.143 0.497 . . . . 0.0 111.75 -172.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -108.39 23.05 15.09 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.892 176.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.08 139.89 50.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.058 -178.105 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -68.9 -41.49 78.2 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 174.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.667 ' HA ' ' HG2' ' A' ' 109' ' ' GLU . 12.0 m-85 -112.3 107.87 16.86 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.008 178.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -143.75 154.07 43.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.399 0.618 . . . . 0.0 111.805 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.46 HD21 HG12 ' A' ' 105' ' ' ILE . 1.1 tt -113.37 148.86 34.96 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.111 -0.95 . . . . 0.0 108.921 177.398 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.624 ' HB2' ' O ' ' A' ' 26' ' ' SER . 27.7 p90 -151.8 157.26 41.71 Favored 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 119.988 -0.685 . . . . 0.0 112.017 179.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.86 160.53 41.27 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.085 -178.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 4.2 mtp 62.45 28.85 17.0 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 123.342 0.401 . . . . 0.0 111.056 177.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 69.93 -0.11 2.85 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.206 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.624 ' O ' ' HB2' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -110.08 157.55 19.22 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 176.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.617 ' HA ' ' CB ' ' A' ' 22' ' ' TYR . 6.7 m-30 -90.33 157.02 17.85 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.025 0.441 . . . . 0.0 110.377 179.133 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.529 ' CE3' ' HA ' ' A' ' 33' ' ' LEU . 61.5 m95 -142.91 173.9 11.14 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.744 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 35.5 m80 -103.19 158.45 16.31 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 164.489 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.74 -44.07 66.19 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -174.388 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.43 -4.51 45.02 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 121.253 -0.179 . . . . 0.0 111.372 179.353 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.873 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 20.1 m -79.64 -35.7 38.98 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 176.109 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.529 ' HA ' ' CE3' ' A' ' 28' ' ' TRP . 31.9 tp -68.32 -70.21 0.28 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 175.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.782 ' HG3' ' HA ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER 50.05 -174.13 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 115.028 -0.987 . . . . 0.0 113.277 172.117 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.601 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 51.5 t -98.34 143.25 29.01 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.002 175.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.7 m -74.53 -7.09 51.95 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.94 0.4 . . . . 0.0 110.404 177.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.493 ' HB2' ' OD2' ' A' ' 61' ' ' ASP . 0.1 OUTLIER -117.7 -43.68 2.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.273 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.601 ' HB2' ' HB3' ' A' ' 35' ' ' CYS . 93.8 m -79.86 -45.67 18.25 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.981 -0.288 . . . . 0.0 110.649 177.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.782 ' HA ' ' HG3' ' A' ' 34' ' ' LYS . 47.8 mt-30 65.71 18.97 11.34 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.068 -177.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.15 -154.54 0.48 Allowed 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.539 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.459 ' HB3' ' HB2' ' A' ' 44' ' ' ASP . 2.2 tp-100 -83.99 97.61 9.36 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.027 0.441 . . . . 0.0 110.244 178.371 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.8 tp -61.99 -25.3 67.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.191 -177.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -92.54 5.1 77.09 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.84 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.459 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . 11.5 t70 -100.51 -12.8 19.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.2 0.524 . . . . 0.0 110.912 -179.113 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -105.14 36.78 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.984 178.181 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 99.58 -144.12 16.85 Favored Glycine 0 N--CA 1.442 -0.946 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 -172.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.46 103.78 4.15 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.099 0.476 . . . . 0.0 110.475 174.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.8 m -159.85 140.83 12.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.93 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.448 ' O ' ' HA ' ' A' ' 102' ' ' GLU . 0.1 OUTLIER -148.76 128.0 12.92 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.61 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.542 ' CE1' ' HA ' ' A' ' 59' ' ' ARG . 14.3 m-85 -109.7 104.14 13.08 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.256 -175.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.483 ' HA ' ' O ' ' A' ' 55' ' ' MET . 90.6 m -87.96 102.49 14.78 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.559 176.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -154.85 132.71 11.5 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.188 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.2 m 67.88 21.62 8.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.87 0.367 . . . . 0.0 110.748 -174.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 75.01 3.72 69.65 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.814 -0.708 . . . . 0.0 111.486 -175.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.483 ' O ' ' HA ' ' A' ' 51' ' ' THR . 19.7 mtm -94.6 164.13 13.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.817 0.341 . . . . 0.0 110.333 -179.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.7 mp -136.95 97.05 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.606 177.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.761 HD22 ' HG ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -111.4 -179.38 3.7 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.009 -175.885 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.505 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 12.5 p -87.35 174.86 8.29 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.871 175.063 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.542 ' HA ' ' CE1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -63.03 -38.0 89.43 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.974 0.416 . . . . 0.0 110.734 179.558 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -75.05 -43.31 54.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.426 -178.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.505 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 62.6 m-20 -70.3 -24.5 63.04 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.129 -177.329 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.524 ' HA ' HD11 ' A' ' 57' ' ' LEU . 60.4 t80 -60.05 -40.65 90.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.235 178.196 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.487 HG21 HD12 ' A' ' 63' ' ' ILE . 3.4 mm -67.83 -31.05 50.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.15 0.5 . . . . 0.0 110.56 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -72.92 -43.25 62.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.152 177.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.761 ' HG ' HD22 ' A' ' 57' ' ' LEU . 1.0 OUTLIER -75.38 -57.7 3.73 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.2 -175.502 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -118.95 -28.27 5.57 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -172.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.44 0 C-N-CA 120.384 -0.912 . . . . 0.0 112.782 179.501 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.483 ' CD ' ' HD2' ' A' ' 103' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.444 -0.774 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.483 ' HD2' ' CD ' ' A' ' 102' ' ' GLU . 3.9 mmm180 49.69 39.08 16.79 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 122.9 0.48 . . . . 0.0 111.301 177.316 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.33 -21.31 13.13 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.027 -178.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.46 HG12 HD21 ' A' ' 21' ' ' LEU . 11.5 mt -64.85 108.15 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.728 0.775 . . . . 0.0 110.321 178.084 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.02 126.0 54.34 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.156 179.016 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -133.23 119.13 19.44 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 120.909 0.385 . . . . 0.0 110.679 -175.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.8 tp -142.48 102.72 4.13 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.895 176.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.667 ' HG2' ' HA ' ' A' ' 19' ' ' PHE . 40.6 mt-10 . . . . . 0 C--N 1.316 -0.861 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.432 -179.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.531 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.203 0 CA-C-O 120.739 0.304 . . . . 0.0 110.491 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.45 ' HB2' HG12 ' A' ' 15' ' ' ILE . 45.0 t -86.25 136.26 33.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.94 -174.421 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -103.36 3.2 34.95 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.917 175.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.658 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -83.01 -47.92 5.63 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.066 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.6 p -103.3 -87.11 0.43 Allowed 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 175.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 168.3 57.33 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.546 -0.835 . . . . 0.0 113.044 177.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -162.32 -150.21 5.91 Favored Glycine 0 N--CA 1.435 -1.378 0 C-N-CA 120.718 -0.753 . . . . 0.0 111.306 176.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -101.28 156.43 17.45 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 115.343 -0.429 . . . . 0.0 110.137 177.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.45 HG12 ' HB2' ' A' ' 8' ' ' CYS . 1.0 OUTLIER -100.75 93.3 2.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 120.907 0.384 . . . . 0.0 110.462 177.032 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.67 27.58 2.29 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.354 0.597 . . . . 0.0 110.104 177.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.89 153.62 17.61 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.727 -177.109 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -76.36 -23.09 54.16 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.584 0.707 . . . . 0.0 109.654 176.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.619 ' HD1' ' HG2' ' A' ' 109' ' ' GLU . 37.2 m-85 -126.09 127.81 46.38 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.719 -179.112 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.618 ' N ' HD12 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -151.3 176.46 11.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.69 0.281 . . . . 0.0 111.123 -178.4 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.533 HD22 ' HA ' ' A' ' 105' ' ' ILE . 0.2 OUTLIER -128.83 151.72 49.28 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.969 0.414 . . . . 0.0 110.872 -178.304 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.632 ' HD2' ' CD1' ' A' ' 27' ' ' TYR . 1.1 m-85 -123.25 128.77 50.45 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 175.174 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -153.11 127.8 9.45 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.941 -0.304 . . . . 0.0 111.672 -177.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 62.22 43.59 8.37 Favored 'General case' 0 N--CA 1.466 0.359 0 O-C-N 123.644 0.59 . . . . 0.0 111.858 176.283 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 62.27 19.73 11.23 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.087 0.47 . . . . 0.0 111.072 -179.303 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.7 155.97 45.72 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 177.015 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.632 ' CD1' ' HD2' ' A' ' 22' ' ' TYR . 7.4 m-85 -109.45 153.07 24.55 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 -178.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.429 ' CD2' HD22 ' A' ' 33' ' ' LEU . 19.8 m95 -140.39 164.36 30.31 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.573 -173.118 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.576 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 10.0 m80 -83.33 166.41 18.49 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.097 169.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.82 -42.4 97.62 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.954 0.407 . . . . 0.0 110.425 175.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.445 ' HG2' ' OE1' ' A' ' 41' ' ' GLN . 0.3 OUTLIER -85.58 -19.91 30.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.595 -179.895 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.658 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 66.1 m -79.66 -21.37 44.87 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.329 -178.398 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.49 ' HG ' HD23 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -82.91 80.99 8.8 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.603 0.716 . . . . 0.0 109.664 173.398 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.629 ' HG3' ' HA ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -137.01 165.76 25.25 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.132 -176.374 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 50.3 t -62.27 146.49 50.81 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.619 179.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.02 -19.93 61.1 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.837 177.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.44 -46.83 3.76 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -178.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 59.3 m -86.17 -29.81 22.95 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -174.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.629 ' HA ' ' HG3' ' A' ' 34' ' ' LYS . 4.8 mp0 66.26 25.19 10.58 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 -168.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -85.49 132.08 34.26 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.687 179.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.492 ' HB3' ' HB3' ' A' ' 44' ' ' ASP . 1.6 tp60 -64.59 105.12 0.9 Allowed 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 114.71 -1.132 . . . . 0.0 110.75 -174.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.913 HD23 ' HA ' ' A' ' 58' ' ' CYS . 18.0 mt -67.08 -22.42 65.84 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.054 -177.366 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -91.91 7.0 79.43 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.207 177.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.492 ' HB3' ' HB3' ' A' ' 41' ' ' GLN . 24.3 t70 -113.7 -32.07 6.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.577 0.227 . . . . 0.0 110.716 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.0 pt -84.27 54.03 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.763 0.792 . . . . 0.0 110.122 175.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 87.83 -130.92 10.33 Favored Glycine 0 N--CA 1.441 -0.98 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.9 -174.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.0 m -143.04 102.1 3.94 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 174.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.6 m -161.61 158.21 25.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.821 0.344 . . . . 0.0 110.66 177.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.536 ' OG ' HG12 ' A' ' 105' ' ' ILE . 0.1 OUTLIER -166.29 138.99 3.91 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 175.417 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.415 ' O ' ' HA ' ' A' ' 56' ' ' ILE . 12.0 m-85 -118.76 117.13 28.07 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.803 -172.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.57 102.06 13.78 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.277 179.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -156.72 142.81 18.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.6 175.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.5 m 63.71 25.44 14.2 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 123.667 0.604 . . . . 0.0 111.573 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 69.94 13.02 68.99 Favored Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 111.856 -0.498 . . . . 0.0 111.856 -177.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 2.6 mtm -114.94 172.65 6.92 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.837 0.351 . . . . 0.0 110.567 -176.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.52 HG21 HD13 ' A' ' 56' ' ' ILE . 1.1 mm -126.27 92.5 2.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.531 -0.758 . . . . 0.0 109.508 176.084 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -85.93 161.84 18.84 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.061 0.458 . . . . 0.0 110.922 -176.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.913 ' HA ' HD23 ' A' ' 42' ' ' LEU . 6.0 p -80.73 -175.13 5.12 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.535 174.244 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.404 ' HD2' ' HE2' ' A' ' 50' ' ' TYR . 0.5 OUTLIER -84.1 3.28 35.45 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.004 0.43 . . . . 0.0 110.163 174.677 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -104.55 -49.04 3.64 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.238 0.542 . . . . 0.0 110.197 177.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.425 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 40.3 m-20 -69.48 -44.23 71.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.096 -177.426 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -53.57 -46.01 70.14 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.748 -175.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.438 ' HA ' ' CA ' ' A' ' 67' ' ' GLY . 0.6 OUTLIER -73.17 -21.39 19.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.28 -176.467 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 64' ' ' ARG . 13.2 mtt180 -86.2 -25.03 25.86 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.074 0.464 . . . . 0.0 109.917 176.251 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.2 -61.87 1.82 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.696 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.55 -44.92 1.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.626 -178.49 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.438 ' CA ' ' HA ' ' A' ' 63' ' ' ILE . . . . . . . . 0 CA--C 1.521 0.411 0 CA-C-N 115.89 -0.595 . . . . 0.0 113.828 177.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.409 ' HB2' ' H ' ' A' ' 103' ' ' ARG . 1.7 pp20? . . . . . 0 CA--C 1.532 0.257 0 CA-C-O 120.562 0.22 . . . . 0.0 110.521 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.409 ' H ' ' HB2' ' A' ' 102' ' ' GLU . 0.0 OUTLIER 46.58 46.76 14.58 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.652 -0.704 . . . . 0.0 112.728 174.693 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 19.7 tp -83.4 -0.28 49.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.584 0.707 . . . . 0.0 109.313 174.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.536 HG12 ' OG ' ' A' ' 49' ' ' SER . 0.8 OUTLIER -76.09 98.34 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.686 -179.305 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.2 m -103.61 121.82 43.72 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 171.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.32 139.28 44.19 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.383 0.611 . . . . 0.0 111.47 -173.469 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.21 103.93 3.9 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.0 177.111 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.619 ' HG2' ' HD1' ' A' ' 19' ' ' PHE . 2.5 mt-10 . . . . . 0 C--N 1.323 -0.586 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.349 -176.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.501 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.775 0.321 . . . . 0.0 110.228 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.442 ' SG ' ' HA ' ' A' ' 28' ' ' TRP . 12.7 t -85.95 151.16 23.97 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.387 -176.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -115.35 2.03 13.87 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.1 -0.954 . . . . 0.0 109.373 173.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.891 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -92.68 -50.81 2.44 Favored Glycine 0 N--CA 1.448 -0.565 0 CA-C-N 115.472 -0.785 . . . . 0.0 112.037 -179.409 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.6 p -98.37 -23.63 15.53 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.012 175.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.35 4.69 54.93 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.36 -0.836 . . . . 0.0 113.539 173.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.91 -150.74 17.49 Favored Glycine 0 N--CA 1.434 -1.453 0 C-N-CA 120.0 -1.095 . . . . 0.0 113.046 -178.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -102.63 142.34 33.96 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 114.63 -0.785 . . . . 0.0 110.55 -179.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.408 HG12 ' HB2' ' A' ' 8' ' ' CYS . 2.6 mt -101.3 95.43 3.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.724 0.297 . . . . 0.0 111.206 177.19 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -105.49 6.95 32.8 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.608 0.718 . . . . 0.0 109.227 173.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -80.42 150.95 29.59 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.84 -1.073 . . . . 0.0 110.302 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.5 tpm_? -67.75 -26.28 66.05 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.31 0.576 . . . . 0.0 111.207 -178.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -106.49 112.09 24.94 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.401 -175.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.25 170.4 16.35 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.142 0.496 . . . . 0.0 111.073 -177.12 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.84 151.51 51.63 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.035 177.269 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.541 ' HD2' ' CD1' ' A' ' 27' ' ' TYR . 0.3 OUTLIER -123.22 118.08 26.79 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 173.611 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.505 ' HA ' ' O ' ' A' ' 104' ' ' LEU . . . -149.56 147.29 27.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.811 0.339 . . . . 0.0 111.666 -176.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.531 ' HB3' ' HE3' ' A' ' 24' ' ' MET . 1.5 mtp 54.82 39.02 31.22 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.267 176.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 64.58 30.73 12.64 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.249 0.547 . . . . 0.0 110.795 178.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -149.04 168.95 21.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.576 177.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.541 ' CD1' ' HD2' ' A' ' 22' ' ' TYR . 7.2 m-85 -110.34 149.82 29.66 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 178.389 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.461 ' CD2' HD21 ' A' ' 33' ' ' LEU . 18.7 m95 -144.9 178.15 8.23 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.749 -172.211 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.712 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 23.7 m80 -100.62 173.94 6.3 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 168.097 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.41 -46.28 90.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.677 0.275 . . . . 0.0 111.418 -178.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.1 ttp85 -94.58 -9.08 36.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.292 -179.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.891 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 68.4 m -78.93 -31.89 45.37 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 177.07 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.461 HD21 ' CD2' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -80.82 74.67 7.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.482 174.484 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.415 ' H ' ' HG3' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -111.69 161.09 16.64 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.885 -179.899 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.735 ' HB3' ' H ' ' A' ' 39' ' ' GLN . 5.9 t -64.03 164.43 10.6 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.749 -178.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.5 m -92.28 -15.08 27.9 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.589 175.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.489 ' HB2' ' OD2' ' A' ' 61' ' ' ASP . 2.9 m -108.42 -72.11 0.73 Allowed 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 121.015 -0.274 . . . . 0.0 111.322 179.444 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.604 ' SG ' ' HB3' ' A' ' 40' ' ' ALA . 18.5 p -80.42 -22.15 41.47 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -174.528 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.735 ' H ' ' HB3' ' A' ' 35' ' ' CYS . 1.4 mp0 65.07 19.15 11.75 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.367 0.667 . . . . 0.0 111.818 -177.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.604 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . . . -69.53 124.65 24.46 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-O 121.108 0.48 . . . . 0.0 109.894 177.068 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -51.39 103.67 0.06 Allowed 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 114.355 -1.293 . . . . 0.0 110.816 -176.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.53 HD23 ' HA ' ' A' ' 58' ' ' CYS . 2.1 mt -70.48 -20.2 62.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.966 -175.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.2 -33.42 49.41 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.355 -0.926 . . . . 0.0 111.762 176.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -76.79 -25.87 53.83 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -178.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.496 HG12 ' HA ' ' A' ' 42' ' ' LEU . 32.2 pt -79.7 -17.3 12.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.949 -179.237 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 62.5 45.9 94.92 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.535 176.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.534 ' O ' HD11 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -141.05 179.83 6.51 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.86 162.06 13.91 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.864 0.364 . . . . 0.0 111.351 -177.051 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.4 p -110.61 -174.76 2.55 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.423 175.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.53 ' HB2' ' HE3' ' A' ' 52' ' ' LYS . 34.5 m-85 -127.28 155.07 44.09 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 178.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.27 110.79 22.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.037 0.446 . . . . 0.0 111.697 178.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.782 ' HE2' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -156.73 134.01 10.58 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.663 174.569 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 m 60.03 11.7 2.8 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 123.667 0.605 . . . . 0.0 112.302 178.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 68.24 8.32 54.45 Favored Glycine 0 CA--C 1.52 0.402 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.437 -174.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.7 ttm -100.25 100.72 11.58 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 122.825 0.45 . . . . 0.0 110.517 -176.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 37.8 mt -63.12 121.02 11.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.248 -177.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.782 HD11 ' HE2' ' A' ' 52' ' ' LYS . 45.0 mt -125.54 157.87 35.99 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.0 178.197 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.605 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 10.0 p -79.02 173.56 12.45 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 174.61 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.473 ' HD3' ' OE2' ' A' ' 102' ' ' GLU . 0.3 OUTLIER -69.43 -15.67 63.33 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.01 0.433 . . . . 0.0 110.309 176.542 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -90.33 -49.61 6.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.801 179.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.605 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 17.8 m-20 -69.0 -26.25 64.92 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.728 -178.438 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.477 ' HD2' HD12 ' A' ' 63' ' ' ILE . 79.2 t80 -58.26 -40.59 82.22 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.018 175.06 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.477 HD12 ' HD2' ' A' ' 62' ' ' TYR . 10.4 mm -72.71 -25.75 22.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.705 179.34 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.447 ' HG3' ' HA ' ' A' ' 61' ' ' ASP . 6.5 mtt-85 -71.43 -40.83 70.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.943 178.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 33.5 mt -96.62 -49.74 4.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.144 -0.48 . . . . 0.0 112.284 -174.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.614 ' CZ ' ' HG3' ' A' ' 52' ' ' LYS . 16.3 m-85 -100.89 -41.56 6.79 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.851 0.358 . . . . 0.0 110.988 -174.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.606 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.862 178.409 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.473 ' OE2' ' HD3' ' A' ' 59' ' ' ARG . 2.1 mt-10 . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.556 0.217 . . . . 0.0 110.828 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 57.77 29.01 16.76 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.624 0.726 . . . . 0.0 109.94 -176.701 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.505 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 12.2 tp -84.08 -7.11 59.47 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.835 -1.075 . . . . 0.0 111.265 -175.011 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.534 HD11 ' O ' ' A' ' 47' ' ' THR . 15.5 mt -113.85 110.28 31.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.324 0.583 . . . . 0.0 110.842 -178.551 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.475 ' HB ' ' HD1' ' A' ' 22' ' ' TYR . 18.7 m -107.77 118.28 36.33 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.073 177.539 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.16 121.22 44.32 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.035 0.445 . . . . 0.0 111.606 -172.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.495 HD22 ' HA ' ' A' ' 108' ' ' LEU . 0.4 OUTLIER -103.52 108.86 20.29 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.602 173.702 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.322 -0.6 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.506 -177.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.407 ' NH2' ' HA ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 121.036 0.446 . . . . 0.0 110.743 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 27.2 t -63.01 130.35 44.32 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.643 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.407 ' HA ' ' NH2' ' A' ' 7' ' ' ARG . . . -88.06 -1.16 57.83 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.258 178.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.805 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -87.09 -54.42 2.6 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.217 179.573 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.6 p -105.09 -44.04 4.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.928 0.395 . . . . 0.0 110.693 178.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 110.19 106.45 2.98 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.705 -0.759 . . . . 0.0 111.995 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 153.93 149.76 5.3 Favored Glycine 0 N--CA 1.432 -1.597 0 C-N-CA 120.892 -0.67 . . . . 0.0 111.711 -178.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt -67.26 98.6 0.63 Allowed 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.407 HG23 HD21 ' A' ' 20' ' ' LEU . 4.1 mt -51.32 -72.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.015 -0.993 . . . . 0.0 112.07 -172.645 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 60.15 18.58 7.93 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.136 0.493 . . . . 0.0 111.78 -179.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -85.63 162.32 18.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.167 179.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.618 ' C ' ' HB2' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -83.78 8.13 15.67 Favored 'General case' 0 C--O 1.214 -0.768 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.131 177.044 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.645 ' HD1' ' HB2' ' A' ' 108' ' ' LEU . 6.7 m-85 -153.22 111.94 3.72 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 122.016 -0.428 . . . . 0.0 110.901 175.57 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.785 ' O ' ' HA ' ' A' ' 108' ' ' LEU . 1.9 pp -155.51 145.97 21.96 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.881 178.372 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.571 HD23 HG12 ' A' ' 105' ' ' ILE . 0.3 OUTLIER -92.89 142.38 27.38 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.985 -179.888 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.611 ' HD2' ' CD1' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -113.23 127.59 56.21 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 171.65 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -150.18 135.69 18.19 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 121.252 -0.179 . . . . 0.0 111.043 -177.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 1.5 mmm 62.49 31.82 16.88 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.65 -178.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 61.69 13.54 5.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.835 -177.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.61 152.9 25.91 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 171.513 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.611 ' CD1' ' HD2' ' A' ' 22' ' ' TYR . 9.7 m-30 -102.71 140.01 37.55 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 -176.213 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.425 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 42.2 m95 -138.84 -178.71 5.44 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.403 -171.07 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.61 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 14.1 m80 -100.34 163.03 12.57 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 165.154 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.65 -43.45 89.79 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.952 0.406 . . . . 0.0 111.01 179.545 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.1 ttm-85 -95.12 -3.9 47.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.767 -178.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.805 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 17.2 m -84.36 -38.5 20.23 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.766 178.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.5 ' C ' ' HG3' ' A' ' 34' ' ' LYS . 14.9 tp -63.75 -55.61 21.9 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 175.311 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.5 ' HG3' ' C ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER 42.13 -178.69 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 172.225 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.443 ' O ' ' HD2' ' A' ' 34' ' ' LYS . 3.4 m -83.93 169.78 14.69 Favored 'General case' 0 N--CA 1.431 -1.402 0 CA-C-N 112.43 -2.168 . . . . 0.0 111.103 -172.223 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.511 ' OG ' HD23 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -90.2 -49.12 6.74 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.608 174.854 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.83 -51.22 2.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.88 -177.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -34.95 79.17 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -176.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.425 ' H ' ' CB ' ' A' ' 35' ' ' CYS . 2.3 mp0 63.97 40.19 7.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.836 -177.459 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -98.69 -161.67 0.89 Allowed 'General case' 0 N--CA 1.441 -0.908 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 174.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.651 ' HB3' ' HB2' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -100.88 121.58 41.97 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.09 177.43 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.551 HD21 ' HB3' ' A' ' 58' ' ' CYS . 0.0 OUTLIER -62.85 -33.18 74.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.034 -174.417 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -95.92 -2.29 61.13 Favored Glycine 0 C--N 1.329 0.17 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.703 -178.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.651 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . 25.8 t0 -85.29 -27.3 26.06 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.349 0.595 . . . . 0.0 110.314 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.5 pt -87.73 3.11 5.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.779 178.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 123.25 -168.47 15.45 Favored Glycine 0 N--CA 1.445 -0.709 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 -176.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.403 HG22 ' HB ' ' A' ' 105' ' ' ILE . 0.2 OUTLIER -97.99 101.28 12.72 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 117.462 0.631 . . . . 0.0 109.766 176.145 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.425 ' O ' HD13 ' A' ' 105' ' ' ILE . 4.2 m -161.39 140.98 10.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.764 0.316 . . . . 0.0 111.534 -179.061 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.48 132.29 4.51 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.059 177.095 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.5 ' CE2' ' HG3' ' A' ' 102' ' ' GLU . 21.0 m-85 -112.27 128.49 56.28 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -112.19 101.63 9.86 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.889 0.376 . . . . 0.0 110.608 177.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -142.97 140.89 31.26 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 25.1 m 64.52 23.93 12.99 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 123.462 0.476 . . . . 0.0 111.331 -178.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 69.27 16.5 71.23 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.776 -0.725 . . . . 0.0 111.683 -175.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -103.57 167.13 9.99 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.779 0.323 . . . . 0.0 110.447 -177.506 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.6 mp -124.07 112.75 33.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.44 175.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.638 ' HB3' ' HB3' ' A' ' 61' ' ' ASP . 0.1 OUTLIER -126.36 148.39 49.59 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.171 -174.402 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.551 ' HB3' HD21 ' A' ' 42' ' ' LEU . 16.6 p -77.93 -173.85 3.3 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 171.432 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.428 ' HD3' ' OE1' ' A' ' 102' ' ' GLU . 10.5 tpt180 -71.79 -28.92 63.93 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.674 0.273 . . . . 0.0 110.744 177.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.405 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . 38.3 t30 -77.99 -42.42 32.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.928 0.394 . . . . 0.0 110.453 176.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.638 ' HB3' ' HB3' ' A' ' 57' ' ' LEU . 2.5 m-20 -59.7 -39.36 84.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.595 179.176 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -57.67 -42.41 83.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.353 179.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.524 ' HA ' ' HA3' ' A' ' 67' ' ' GLY . 30.3 mm -72.33 -28.06 27.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.253 0.549 . . . . 0.0 110.782 179.146 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -70.24 -41.41 73.58 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.805 177.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.0 mp -90.21 -57.34 2.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.888 -175.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -118.28 31.87 6.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.755 0.312 . . . . 0.0 111.243 -176.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.524 ' HA3' ' HA ' ' A' ' 63' ' ' ILE . . . . . . . . 0 N--CA 1.445 -0.757 0 C-N-CA 120.389 -0.91 . . . . 0.0 112.19 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.5 ' HG3' ' CE2' ' A' ' 50' ' ' TYR . 1.9 tt0 . . . . . 0 N--CA 1.451 -0.409 0 CA-C-O 120.583 0.23 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.426 ' HD3' ' HB3' ' A' ' 102' ' ' GLU . 0.0 OUTLIER 52.85 44.72 29.97 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.274 -0.875 . . . . 0.0 112.552 173.018 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.8 mt -96.03 8.39 43.85 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.271 0.558 . . . . 0.0 110.073 177.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.571 HG12 HD23 ' A' ' 21' ' ' LEU . 10.5 mt -86.69 126.8 40.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.3 -177.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.443 ' HB ' ' HB2' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -100.45 126.79 46.88 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 169.707 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.402 ' H ' ' HG3' ' A' ' 107' ' ' ARG . 0.0 OUTLIER -64.4 163.41 13.24 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -171.198 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.785 ' HA ' ' O ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -63.33 -174.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.241 -1.345 . . . . 0.0 111.991 -178.006 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.618 ' HB2' ' C ' ' A' ' 18' ' ' ARG . 5.9 mm-40 . . . . . 0 N--CA 1.449 -0.501 0 CA-C-O 121.689 0.757 . . . . 0.0 111.925 -173.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.413 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.447 -0.583 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.1 t -79.7 149.14 31.3 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.426 -176.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -112.26 -0.05 15.6 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.558 173.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.58 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -92.14 -59.2 1.32 Allowed Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.03 179.095 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.3 p -93.79 -34.07 13.33 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 174.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 109.7 -3.57 30.65 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.545 -0.836 . . . . 0.0 113.616 171.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.92 -155.68 21.68 Favored Glycine 0 N--CA 1.432 -1.595 0 C-N-CA 120.012 -1.09 . . . . 0.0 112.366 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.47 149.47 24.81 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-N 115.003 -0.598 . . . . 0.0 110.159 176.449 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.712 HD12 HD12 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -100.25 105.16 17.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.178 0.513 . . . . 0.0 111.086 -179.733 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -115.18 13.76 16.84 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.612 0.72 . . . . 0.0 109.283 175.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.3 173.0 13.02 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.828 -1.078 . . . . 0.0 110.092 178.17 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.1 ttm-85 -91.08 -31.09 16.39 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.384 0.612 . . . . 0.0 109.677 178.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -100.99 113.28 26.12 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.942 179.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.712 HD12 HD12 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -141.41 159.97 41.12 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.884 0.373 . . . . 0.0 110.683 -178.733 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.529 HD21 HD23 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -123.51 146.43 48.09 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.962 -179.462 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.465 ' HD1' ' CD1' ' A' ' 27' ' ' TYR . 1.7 m-85 -112.75 117.68 32.89 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 173.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.476 ' HB2' HD12 ' A' ' 104' ' ' LEU . . . -146.52 131.16 17.85 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.908 -0.133 . . . . 0.0 110.937 -176.33 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.496 ' HG3' HD13 ' A' ' 104' ' ' LEU . 9.9 mtm 64.38 29.7 13.45 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 123.622 0.576 . . . . 0.0 110.917 -179.096 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 64.61 15.61 9.8 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.976 -176.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.18 167.75 11.53 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 173.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.465 ' CD1' ' HD1' ' A' ' 22' ' ' TYR . 11.1 m-85 -111.3 151.31 28.52 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.533 -178.556 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 29.7 m95 -142.81 171.73 13.65 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.922 -173.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.657 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 27.4 m80 -96.59 163.3 13.08 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 168.673 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.13 -45.61 83.37 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -175.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.453 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.7 OUTLIER -99.0 -0.79 41.32 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 121.102 -0.239 . . . . 0.0 111.166 -179.685 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.657 ' SG ' ' HB2' ' A' ' 29' ' ' HIS . 22.2 m -79.3 -30.39 42.86 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 174.453 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.615 ' O ' ' HB2' ' A' ' 42' ' ' LEU . 8.9 tp -86.32 61.19 6.68 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.377 -0.829 . . . . 0.0 108.795 169.414 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.453 ' HB3' ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -92.87 157.98 16.09 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.948 -178.229 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.467 ' SG ' ' HA ' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -75.43 -176.19 3.08 Favored 'General case' 0 N--CA 1.438 -1.029 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.271 -178.763 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -106.51 -45.76 4.17 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.902 -179.146 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.461 ' HG ' ' CG ' ' A' ' 61' ' ' ASP . 45.5 p -103.44 -40.85 6.19 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.744 -177.343 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.425 ' SG ' ' HB2' ' A' ' 40' ' ' ALA . 0.6 OUTLIER -86.78 -21.12 26.7 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 119.983 -0.687 . . . . 0.0 109.514 176.871 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 45.33 42.86 7.78 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 114.753 -1.112 . . . . 0.0 111.758 174.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.425 ' HB2' ' SG ' ' A' ' 38' ' ' CYS . . . -89.69 169.17 11.53 Favored 'General case' 0 N--CA 1.428 -1.535 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.364 177.284 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -78.36 87.59 4.39 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-N 114.779 -1.1 . . . . 0.0 109.364 176.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.615 ' HB2' ' O ' ' A' ' 33' ' ' LEU . 6.0 mt -59.51 -27.8 66.48 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.368 -176.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.55 -0.35 67.28 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.701 -0.681 . . . . 0.0 113.427 179.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.63 -29.93 14.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.03 0.443 . . . . 0.0 110.578 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 7.7 pt -93.98 -33.81 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.464 -177.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.723 ' HA2' HG21 ' A' ' 105' ' ' ILE . . . 70.54 21.71 77.71 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.857 178.291 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.493 ' O ' HD11 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -91.09 -167.58 1.85 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.815 0.341 . . . . 0.0 111.122 -179.114 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.74 134.24 39.23 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.736 -173.657 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.472 ' HG ' ' CG1' ' A' ' 105' ' ' ILE . 2.1 p -129.9 152.34 49.47 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.204 176.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.422 ' HH ' ' HG2' ' A' ' 102' ' ' GLU . 31.7 m-85 -124.3 155.28 38.95 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.628 0.251 . . . . 0.0 110.629 -176.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.1 m -118.67 111.71 18.87 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.622 -175.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -153.71 143.32 21.74 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.748 176.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 71.9 m 67.14 21.26 10.12 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.555 0.534 . . . . 0.0 111.441 -176.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 69.99 17.54 73.71 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.815 -0.707 . . . . 0.0 111.491 -176.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.01 164.97 13.91 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.842 0.353 . . . . 0.0 110.597 -176.447 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 44.2 mm -117.11 128.89 74.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.611 178.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.822 ' HB3' ' HB3' ' A' ' 61' ' ' ASP . 0.7 OUTLIER -138.41 145.08 40.56 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 -175.12 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.565 ' HB3' HD23 ' A' ' 42' ' ' LEU . 30.4 p -76.82 174.91 9.96 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 173.224 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.488 ' O ' HG12 ' A' ' 63' ' ' ILE . 4.0 tpp85 -58.59 -40.01 81.96 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.963 0.411 . . . . 0.0 110.539 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -66.28 -42.71 88.06 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.949 177.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.822 ' HB3' ' HB3' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -62.06 -41.92 98.65 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.937 177.504 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -54.9 -52.16 63.77 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.571 -176.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.488 HG12 ' O ' ' A' ' 59' ' ' ARG . 2.1 mm -68.48 -29.66 44.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.027 0.442 . . . . 0.0 110.914 -179.262 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -69.85 -41.09 75.35 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.73 178.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.453 ' HA ' HD12 ' A' ' 65' ' ' LEU . 0.4 OUTLIER -86.0 -57.93 2.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.147 -173.916 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.541 ' HE2' HD11 ' A' ' 57' ' ' LEU . 3.5 m-85 -122.2 19.48 10.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.669 -0.241 . . . . 0.0 111.186 -174.451 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.274 0 C-N-CA 121.278 -0.487 . . . . 0.0 113.137 -178.174 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.422 ' HG2' ' HH ' ' A' ' 50' ' ' TYR . 1.2 mm-40 . . . . . 0 C--O 1.235 0.312 0 CA-C-O 120.67 0.271 . . . . 0.0 111.192 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.48 71.02 0.54 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.05 178.476 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.513 ' HA ' HD22 ' A' ' 104' ' ' LEU . 0.1 OUTLIER -113.53 -41.9 3.55 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.886 -179.825 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.723 HG21 ' HA2' ' A' ' 46' ' ' GLY . 54.2 mt -85.36 120.44 35.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.238 0.542 . . . . 0.0 111.639 -177.474 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 81.5 m -126.0 101.54 6.85 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 171.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.37 153.99 30.01 Favored 'General case' 0 C--N 1.318 -0.784 0 O-C-N 121.721 -0.612 . . . . 0.0 111.381 -170.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.44 104.14 3.89 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.513 176.29 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 . . . . . 0 C--N 1.321 -0.654 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.51 -175.909 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.512 -0.513 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 53.9 t -75.59 134.53 40.66 Favored 'General case' 0 N--CA 1.439 -1.016 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.579 175.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -92.98 0.93 57.51 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.965 176.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.812 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -94.58 -56.57 1.33 Allowed Glycine 0 N--CA 1.444 -0.807 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.553 -179.18 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.1 p -103.88 -24.96 13.23 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.823 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 88.09 109.0 1.01 Allowed Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.581 -179.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 154.94 143.37 3.65 Favored Glycine 0 N--CA 1.434 -1.446 0 C-N-CA 120.716 -0.754 . . . . 0.0 111.813 -177.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.57 122.71 15.36 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.339 -0.431 . . . . 0.0 110.057 177.594 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.612 HG21 ' HB3' ' A' ' 20' ' ' LEU . 1.7 mt -89.77 -94.96 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 111.776 0.288 . . . . 0.0 111.776 -174.189 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.483 ' H ' ' HB ' ' A' ' 15' ' ' ILE . . . 60.05 30.67 20.13 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.212 0.53 . . . . 0.0 110.391 -174.055 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.68 166.16 22.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.111 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -71.16 -31.39 67.63 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 174.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -119.31 95.97 5.02 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.601 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.612 ' HB3' HG21 ' A' ' 15' ' ' ILE . 0.2 OUTLIER -133.33 176.43 8.53 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.231 0.538 . . . . 0.0 110.603 176.738 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.588 HD11 ' HG2' ' A' ' 107' ' ' ARG . 0.2 OUTLIER -129.63 162.05 29.17 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.227 177.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.585 ' HD1' ' HB ' ' A' ' 106' ' ' THR . 0.4 OUTLIER -135.09 134.8 40.68 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 174.124 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.495 ' HB1' ' CD1' ' A' ' 28' ' ' TRP . . . -149.43 108.26 3.86 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.302 -176.493 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.14 59.98 2.21 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.673 -179.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 71.58 -33.56 0.27 Allowed 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 178.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.46 148.65 24.86 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.687 0.279 . . . . 0.0 110.496 -179.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.558 ' CD1' ' HD2' ' A' ' 22' ' ' TYR . 8.9 m-30 -96.84 162.05 13.59 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.915 0.388 . . . . 0.0 110.407 -178.017 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.495 ' CD1' ' HB1' ' A' ' 23' ' ' ALA . 70.2 m95 -146.82 178.25 8.47 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.697 -176.28 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.667 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 24.5 m80 -101.85 162.72 12.69 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 164.016 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.477 ' HA ' HD12 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -72.15 -18.46 61.88 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.221 -0.591 . . . . 0.0 110.691 -179.079 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -94.9 -27.72 15.56 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.367 175.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.812 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 58.8 m -78.49 -16.58 57.35 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.093 0.473 . . . . 0.0 109.929 176.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.482 ' HG ' HD21 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -75.41 77.39 2.47 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 167.781 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.72 162.44 26.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.155 -166.425 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.658 ' HB3' ' H ' ' A' ' 39' ' ' GLN . 0.3 OUTLIER -75.51 166.34 23.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.597 176.739 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.424 ' OG ' HG12 ' A' ' 56' ' ' ILE . 1.5 m -99.4 7.17 45.74 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 166.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.479 ' HB2' ' OD2' ' A' ' 61' ' ' ASP . 0.3 OUTLIER -121.9 -77.05 0.58 Allowed 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.997 -176.265 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 22.7 p -79.42 -26.25 41.89 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.731 0.301 . . . . 0.0 110.933 -178.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.658 ' H ' ' HB3' ' A' ' 35' ' ' CYS . 59.0 mt-30 55.03 39.44 31.59 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.245 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -84.45 -154.36 0.17 Allowed 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.785 177.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.968 ' HG2' ' HB2' ' A' ' 44' ' ' ASP . 0.8 OUTLIER -94.73 87.28 4.99 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 121.202 0.525 . . . . 0.0 109.842 176.736 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.509 HD11 ' HB3' ' A' ' 58' ' ' CYS . 5.0 mp -79.36 -6.73 57.44 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.202 -178.373 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -105.74 38.54 3.25 Favored Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.093 177.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.968 ' HB2' ' HG2' ' A' ' 41' ' ' GLN . 0.3 OUTLIER -152.38 48.33 0.75 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.531 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -135.22 9.79 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.495 -173.112 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 102.05 -122.81 7.67 Favored Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 -173.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.433 ' HA ' ' HB ' ' A' ' 105' ' ' ILE . 1.4 t -144.47 99.32 3.34 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.834 0.826 . . . . 0.0 111.183 170.222 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.469 ' HA ' ' O ' ' A' ' 103' ' ' ARG . 0.0 OUTLIER -166.16 113.86 0.91 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.426 170.675 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.8 p -107.81 177.76 4.72 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 178.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.6 ' HE2' ' HA ' ' A' ' 59' ' ' ARG . 2.5 m-85 -133.0 101.42 5.22 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.533 177.05 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.82 102.57 15.27 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.437 178.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.8 tptt -149.73 126.02 10.77 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 121.251 -0.18 . . . . 0.0 111.066 -178.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 58.6 m 61.97 13.09 5.33 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 174.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 69.81 25.82 75.12 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 119.687 -1.244 . . . . 0.0 110.459 -172.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.464 ' HE1' ' HB2' ' A' ' 55' ' ' MET . 0.0 OUTLIER -119.09 138.88 52.58 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.424 HG12 ' OG ' ' A' ' 36' ' ' SER . 0.1 OUTLIER -92.53 125.13 45.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.299 179.631 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -135.21 151.31 50.5 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.636 179.657 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.647 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 9.8 p -89.08 -175.77 4.92 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 171.241 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.6 ' HA ' ' HE2' ' A' ' 50' ' ' TYR . 9.7 tpt180 -63.36 -46.51 86.23 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.694 -0.402 . . . . 0.0 109.926 177.708 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.79 -46.74 80.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.246 178.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.647 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 22.3 m-20 -75.77 -19.97 58.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.526 -174.474 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -66.79 -45.82 77.23 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 174.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.554 HG12 ' O ' ' A' ' 59' ' ' ARG . 2.5 mm -69.97 -23.74 25.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.293 0.568 . . . . 0.0 110.451 177.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.487 ' HB3' ' HA ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -76.26 -48.67 19.43 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.822 179.838 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.76 -34.21 15.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.974 -174.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -126.67 25.39 6.43 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.466 -174.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.449 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 175.378 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.234 0.272 0 CA-C-O 121.247 0.546 . . . . 0.0 110.501 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.469 ' O ' ' HA ' ' A' ' 48' ' ' SER . 3.0 tpp180 -93.94 -145.65 0.24 Allowed 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.559 -177.48 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.69 HD21 ' H ' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -116.11 149.24 39.31 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -174.536 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.433 ' HB ' ' HA ' ' A' ' 47' ' ' THR . 9.0 mt -135.72 118.29 22.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 171.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.585 ' HB ' ' HD1' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -91.23 87.4 6.49 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.173 0.511 . . . . 0.0 110.637 -177.452 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.588 ' HG2' HD11 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -95.27 81.55 3.64 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.532 179.136 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.1 mt -125.36 102.88 7.63 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.145 0.498 . . . . 0.0 110.812 -178.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 . . . . . 0 C--N 1.321 -0.646 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.846 178.047 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.576 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.414 0 CA-C-O 120.812 0.339 . . . . 0.0 110.202 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.528 ' HB2' HG12 ' A' ' 15' ' ' ILE . 46.2 t -87.55 143.64 27.1 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.431 178.753 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -104.86 3.49 31.06 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.65 175.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.763 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -94.39 -40.99 4.34 Favored Glycine 0 N--CA 1.445 -0.759 0 CA-C-N 115.636 -0.711 . . . . 0.0 113.009 -176.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.453 ' SG ' ' N ' ' A' ' 12' ' ' GLY . 23.8 p -117.2 -88.26 0.6 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 117.05 0.425 . . . . 0.0 111.677 -177.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.453 ' N ' ' SG ' ' A' ' 11' ' ' CYS . . . -110.76 -113.22 3.43 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.872 -0.68 . . . . 0.0 113.364 -174.508 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.477 ' HA2' ' NH2' ' A' ' 7' ' ' ARG . . . -116.78 -119.9 3.11 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.677 -0.773 . . . . 0.0 113.125 -175.184 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 7' ' ' ARG . 4.0 mttt -62.27 138.38 58.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.088 0.471 . . . . 0.0 111.406 -177.568 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.528 HG12 ' HB2' ' A' ' 8' ' ' CYS . 38.8 mt -86.69 104.48 14.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.356 -179.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.89 -6.65 59.34 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.772 177.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.35 150.65 47.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.962 177.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.46 -19.03 24.34 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.997 0.427 . . . . 0.0 110.076 177.736 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -114.36 115.55 27.52 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.702 176.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.584 HD13 ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -146.52 177.58 8.94 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.549 -177.117 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.596 HD12 ' HA ' ' A' ' 107' ' ' ARG . 4.7 tp -132.4 156.72 46.17 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 -178.147 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.668 ' HD2' ' CD1' ' A' ' 27' ' ' TYR . 1.8 m-85 -123.0 130.48 52.85 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 178.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.574 ' HA ' ' O ' ' A' ' 104' ' ' LEU . . . -153.25 137.93 16.95 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.614 -0.435 . . . . 0.0 112.063 -176.324 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 4.8 mpp? 57.72 38.6 27.54 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.421 175.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 65.48 13.14 8.68 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.668 178.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.3 162.3 21.75 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 171.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.668 ' CD1' ' HD2' ' A' ' 22' ' ' TYR . 6.9 m-85 -105.12 151.31 24.18 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 120.442 -0.503 . . . . 0.0 109.66 178.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 62.0 m95 -143.72 179.28 7.24 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.362 -170.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.6 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 12.6 m80 -100.69 163.8 12.17 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 166.086 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.13 -34.46 78.44 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.516 0.675 . . . . 0.0 109.725 175.327 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -86.33 -16.95 35.84 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.41 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.763 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 99.9 m -93.86 -30.8 14.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.442 -178.186 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.635 ' HG ' HD13 ' A' ' 42' ' ' LEU . 38.6 tp -82.16 87.63 6.51 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 174.12 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.764 ' HB2' ' HA ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -127.45 154.13 45.44 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.496 -174.273 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.704 ' HB3' ' H ' ' A' ' 39' ' ' GLN . 13.1 t -66.83 152.59 45.3 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 175.425 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.4 m -77.02 -15.03 59.75 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.142 0.496 . . . . 0.0 110.011 176.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -111.73 -37.29 5.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.322 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.543 ' CB ' ' HB2' ' A' ' 41' ' ' GLN . 34.5 m -103.65 -41.23 6.01 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 -173.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.764 ' HA ' ' HB2' ' A' ' 34' ' ' LYS . 5.9 mp0 75.0 -37.39 0.35 Allowed 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.28 0.632 . . . . 0.0 111.846 -175.26 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.24 -26.58 13.87 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 121.947 -0.47 . . . . 0.0 111.888 -176.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.806 ' HG3' HG12 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -63.81 -25.17 68.05 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -172.817 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.635 HD13 ' HG ' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -60.39 -30.97 69.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.854 0.359 . . . . 0.0 111.533 -177.02 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -128.6 36.78 2.38 Favored Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 120.467 -0.873 . . . . 0.0 111.982 178.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -122.15 -62.99 1.33 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.824 0.345 . . . . 0.0 111.185 -178.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.806 HG12 ' HG3' ' A' ' 41' ' ' GLN . 1.2 pt -81.87 41.08 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.611 -177.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 87.22 134.4 4.15 Favored Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 110.489 -1.044 . . . . 0.0 110.489 -174.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.846 HG23 HG23 ' A' ' 105' ' ' ILE . 0.1 OUTLIER -77.91 103.92 8.15 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.38 0.61 . . . . 0.0 110.548 -174.138 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -160.05 114.4 2.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.458 -178.523 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.3 p -107.84 170.53 7.93 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 110.232 -0.285 . . . . 0.0 110.232 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.469 ' CZ ' ' HG3' ' A' ' 102' ' ' GLU . 2.7 m-85 -138.77 118.77 13.36 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.732 0.301 . . . . 0.0 110.862 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.17 102.57 14.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.808 -176.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.811 ' HE2' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -157.47 142.51 16.87 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 173.829 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 m 65.9 4.69 3.08 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 67.34 15.31 65.58 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.831 -0.699 . . . . 0.0 111.671 -176.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.8 117.18 31.45 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 121.023 0.439 . . . . 0.0 110.034 -176.381 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.431 HG23 HD12 ' A' ' 56' ' ' ILE . 24.2 mt -69.07 113.47 4.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.887 -175.005 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.811 HD11 ' HE2' ' A' ' 52' ' ' LYS . 35.6 mt -118.92 162.17 18.96 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.021 177.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.583 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 9.3 p -85.71 173.97 9.71 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.389 172.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.77 -28.44 69.02 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.702 178.175 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -82.43 -38.41 24.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.287 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.601 ' HA ' ' HB2' ' A' ' 64' ' ' ARG . 10.7 m-20 -69.8 -27.75 65.16 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-O 120.918 0.389 . . . . 0.0 110.586 -178.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.671 ' HE1' ' HG2' ' A' ' 52' ' ' LYS . 56.2 t80 -60.21 -47.07 87.5 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.033 174.618 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.482 ' HA ' ' HA3' ' A' ' 67' ' ' GLY . 6.8 mt -71.6 -26.35 26.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.991 0.424 . . . . 0.0 110.685 177.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.601 ' HB2' ' HA ' ' A' ' 61' ' ' ASP . 0.4 OUTLIER -63.47 -47.83 80.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.23 178.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.5 mt -105.2 -42.5 5.26 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -174.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -95.11 -19.2 20.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.743 0.306 . . . . 0.0 111.392 -175.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.482 ' HA3' ' HA ' ' A' ' 63' ' ' ILE . . . . . . . . 0 N--CA 1.45 -0.384 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.743 -176.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.469 ' HG3' ' CZ ' ' A' ' 50' ' ' TYR . 5.2 mt-10 . . . . . 0 C--O 1.234 0.277 0 CA-C-O 120.6 0.238 . . . . 0.0 111.242 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.9 30.12 15.39 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.86 175.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.574 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 11.8 mt -87.04 -23.59 24.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.063 -178.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.846 HG23 HG23 ' A' ' 47' ' ' THR . 46.7 mt -93.06 119.9 41.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.386 0.612 . . . . 0.0 111.622 -176.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.432 ' O ' ' HD1' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -104.86 128.32 53.01 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 114.904 -1.043 . . . . 0.0 109.819 175.915 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.596 ' HA ' HD12 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -108.14 102.74 11.86 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 177.407 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -145.73 103.95 3.83 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.559 -178.346 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.2 mp0 . . . . . 0 C--N 1.32 -0.708 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.895 178.201 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.897 ' HG3' ' HG3' ' A' ' 14' ' ' LYS . 7.4 ttp180 . . . . . 0 N--CA 1.464 0.24 0 CA-C-O 121.09 0.471 . . . . 0.0 111.696 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.557 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 40.9 t -79.57 132.18 36.22 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.142 177.46 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -95.89 7.71 45.61 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.073 176.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 1.043 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -97.56 -38.37 4.23 Favored Glycine 0 N--CA 1.446 -0.642 0 CA-C-N 115.8 -0.637 . . . . 0.0 112.462 179.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 12' ' ' GLY . 22.2 p -122.11 -94.23 0.5 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.277 0.561 . . . . 0.0 110.68 177.444 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.44 ' N ' ' SG ' ' A' ' 11' ' ' CYS . . . 172.15 64.83 0.04 OUTLIER Glycine 0 N--CA 1.442 -0.944 0 N-CA-C 110.462 -1.055 . . . . 0.0 110.462 -179.246 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -156.09 120.14 0.97 Allowed Glycine 0 N--CA 1.437 -1.259 0 N-CA-C 111.354 -0.698 . . . . 0.0 111.354 -175.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.897 ' HG3' ' HG3' ' A' ' 7' ' ' ARG . 1.2 mtpt -63.82 95.51 0.11 Allowed 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.538 -0.331 . . . . 0.0 110.188 -178.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -66.18 105.39 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.754 -176.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.49 -8.25 45.1 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.337 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.09 154.48 34.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.715 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.66 5.38 28.33 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.535 179.508 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -122.79 88.88 3.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.786 179.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.59 163.33 27.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.998 0.427 . . . . 0.0 110.937 -178.433 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.413 ' HB3' ' HB2' ' A' ' 28' ' ' TRP . 0.4 OUTLIER -102.35 146.49 27.97 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.043 175.279 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.448 ' HB2' ' HB ' ' A' ' 106' ' ' THR . 1.8 m-85 -116.38 122.23 44.23 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 -177.09 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.526 ' HB1' ' CD1' ' A' ' 28' ' ' TRP . . . -152.35 127.4 9.72 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.301 176.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 6.5 mtm 62.52 36.93 13.63 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.017 -178.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 62.93 10.8 4.6 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.679 -178.256 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -116.23 171.65 7.69 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 174.742 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.557 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 20.8 m-30 -107.9 156.6 19.0 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.96 0.41 . . . . 0.0 110.799 -177.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.526 ' CD1' ' HB1' ' A' ' 23' ' ' ALA . 59.9 m95 -141.36 163.17 33.66 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.117 -176.332 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.653 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 22.4 m80 -97.19 163.89 12.72 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 168.434 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.16 -42.62 96.66 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.896 0.379 . . . . 0.0 110.843 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.9 tpt85 -82.72 -14.29 54.84 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.029 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 1.043 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 69.0 m -85.46 -37.19 20.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.859 179.747 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.611 ' HG ' HD11 ' A' ' 42' ' ' LEU . 29.6 tp -82.14 68.93 8.75 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 171.526 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.428 ' HD3' ' O ' ' A' ' 32' ' ' CYS . 0.0 OUTLIER -119.75 165.57 14.36 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.668 -1.151 . . . . 0.0 110.802 -173.67 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.59 ' HA ' HD21 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -42.32 120.41 1.63 Allowed 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 113.314 -1.767 . . . . 0.0 110.748 174.78 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.34 -46.52 86.07 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -172.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.9 m -116.63 -20.01 9.75 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.969 0.414 . . . . 0.0 111.401 -174.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.24 -16.86 20.17 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.052 -172.324 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 65.5 mm-40 53.33 26.35 5.23 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 176.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.408 ' N ' ' HB2' ' A' ' 35' ' ' CYS . . . -83.26 -161.96 0.56 Allowed 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 169.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.818 ' HB3' ' HB2' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -101.74 118.48 37.02 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 177.238 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.611 HD11 ' HG ' ' A' ' 33' ' ' LEU . 10.7 mt -58.61 -60.74 3.33 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.02 0.438 . . . . 0.0 111.433 -176.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.73 40.69 3.04 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.893 -0.67 . . . . 0.0 113.165 -176.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.818 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . 28.2 t0 -108.63 -25.28 10.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.001 0.429 . . . . 0.0 110.985 178.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -113.32 16.53 8.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.384 0.611 . . . . 0.0 109.977 178.171 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 126.96 124.74 2.75 Favored Glycine 0 N--CA 1.446 -0.688 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.765 -175.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.59 102.54 8.94 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 122.398 -0.472 . . . . 0.0 111.524 -173.533 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.4 111.85 1.45 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.388 175.21 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.47 ' O ' ' HA ' ' A' ' 102' ' ' GLU . 1.2 p -104.37 139.87 38.72 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 178.529 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.689 ' HE2' ' HD3' ' A' ' 59' ' ' ARG . 2.2 m-85 -101.76 122.85 44.72 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.962 -177.722 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -97.3 104.49 16.51 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.92 179.08 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.406 ' O ' ' HG2' ' A' ' 55' ' ' MET . 0.1 OUTLIER -153.77 142.37 20.84 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.168 -179.855 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 66.1 m 65.47 21.64 11.84 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 123.547 0.529 . . . . 0.0 111.487 -179.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.01 8.77 79.07 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.852 -176.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.406 ' HG2' ' O ' ' A' ' 52' ' ' LYS . 2.8 ptp -120.81 168.1 11.8 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -179.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.551 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 5.4 mt -124.19 121.87 62.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.554 -178.437 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.557 HD23 ' HG ' ' A' ' 65' ' ' LEU . 0.9 OUTLIER -113.24 -176.55 2.92 Favored 'General case' 0 CA--C 1.506 -0.714 0 CA-C-O 122.345 1.069 . . . . 0.0 111.179 177.83 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 1.081 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 0.1 OUTLIER -92.41 147.77 22.65 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-N 112.503 -2.135 . . . . 0.0 110.736 -179.006 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.689 ' HD3' ' HE2' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -64.29 -21.94 66.78 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.629 0.728 . . . . 0.0 109.65 173.886 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -84.01 -38.4 20.96 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.293 -0.867 . . . . 0.0 112.104 -179.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 1.081 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 66.3 m-20 -107.55 -15.24 14.65 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.335 -0.546 . . . . 0.0 112.011 -169.434 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -55.17 -31.21 61.18 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.025 0.441 . . . . 0.0 110.556 174.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.415 ' H ' HG12 ' A' ' 63' ' ' ILE . 0.9 OUTLIER -69.35 -15.85 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.561 -179.804 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.578 ' HG2' HD21 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -98.96 -2.83 36.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.236 0.541 . . . . 0.0 110.205 177.781 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.578 HD21 ' HG2' ' A' ' 64' ' ' ARG . 1.3 mm? -109.82 -50.89 2.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.733 178.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -129.62 34.21 4.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.292 -178.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.611 0 C-N-CA 120.342 -0.932 . . . . 0.0 112.576 -178.797 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.49 ' HB2' ' H ' ' A' ' 103' ' ' ARG . 1.2 pt-20 . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 120.57 0.224 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.49 ' H ' ' HB2' ' A' ' 102' ' ' GLU . 0.0 OUTLIER 58.22 25.46 12.63 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.154 175.072 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.5 tp -88.05 36.41 0.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.831 0.348 . . . . 0.0 111.295 -179.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.461 HG12 HD22 ' A' ' 33' ' ' LEU . 43.9 mt -118.03 102.65 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.108 0.48 . . . . 0.0 110.324 175.461 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.448 ' HB ' ' HB2' ' A' ' 22' ' ' TYR . 18.7 m -105.68 109.45 21.42 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 176.136 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.03 99.35 9.23 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.743 -173.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.09 101.05 7.73 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-O 121.387 0.613 . . . . 0.0 110.376 176.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 . . . . . 0 C--N 1.315 -0.896 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 172.575 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.538 ' H ' ' HD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.531 0.205 . . . . 0.0 110.81 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.528 ' HB2' HG12 ' A' ' 15' ' ' ILE . 50.6 t -79.79 131.34 35.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.197 0.522 . . . . 0.0 111.648 -178.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -102.17 1.73 36.42 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.997 174.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.24 -54.58 3.5 Favored Glycine 0 N--CA 1.447 -0.609 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.074 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.0 p -103.88 -21.28 13.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.344 0.592 . . . . 0.0 110.249 177.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.48 56.38 2.27 Favored Glycine 0 N--CA 1.444 -0.773 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.258 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -147.92 -151.4 5.43 Favored Glycine 0 N--CA 1.434 -1.451 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.641 178.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.9 tttp -102.05 135.87 42.87 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 115.248 -0.476 . . . . 0.0 110.334 178.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.528 HG12 ' HB2' ' A' ' 8' ' ' CYS . 3.4 mt -87.79 89.0 2.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.218 0.532 . . . . 0.0 110.75 177.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -100.97 20.35 15.65 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.844 177.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.38 153.86 17.58 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.842 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.544 ' C ' ' HG3' ' A' ' 109' ' ' GLU . 16.7 ttp180 -84.77 11.46 9.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.845 0.355 . . . . 0.0 110.817 179.32 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.868 ' HA ' ' HB3' ' A' ' 109' ' ' GLU . 18.3 m-85 -140.64 110.91 6.65 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 123.054 0.542 . . . . 0.0 109.822 178.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.463 ' C ' HD12 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -135.19 178.85 6.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.666 0.27 . . . . 0.0 111.399 -177.628 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.489 HD23 HG23 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -145.76 153.96 41.52 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.481 -179.362 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.664 ' HD1' ' CD1' ' A' ' 27' ' ' TYR . 1.9 m-85 -122.14 127.24 49.86 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 172.141 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -152.43 124.03 7.82 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.365 0.126 . . . . 0.0 111.117 -178.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.406 ' C ' ' H ' ' A' ' 26' ' ' SER . 3.7 mtm 65.74 33.9 7.9 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.766 0.666 . . . . 0.0 110.769 -179.357 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 73.07 -15.11 0.55 Allowed 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.898 -178.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.406 ' H ' ' C ' ' A' ' 24' ' ' MET . 0.8 OUTLIER -87.66 145.73 26.03 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.427 -0.582 . . . . 0.0 109.427 174.797 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.664 ' CD1' ' HD1' ' A' ' 22' ' ' TYR . 5.4 m-85 -99.59 157.7 16.27 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.401 ' O ' HD12 ' A' ' 15' ' ' ILE . 52.1 m95 -137.83 165.2 27.05 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.852 -172.453 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.582 ' HB2' ' HB2' ' A' ' 32' ' ' CYS . 0.9 OUTLIER -81.37 -143.33 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.496 0.665 . . . . 0.0 111.208 178.368 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.459 ' H ' ' HB3' ' A' ' 29' ' ' HIS . 0.9 OUTLIER -90.05 -59.17 2.26 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.26 177.468 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -101.92 9.84 40.24 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.458 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.582 ' HB2' ' HB2' ' A' ' 29' ' ' HIS . 8.3 m -79.75 -21.24 44.7 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.997 -0.281 . . . . 0.0 111.143 -177.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -93.24 79.76 4.47 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 170.54 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.461 ' HZ1' ' HG2' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -131.61 168.01 18.44 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.92 -1.037 . . . . 0.0 110.435 -173.683 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.511 ' HB3' ' H ' ' A' ' 39' ' ' GLN . 44.7 t -59.73 160.78 6.98 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.769 179.152 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 54.3 m -84.48 -20.71 31.24 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.536 177.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.48 -47.08 3.02 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.629 -178.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 59.1 m -73.89 -37.71 64.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.875 0.369 . . . . 0.0 110.57 178.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.511 ' H ' ' HB3' ' A' ' 35' ' ' CYS . 1.1 mt-30 62.5 28.72 16.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.642 -176.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.59 146.93 26.53 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-N 115.221 -0.899 . . . . 0.0 108.708 172.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -59.89 127.54 32.41 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.195 -176.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.77 HD12 ' HA ' ' A' ' 58' ' ' CYS . 0.0 OUTLIER -74.33 -0.14 16.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.346 -178.406 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.543 ' HA2' HG23 ' A' ' 47' ' ' THR . . . -106.18 3.67 37.99 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 121.204 -0.522 . . . . 0.0 112.356 179.264 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -98.1 -47.01 5.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.03 0.443 . . . . 0.0 110.504 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.1 pt -85.36 57.63 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.438 0.637 . . . . 0.0 110.061 176.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 89.19 -159.82 29.03 Favored Glycine 0 N--CA 1.447 -0.603 0 N-CA-C 110.145 -1.182 . . . . 0.0 110.145 -171.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.543 HG23 ' HA2' ' A' ' 43' ' ' GLY . 0.1 OUTLIER -142.52 102.41 4.06 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 117.884 0.842 . . . . 0.0 111.437 175.759 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.447 ' HB3' ' O ' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -162.78 117.32 1.75 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.835 176.158 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.489 ' O ' ' HG3' ' A' ' 102' ' ' GLU . 0.1 OUTLIER -100.99 112.38 24.81 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 175.384 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.715 ' CD1' ' HB2' ' A' ' 102' ' ' GLU . 15.1 m-85 -80.7 161.61 24.53 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.003 -176.142 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.2 108.82 9.98 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.661 178.12 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.567 ' HG2' ' HE1' ' A' ' 62' ' ' TYR . 0.9 OUTLIER -152.69 123.37 7.33 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.9 m 66.24 17.05 10.64 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.211 0.319 . . . . 0.0 110.953 -177.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.85 13.55 82.32 Favored Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -173.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.16 158.04 17.78 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.178 -0.511 . . . . 0.0 110.369 -177.62 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.1 mt -115.8 125.25 72.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.037 176.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.405 ' HB3' ' HB3' ' A' ' 61' ' ' ASP . 1.0 OUTLIER -131.97 168.49 17.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.807 -175.467 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.77 ' HA ' HD12 ' A' ' 42' ' ' LEU . 30.7 p -79.91 -174.65 4.52 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 174.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.683 ' O ' HG12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -69.67 -51.16 37.11 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.616 -0.434 . . . . 0.0 109.945 176.656 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -55.36 -49.96 70.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.034 178.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.626 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 0.4 OUTLIER -62.56 -40.64 97.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.572 179.718 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.567 ' HE1' ' HG2' ' A' ' 52' ' ' LYS . 58.0 t80 -56.61 -49.53 74.69 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.764 0.316 . . . . 0.0 111.281 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.683 HG12 ' O ' ' A' ' 59' ' ' ARG . 1.9 mm -71.45 -36.95 62.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.012 -178.215 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.4 mtp85 -72.06 -45.37 61.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.39 -178.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.483 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 0.2 OUTLIER -69.3 -57.42 5.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.657 -175.929 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -117.37 -41.46 2.97 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.581 -0.447 . . . . 0.0 111.671 -173.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.252 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.449 -177.653 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.715 ' HB2' ' CD1' ' A' ' 50' ' ' TYR . 2.1 mm-40 . . . . . 0 N--CA 1.451 -0.413 0 CA-C-O 121.047 0.451 . . . . 0.0 111.773 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.04 23.42 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.346 178.275 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 8.4 mt -79.71 41.69 0.5 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.716 -176.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.489 HG23 HD23 ' A' ' 21' ' ' LEU . 1.8 mt -106.78 107.45 22.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.225 0.536 . . . . 0.0 110.707 177.304 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.538 ' HB ' ' HD2' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -100.65 100.38 11.08 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.493 -0.776 . . . . 0.0 108.971 174.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.491 ' NH2' ' HB3' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -125.29 107.15 10.42 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -172.51 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.87 98.25 3.09 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.221 168.239 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.868 ' HB3' ' HA ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.647 0 CA-C-O 120.921 0.391 . . . . 0.0 110.508 176.082 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.424 ' HE ' ' HB2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.734 0.302 . . . . 0.0 110.315 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.518 ' HB2' HG12 ' A' ' 15' ' ' ILE . 54.1 t -82.36 128.6 34.39 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.365 177.486 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -92.78 0.09 57.35 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.242 177.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.755 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -81.44 -61.25 2.11 Favored Glycine 0 N--CA 1.446 -0.633 0 CA-C-N 115.802 -0.635 . . . . 0.0 112.832 -177.719 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.0 p -84.91 -81.93 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.925 0.393 . . . . 0.0 110.053 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.2 48.81 0.01 OUTLIER Glycine 0 N--CA 1.443 -0.89 0 C-N-CA 120.583 -0.818 . . . . 0.0 113.034 176.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -158.7 -147.16 4.76 Favored Glycine 0 N--CA 1.434 -1.46 0 C-N-CA 120.565 -0.826 . . . . 0.0 111.488 176.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.53 150.67 22.43 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 115.41 -0.395 . . . . 0.0 110.217 178.072 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.518 HG12 ' HB2' ' A' ' 8' ' ' CYS . 1.4 mt -85.85 89.69 2.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.451 0.643 . . . . 0.0 110.22 179.464 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -100.28 12.42 37.13 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.535 -177.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.26 159.48 15.09 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.37 -179.447 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.4 -8.36 55.13 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.753 -179.253 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -115.7 115.8 26.98 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 176.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.485 HD13 HD12 ' A' ' 15' ' ' ILE . 0.2 OUTLIER -145.99 173.37 12.22 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.732 -176.317 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.475 HD21 HG21 ' A' ' 105' ' ' ILE . 0.3 OUTLIER -135.46 144.72 46.57 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.445 179.132 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.509 ' HD2' ' CE1' ' A' ' 27' ' ' TYR . 9.8 m-85 -114.73 121.05 42.15 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 175.524 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -152.28 133.1 14.08 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.726 -176.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.2 mtm 61.31 36.49 17.63 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.016 178.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 65.84 4.9 3.14 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.226 -178.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.73 152.33 26.7 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 176.402 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.509 ' CE1' ' HD2' ' A' ' 22' ' ' TYR . 6.7 m-30 -105.48 147.01 28.77 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -177.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.497 ' HA ' ' SG ' ' A' ' 8' ' ' CYS . 16.9 m95 -143.54 175.45 9.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.932 -171.103 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.72 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 29.9 m80 -97.8 171.22 8.44 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 168.266 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.15 -44.1 97.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.892 0.377 . . . . 0.0 110.678 177.482 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -90.71 10.4 26.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.277 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.755 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 94.9 m -108.16 -32.89 7.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.708 -0.224 . . . . 0.0 111.234 178.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.571 HD13 HD11 ' A' ' 105' ' ' ILE . 0.9 OUTLIER -79.98 83.54 5.87 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 174.408 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.478 ' HB3' ' HA ' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -148.85 178.66 8.48 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.98 -173.466 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 7.8 t -59.64 131.0 49.59 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.346 175.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.13 7.67 18.08 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.153 0.502 . . . . 0.0 110.172 176.047 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.83 -61.62 1.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.478 -176.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.5 p -106.76 -1.63 22.4 Favored 'General case' 0 C--O 1.231 0.129 0 C-N-CA 120.944 -0.303 . . . . 0.0 111.412 -177.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 69.72 21.23 6.6 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.131 178.745 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.19 117.9 6.16 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.138 0.494 . . . . 0.0 110.19 174.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.478 ' HA ' ' HB3' ' A' ' 34' ' ' LYS . 0.7 OUTLIER -64.46 102.46 0.55 Allowed 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 114.592 -1.186 . . . . 0.0 110.241 -176.716 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.491 ' HA ' HD23 ' A' ' 42' ' ' LEU . 8.0 mt -74.66 -2.36 25.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.368 -172.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.648 ' HA2' HG23 ' A' ' 47' ' ' THR . . . -112.75 6.67 25.95 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.814 -0.708 . . . . 0.0 111.633 177.256 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -109.32 -54.97 2.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.763 0.316 . . . . 0.0 111.078 -178.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -85.72 53.69 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.135 0.493 . . . . 0.0 110.481 179.137 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.86 113.99 2.43 Favored Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -175.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.648 HG23 ' HA2' ' A' ' 43' ' ' GLY . 0.1 OUTLIER -77.21 105.06 8.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.21 0.529 . . . . 0.0 110.835 -173.805 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.76 129.94 5.56 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.25 -0.887 . . . . 0.0 109.89 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.04 127.08 39.64 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 -179.436 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.459 ' HE2' ' HA ' ' A' ' 59' ' ' ARG . 4.6 m-30 -95.48 138.44 33.16 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 179.448 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.837 ' HB ' ' HD3' ' A' ' 103' ' ' ARG . 28.2 m -136.18 105.25 5.94 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.449 -0.796 . . . . 0.0 112.46 -167.013 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -155.34 126.96 7.39 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 172.235 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 34.0 m 67.1 20.38 10.33 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.259 -170.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 14.68 61.3 Favored Glycine 0 C--N 1.333 0.408 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 -173.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 13.3 ttm -101.92 149.18 24.48 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.526 -0.337 . . . . 0.0 110.433 -176.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.423 HG21 HD13 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -107.83 126.91 64.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.656 179.667 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.473 HD11 ' HE2' ' A' ' 66' ' ' PHE . 0.3 OUTLIER -140.22 172.56 12.57 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.789 -179.324 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.658 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 26.5 p -84.48 175.7 9.13 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 172.327 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.459 ' HA ' ' HE2' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -66.91 -30.23 70.33 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.665 0.269 . . . . 0.0 110.814 179.509 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -76.59 -46.9 24.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.757 179.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.658 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 0.8 OUTLIER -68.84 -27.4 65.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.758 179.826 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.461 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 8.3 t80 -55.3 -52.32 63.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.648 176.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.498 ' O ' ' HA3' ' A' ' 67' ' ' GLY . 0.4 OUTLIER -79.24 -11.05 12.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.181 -178.696 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.57 -39.81 19.9 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.046 0.45 . . . . 0.0 110.167 177.104 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.64 -41.4 16.38 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.654 -177.375 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.473 ' HE2' HD11 ' A' ' 57' ' ' LEU . 82.3 m-85 -119.31 7.51 11.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.806 -173.346 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.498 ' HA3' ' O ' ' A' ' 63' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.255 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.388 -179.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 . . . . . 0 N--CA 1.454 -0.226 0 CA-C-O 121.077 0.465 . . . . 0.0 111.347 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.837 ' HD3' ' HB ' ' A' ' 51' ' ' THR . 0.2 OUTLIER -118.66 -112.07 0.34 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.685 -179.477 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.596 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 2.6 pt? -116.91 106.47 13.47 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -173.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.571 HD11 HD13 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -110.42 131.05 62.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 O-C-N 121.921 -0.487 . . . . 0.0 109.83 171.717 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 8.7 m -125.45 111.23 14.86 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.671 -0.862 . . . . 0.0 108.671 176.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 107' ' ' ARG . 0.0 OUTLIER -120.09 138.15 53.72 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 121.912 -0.493 . . . . 0.0 111.06 -172.196 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -142.61 133.17 25.14 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 175.212 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.317 -0.826 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.846 -174.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.449 ' NH2' ' HA2' ' A' ' 12' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.2 0 CA-C-O 120.324 0.107 . . . . 0.0 110.787 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 53.3 t -75.17 121.63 22.4 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 175.391 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.64 -4.22 58.89 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.364 178.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 1.009 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -78.64 -47.22 8.08 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.261 178.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.1 p -107.35 -101.19 0.36 Allowed 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.239 176.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.449 ' HA2' ' NH2' ' A' ' 7' ' ' ARG . . . -174.87 29.53 0.08 OUTLIER Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.784 178.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -143.47 -148.87 4.99 Favored Glycine 0 N--CA 1.436 -1.365 0 C-N-CA 120.304 -0.95 . . . . 0.0 111.808 178.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.2 mtpp -100.8 163.24 12.41 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 175.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.537 ' CD1' ' HB3' ' A' ' 27' ' ' TYR . 3.4 mt -96.63 111.98 27.8 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-O 121.041 0.448 . . . . 0.0 111.668 -174.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.39 -16.75 47.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.439 178.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.77 142.64 57.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.171 177.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -74.76 -38.24 62.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.967 177.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -97.55 92.04 5.73 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.499 178.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.59 -173.2 2.34 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.482 -176.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.703 HD23 HG12 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -146.58 144.56 29.65 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.012 -178.297 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.65 ' O ' ' HB ' ' A' ' 106' ' ' THR . 2.3 m-85 -107.64 118.29 36.33 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 175.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.538 ' HB2' HD23 ' A' ' 104' ' ' LEU . . . -152.08 134.22 15.07 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.277 -0.569 . . . . 0.0 111.19 176.552 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.494 ' HE2' HG23 ' A' ' 51' ' ' THR . 3.7 mtm 63.8 32.31 13.58 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.035 -179.253 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 65.72 16.57 10.55 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.869 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.37 -177.86 4.59 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.473 -0.785 . . . . 0.0 108.934 176.044 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.537 ' HB3' ' CD1' ' A' ' 15' ' ' ILE . 13.4 m-30 -107.98 161.31 15.06 Favored 'General case' 0 C--N 1.311 -1.071 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.665 -177.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.632 ' HB3' ' HB2' ' A' ' 33' ' ' LEU . 81.0 m95 -142.71 132.36 23.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.442 -179.713 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.663 ' HB2' ' HB2' ' A' ' 32' ' ' CYS . 2.6 m80 -74.32 177.47 5.85 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.22 178.623 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.0 m -66.69 -40.63 88.62 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.555 175.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.673 ' HA ' ' NE2' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -96.86 -14.24 21.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.398 179.876 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 1.009 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 58.3 m -79.34 -36.89 38.72 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 121.177 -0.209 . . . . 0.0 110.643 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.632 ' HB2' ' HB3' ' A' ' 28' ' ' TRP . 8.1 tp -81.59 83.66 6.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.558 0.694 . . . . 0.0 109.587 172.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.14 156.26 48.61 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.382 -179.406 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 15.9 t -60.09 136.42 58.01 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.942 177.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 m -83.27 -0.77 51.07 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 175.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.56 -54.76 2.51 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.733 -177.34 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 17.3 p -113.74 -1.2 14.02 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.418 -0.513 . . . . 0.0 111.776 -177.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 73.9 mm-40 67.06 21.04 10.29 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.369 0.667 . . . . 0.0 112.035 178.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.17 126.46 27.61 Favored 'General case' 0 N--CA 1.446 -0.675 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 175.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.673 ' NE2' ' HA ' ' A' ' 31' ' ' ARG . 3.1 tp60 -72.07 74.73 0.93 Allowed 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 114.909 -1.042 . . . . 0.0 110.863 -175.467 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.514 ' HB3' ' O ' ' A' ' 48' ' ' SER . 96.3 mt -51.83 -43.34 63.13 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.535 -1.211 . . . . 0.0 112.309 -176.209 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -94.15 44.18 2.34 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.987 -179.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -156.29 -52.31 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.798 0.299 . . . . 0.0 111.703 178.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 pt -90.05 50.72 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-O 121.364 0.602 . . . . 0.0 111.199 -178.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 115.82 -158.13 14.6 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 -177.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.419 ' C ' ' HG ' ' A' ' 48' ' ' SER . 0.7 OUTLIER -136.32 103.92 5.45 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 117.339 0.57 . . . . 0.0 111.196 177.336 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.598 ' HB3' ' HG2' ' A' ' 102' ' ' GLU . 0.8 OUTLIER -160.27 150.78 18.52 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.6 177.816 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.565 ' HG ' ' HB3' ' A' ' 104' ' ' LEU . 17.1 p -174.99 151.7 1.38 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.86 0.362 . . . . 0.0 110.424 176.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -141.93 148.39 38.59 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.276 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.494 HG23 ' HE2' ' A' ' 24' ' ' MET . 10.4 m -137.86 111.01 7.83 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.079 0.466 . . . . 0.0 111.019 -179.475 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.474 ' O ' ' HG2' ' A' ' 55' ' ' MET . 5.2 mttt -155.11 151.56 28.45 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 177.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.427 ' HB2' ' O ' ' A' ' 52' ' ' LYS . 10.0 m 67.15 12.44 8.95 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.356 0.41 . . . . 0.0 111.534 -177.435 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 81.83 3.1 90.69 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.095 -177.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.474 ' HG2' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -114.94 165.36 12.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.395 0.617 . . . . 0.0 110.425 177.573 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.1 mp -112.12 135.91 49.96 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.624 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 62' ' ' TYR . 0.7 OUTLIER -128.65 168.98 15.0 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.249 -175.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.813 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 7.6 p -87.55 -174.22 4.7 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.141 172.384 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.499 ' O ' HG12 ' A' ' 63' ' ' ILE . 0.1 OUTLIER -68.09 -43.57 78.2 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 173.858 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -66.83 -47.91 70.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.578 -179.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.813 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 1.4 m-20 -69.07 -28.89 66.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.405 -175.176 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.497 ' HA ' HD12 ' A' ' 57' ' ' LEU . 77.3 t80 -62.48 -53.2 58.39 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.939 178.544 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.499 HG12 ' O ' ' A' ' 59' ' ' ARG . 0.2 OUTLIER -67.28 -29.07 44.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.96 0.41 . . . . 0.0 110.444 -177.577 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.81 -45.46 64.58 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.745 177.266 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.14 -60.96 1.99 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.736 -177.061 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.493 ' HE2' HD13 ' A' ' 57' ' ' LEU . 22.6 m-85 -108.84 -41.04 4.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.613 -173.691 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.409 ' HA2' ' HA ' ' A' ' 63' ' ' ILE . . . . . . . . 0 N--CA 1.447 -0.573 0 C-N-CA 120.264 -0.969 . . . . 0.0 112.521 179.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.598 ' HG2' ' HB3' ' A' ' 48' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.227 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.38 23.73 0.16 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.141 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.565 ' HB3' ' HG ' ' A' ' 49' ' ' SER . 0.4 OUTLIER -112.48 -36.6 5.2 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 -177.342 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.703 HG12 HD23 ' A' ' 21' ' ' LEU . 2.0 mt -70.52 119.61 16.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.353 0.597 . . . . 0.0 111.17 -178.408 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.65 ' HB ' ' O ' ' A' ' 22' ' ' TYR . 47.6 m -111.14 90.06 3.23 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 173.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.46 118.84 17.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.145 -172.439 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -144.88 124.92 13.56 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.946 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.319 -0.725 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 177.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.413 ' H3 ' ' CG ' ' A' ' 114' ' ' ASP . . . . . . . . 0 N--CA 1.483 1.796 0 N-CA-C 111.941 -0.464 . . . . 0.0 111.941 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.45 -31.76 72.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.017 0.437 . . . . 0.0 109.897 175.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -131.02 -167.11 1.79 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.458 172.461 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.48 155.9 31.4 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 177.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.511 ' HH2' ' HB2' ' A' ' 117' ' ' ASN . 0.7 OUTLIER -66.24 144.73 56.43 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.113 0.482 . . . . 0.0 111.085 -179.489 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.734 ' HB2' ' HA ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -116.39 2.92 13.25 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.307 -176.823 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.64 154.29 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.884 0 O-C-N 124.6 1.187 . . . . 0.0 113.495 174.116 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.672 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 37.1 t -78.99 117.55 20.16 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.865 173.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.458 ' HB1' ' CZ2' ' A' ' 28' ' ' TRP . . . -82.32 0.17 42.88 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.155 176.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.767 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -85.53 -47.68 5.04 Favored Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.566 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.9 p -116.61 -121.39 0.3 Allowed 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.84 -178.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -75.3 -63.54 2.48 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 121.308 -0.472 . . . . 0.0 113.371 -174.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 171.62 -76.43 0.1 OUTLIER Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.812 -178.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.86 127.17 31.49 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.89 0.376 . . . . 0.0 110.82 -178.105 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.529 HD13 ' HB3' ' A' ' 27' ' ' TYR . 4.3 mt -100.41 94.05 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.519 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.97 25.45 4.75 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.339 0.59 . . . . 0.0 109.971 177.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.419 ' HB2' ' HE2' ' A' ' 29' ' ' HIS . 0.9 OUTLIER -101.19 169.19 9.08 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.833 -178.182 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.859 ' HG2' ' HA ' ' A' ' 110' ' ' ASN . 0.3 OUTLIER -87.2 -29.58 21.64 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.895 176.239 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.542 ' CD1' ' HB3' ' A' ' 109' ' ' GLU . 7.6 m-30 -93.93 93.71 8.06 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.957 -177.015 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.594 HD23 ' HB2' ' A' ' 115' ' ' ALA . 0.0 OUTLIER -119.38 153.18 35.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.977 179.881 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.51 HD22 HG23 ' A' ' 105' ' ' ILE . 0.4 OUTLIER -137.18 151.32 48.66 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.407 -0.815 . . . . 0.0 108.954 177.692 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.612 ' CD2' ' HE1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -109.06 127.38 54.07 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 176.07 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.554 ' HB3' ' CD1' ' A' ' 28' ' ' TRP . . . -153.62 140.4 19.06 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.866 174.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 27.1 mtp 64.64 25.52 13.11 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.556 0.535 . . . . 0.0 111.395 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.477 ' O ' ' HD2' ' A' ' 6' ' ' LYS . 1.0 OUTLIER 69.12 12.08 8.43 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 121.08 0.467 . . . . 0.0 110.85 -176.69 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.734 ' HA ' ' HB2' ' A' ' 6' ' ' LYS . 0.5 OUTLIER -117.5 -176.81 3.09 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 174.136 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.672 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 18.2 m-30 -110.72 160.73 16.45 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 175.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.574 ' HA ' ' SG ' ' A' ' 8' ' ' CYS . 73.8 m95 -147.54 167.49 24.36 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.668 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 18.1 m80 -100.13 166.26 11.1 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 169.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.17 -43.75 78.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.614 0.245 . . . . 0.0 111.56 -177.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.9 mtp180 -100.49 -1.64 35.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.475 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.767 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 7.8 m -80.65 -44.29 19.07 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 174.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.57 HD12 HG22 ' A' ' 56' ' ' ILE . 22.0 tp -60.5 -72.98 0.1 Allowed 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.557 177.217 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.31 166.66 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 122.631 1.205 . . . . 0.0 113.633 171.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.476 ' HB2' ' N ' ' A' ' 39' ' ' GLN . 1.7 m -75.22 -172.26 1.66 Allowed 'General case' 0 N--CA 1.437 -1.101 0 CA-C-N 113.269 -1.787 . . . . 0.0 111.745 -175.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.2 m -99.4 -55.0 2.8 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.83 170.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 m -101.82 -49.32 4.01 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -177.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.77 -35.81 79.36 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -175.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.476 ' N ' ' HB2' ' A' ' 35' ' ' CYS . 4.4 mm-40 61.45 45.98 7.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.538 -175.197 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.07 -161.31 0.86 Allowed 'General case' 0 N--CA 1.442 -0.838 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.526 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -101.09 99.97 10.48 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.237 178.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.48 HD21 HD23 ' A' ' 33' ' ' LEU . 0.9 OUTLIER -54.82 -35.97 64.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.686 -178.045 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -82.78 1.05 89.02 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.804 -0.712 . . . . 0.0 113.58 -178.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -107.26 -19.48 13.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 117.263 0.531 . . . . 0.0 111.423 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.405 HD11 ' HB2' ' A' ' 58' ' ' CYS . 1.4 pt -84.55 -0.8 6.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.174 0.512 . . . . 0.0 110.792 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.714 ' HA3' ' HA ' ' A' ' 83' ' ' ASP . . . 121.71 178.74 15.84 Favored Glycine 0 N--CA 1.443 -0.844 0 N-CA-C 110.184 -1.167 . . . . 0.0 110.184 -174.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.59 HG22 HG22 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -94.29 99.09 11.38 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 117.965 0.882 . . . . 0.0 110.278 179.153 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 m -163.27 148.03 11.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.078 176.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.503 ' O ' ' HA ' ' A' ' 102' ' ' GLU . 0.1 OUTLIER -157.79 130.78 7.51 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.355 178.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -115.04 127.45 55.65 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 120.962 0.41 . . . . 0.0 110.4 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.0 m -116.84 109.27 16.87 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.702 -178.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -151.46 144.34 24.47 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.0 m 65.5 19.81 11.59 Favored 'General case' 0 N--CA 1.464 0.231 0 O-C-N 123.416 0.448 . . . . 0.0 110.92 -175.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.45 14.11 77.33 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.623 -175.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 52.8 mtm -104.28 165.2 11.21 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.864 0.364 . . . . 0.0 110.676 -178.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.57 HG22 HD12 ' A' ' 33' ' ' LEU . 3.0 mp -119.55 117.05 52.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.69 175.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.618 ' HB3' ' HB3' ' A' ' 61' ' ' ASP . 1.5 mp -124.89 150.39 46.56 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.454 -174.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.417 ' HB3' HD11 ' A' ' 42' ' ' LEU . 24.1 p -79.93 -173.54 3.95 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.021 171.141 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.507 ' O ' HG12 ' A' ' 63' ' ' ILE . 0.8 OUTLIER -67.3 -44.95 77.95 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.719 0.295 . . . . 0.0 110.93 177.564 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -66.64 -44.0 83.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.859 178.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.618 ' HB3' ' HB3' ' A' ' 57' ' ' LEU . 1.1 m-20 -56.34 -43.63 79.26 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.359 0.599 . . . . 0.0 110.079 177.502 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -60.18 -48.26 82.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.296 -178.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.507 HG12 ' O ' ' A' ' 59' ' ' ARG . 44.6 mm -62.3 -28.91 45.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.022 0.439 . . . . 0.0 111.097 -179.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 81.8 mtt180 -79.38 -38.28 35.35 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.321 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.82 -60.5 2.03 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -177.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.439 ' HE2' HD12 ' A' ' 57' ' ' LEU . 4.0 m-85 -119.9 39.98 3.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.995 0.426 . . . . 0.0 110.64 -176.026 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.404 ' HA3' ' O ' ' A' ' 63' ' ' ILE . . . -81.14 69.56 3.24 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.819 -177.146 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.89 137.13 56.97 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 176.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -63.68 97.72 0.16 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.074 0.464 . . . . 0.0 111.509 -175.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -118.33 44.09 1.48 Allowed Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 111.429 -0.669 . . . . 0.0 111.429 178.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.607 ' HB1' ' HB3' ' A' ' 96' ' ' GLU . . . -133.1 104.77 6.68 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.773 0.32 . . . . 0.0 110.393 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 139.48 -36.59 1.83 Allowed Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.835 -0.698 . . . . 0.0 111.621 -177.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -111.94 25.37 13.04 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 176.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -112.74 100.51 8.75 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.312 -0.444 . . . . 0.0 110.74 -175.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -77.91 -40.87 20.14 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.422 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -112.35 -124.34 4.33 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.997 -0.62 . . . . 0.0 111.806 176.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 55.84 44.6 25.71 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.11 0.481 . . . . 0.0 111.542 177.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.444 ' SD ' ' HG3' ' A' ' 93' ' ' MET . 0.0 OUTLIER -121.16 166.9 13.29 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.597 178.889 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 99.61 -26.29 24.96 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.426 -177.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.48 154.04 40.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.63 -0.285 . . . . 0.0 110.396 176.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.401 ' HA3' HG22 ' A' ' 87' ' ' VAL . . . 97.73 89.55 1.9 Allowed Glycine 0 N--CA 1.442 -0.915 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -175.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -86.84 3.89 86.68 Favored Glycine 0 CA--C 1.508 -0.349 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.714 ' HA ' ' HA3' ' A' ' 46' ' ' GLY . 3.4 p30 -67.61 168.05 11.87 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.788 -0.706 . . . . 0.0 111.225 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.553 ' HA ' ' HA3' ' A' ' 88' ' ' GLY . 1.0 OUTLIER -119.26 32.4 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.436 174.223 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -109.18 -40.97 4.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.786 -177.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.443 HG13 ' OD1' ' A' ' 83' ' ' ASP . 1.4 p -121.99 -34.7 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.876 179.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.401 HG22 ' HA3' ' A' ' 81' ' ' GLY . 0.3 OUTLIER -108.3 7.39 9.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.765 0.317 . . . . 0.0 111.178 179.734 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.553 ' HA3' ' HA ' ' A' ' 84' ' ' VAL . . . -71.17 -43.33 56.3 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.624 -0.798 . . . . 0.0 111.767 178.026 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.12 139.76 34.43 Favored Pre-proline 0 C--N 1.32 -0.708 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 176.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -56.59 102.75 0.11 Allowed 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.705 2.27 . . . . 0.0 112.657 -177.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.41 -47.76 2.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.299 178.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -156.45 96.41 1.66 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.328 176.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.444 ' HG3' ' SD ' ' A' ' 78' ' ' MET . 0.2 OUTLIER -88.71 46.03 1.35 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.144 178.712 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -99.48 2.35 57.45 Favored Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.275 -177.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 70.55 52.35 16.69 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.285 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.607 ' HB3' ' HB1' ' A' ' 71' ' ' ALA . 0.0 OUTLIER -81.18 90.35 6.06 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.047 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 58.3 57.51 3.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.533 0.683 . . . . 0.0 110.511 -174.477 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -87.94 61.62 4.02 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.254 177.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -69.71 128.22 35.67 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.016 0.436 . . . . 0.0 111.458 -174.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.85 17.83 4.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.781 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -75.81 -4.73 42.26 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.543 178.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.503 ' HA ' ' O ' ' A' ' 49' ' ' SER . 0.6 OUTLIER -85.89 -139.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.378 -179.067 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.446 ' HD3' ' HA ' ' A' ' 103' ' ' ARG . 0.0 OUTLIER 59.26 46.2 13.14 Favored 'General case' 0 N--CA 1.462 0.13 0 C-N-CA 122.976 0.51 . . . . 0.0 111.565 178.442 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -111.53 -5.05 14.6 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.59 HG22 HG22 ' A' ' 47' ' ' THR . 8.3 mt -92.66 124.79 45.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-O 121.435 0.636 . . . . 0.0 111.779 -177.184 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.524 ' HB ' ' CG ' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -121.57 115.1 22.17 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.687 -1.142 . . . . 0.0 108.0 171.586 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.1 120.92 19.64 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -169.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.635 ' HB2' ' CD2' ' A' ' 113' ' ' PHE . 0.1 OUTLIER -146.42 101.73 3.51 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 164.016 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.542 ' HB3' ' CD1' ' A' ' 19' ' ' PHE . 40.8 mt-10 -88.13 81.28 7.42 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.558 0.694 . . . . 0.0 110.889 -172.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.86 ' HB3' ' HG2' ' A' ' 112' ' ' GLN . 31.0 t-20 177.29 -169.48 0.07 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.266 -1.334 . . . . 0.0 107.745 177.433 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.04 12.2 0.75 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.081 0.467 . . . . 0.0 111.15 175.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.86 ' HG2' ' HB3' ' A' ' 110' ' ' ASN . 8.1 mm100 -71.63 -47.92 51.32 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.949 177.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.635 ' CD2' ' HB2' ' A' ' 108' ' ' LEU . 0.0 OUTLIER -101.25 -161.19 0.84 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.245 177.685 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.413 ' CG ' ' H3 ' ' A' ' 1' ' ' GLY . 7.8 t0 -78.36 44.69 0.52 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -176.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.594 ' HB2' HD23 ' A' ' 20' ' ' LEU . . . -96.05 11.29 34.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.477 0.656 . . . . 0.0 109.533 174.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -100.48 87.95 3.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.843 -178.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.511 ' HB2' ' HH2' ' A' ' 5' ' ' TRP . 11.7 t30 -78.58 -41.18 32.55 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 176.163 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -177.4 148.66 8.91 Favored Glycine 0 N--CA 1.442 -0.964 0 CA-C-N 114.814 -1.084 . . . . 0.0 111.268 177.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 13.9 mt -106.78 91.61 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -133.19 130.15 38.73 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.395 -177.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.59 179.94 7.01 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.157 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.747 -0.644 . . . . 0.0 110.777 -177.465 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.627 0 N-CA-C 111.748 -0.541 . . . . 0.0 111.748 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 m 60.35 84.93 0.12 Allowed 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.195 0.522 . . . . 0.0 111.119 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -84.41 -8.7 58.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.392 178.494 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.78 145.28 34.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.105 176.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.403 ' HZ3' ' HG2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -102.87 155.97 17.98 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.929 0.395 . . . . 0.0 111.195 -178.547 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.961 ' HA ' ' HD2' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -74.73 78.46 2.05 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.584 -177.013 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.502 ' NH2' ' HA2' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -123.11 134.6 54.22 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.593 175.598 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.441 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 17.8 t -86.21 132.18 34.06 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.993 -174.36 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.07 1.27 57.21 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.243 177.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.512 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -85.5 -58.81 2.0 Allowed Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 121.024 -0.608 . . . . 0.0 112.357 -179.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.9 p -95.24 -42.34 8.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.942 0.401 . . . . 0.0 110.46 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.502 ' HA2' ' NH2' ' A' ' 7' ' ' ARG . . . 122.27 11.39 5.69 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.37 -0.919 . . . . 0.0 113.827 174.011 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.35 -155.09 17.74 Favored Glycine 0 N--CA 1.434 -1.466 0 C-N-CA 120.143 -1.027 . . . . 0.0 111.934 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 7' ' ' ARG . 0.6 OUTLIER -102.27 151.64 21.99 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 114.977 -0.611 . . . . 0.0 109.767 176.318 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.744 ' HB ' ' HG2' ' A' ' 6' ' ' LYS . 1.5 mt -99.52 100.0 9.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.062 0.458 . . . . 0.0 110.833 179.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -97.22 -7.05 33.24 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.603 0.716 . . . . 0.0 109.546 177.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.15 146.04 53.79 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.834 -1.075 . . . . 0.0 110.557 179.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -68.35 -31.0 70.09 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.116 0.484 . . . . 0.0 110.621 -179.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.5 ' HA ' ' HB3' ' A' ' 109' ' ' GLU . 11.3 m-30 -104.37 128.44 52.21 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.778 -179.511 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.721 ' HG ' ' HE3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -156.07 175.59 13.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.777 0.322 . . . . 0.0 111.437 -178.616 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.655 HD23 HG23 ' A' ' 105' ' ' ILE . 0.3 OUTLIER -129.73 159.51 36.25 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.534 -178.679 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.461 ' HD2' ' CD1' ' A' ' 27' ' ' TYR . 4.3 m-85 -127.57 126.58 42.38 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 177.073 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -152.28 125.65 8.76 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.884 -0.327 . . . . 0.0 111.258 -178.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 63.29 37.4 11.07 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.178 179.432 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.52 4.61 1.83 Allowed 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.195 -178.374 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -108.36 146.13 33.46 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 173.017 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.961 ' HD2' ' HA ' ' A' ' 6' ' ' LYS . 11.3 m-30 -93.37 156.13 16.97 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -178.161 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.484 ' CD2' HD23 ' A' ' 33' ' ' LEU . 67.9 m95 -141.57 162.61 35.06 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.21 -172.126 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.697 ' HB2' ' HB2' ' A' ' 32' ' ' CYS . 15.1 m80 -88.28 159.1 18.25 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 107.921 -1.141 . . . . 0.0 107.921 167.632 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.45 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 0.5 OUTLIER -60.66 -49.88 75.75 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.864 0.364 . . . . 0.0 110.492 179.424 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 ttp85 -76.72 -19.55 57.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.366 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.697 ' HB2' ' HB2' ' A' ' 29' ' ' HIS . 23.7 m -78.81 -27.81 44.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.742 179.368 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.484 HD23 ' CD2' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -82.32 72.03 9.38 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.657 0.742 . . . . 0.0 109.712 175.408 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.527 ' HG3' ' HA ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -119.33 167.91 11.44 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.213 -176.885 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.525 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 35.9 t -67.85 142.02 56.26 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.862 175.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.9 m -73.26 -10.67 60.01 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.098 0.475 . . . . 0.0 110.519 177.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.37 -46.77 3.05 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.188 -179.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.525 ' HB2' ' HB3' ' A' ' 35' ' ' CYS . 75.7 m -80.61 -33.17 36.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.394 -178.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.527 ' HA ' ' HG3' ' A' ' 34' ' ' LYS . 70.8 mm-40 64.74 20.44 12.13 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.183 -174.126 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -99.79 134.22 43.01 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.276 177.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.665 ' HB3' ' HB2' ' A' ' 44' ' ' ASP . 8.0 tt0 -53.23 123.7 12.54 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.784 -177.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.507 HD13 ' HA ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -71.53 -29.63 64.99 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.35 -179.236 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.52 -0.65 87.69 Favored Glycine 0 CA--C 1.519 0.323 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.382 176.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.665 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . 22.8 t70 -87.06 -16.08 36.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.276 0.56 . . . . 0.0 110.246 179.279 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 11.8 pt -105.81 11.24 8.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.399 0.618 . . . . 0.0 110.413 178.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.35 -147.27 17.87 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 110.801 -0.92 . . . . 0.0 110.801 -176.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.17 100.79 10.37 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 117.149 0.475 . . . . 0.0 110.1 175.073 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.445 ' O ' HD13 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -162.71 140.74 8.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.524 178.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 31.3 p -175.34 147.51 0.88 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.877 0.37 . . . . 0.0 111.134 176.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.422 ' HE2' ' HD3' ' A' ' 59' ' ' ARG . 10.8 m-85 -116.31 141.84 47.63 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.428 173.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.9 m -137.2 102.22 4.76 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.133 0.492 . . . . 0.0 110.722 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.1 mmtm -141.74 136.21 30.54 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.368 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.7 m 70.92 13.3 7.05 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 123.345 0.403 . . . . 0.0 110.701 -174.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 78.7 -0.52 76.72 Favored Glycine 0 N--CA 1.45 -0.393 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -171.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.32 121.47 30.76 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.214 -0.493 . . . . 0.0 109.941 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.2 mp -97.4 113.53 32.1 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.793 178.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.27 175.25 7.18 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.689 -177.213 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.754 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 12.3 p -81.91 177.05 9.07 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.569 174.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.422 ' HD3' ' HE2' ' A' ' 50' ' ' TYR . 0.4 OUTLIER -67.29 -37.93 84.22 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.307 0.575 . . . . 0.0 110.007 177.635 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.93 -44.71 65.57 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.209 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.754 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 3.4 m-20 -69.04 -29.15 67.24 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.744 0.275 . . . . 0.0 111.744 -175.296 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -61.83 -40.9 96.9 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.456 179.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.9 mm -73.39 -17.1 17.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.223 0.535 . . . . 0.0 110.79 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -88.91 -35.87 16.25 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.663 178.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.41 HD11 ' HA ' ' A' ' 65' ' ' LEU . 5.4 tp -91.42 -41.35 10.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.932 -176.123 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -108.56 -42.94 4.41 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.775 0.322 . . . . 0.0 110.445 -178.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 64.29 -124.18 29.26 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 121.107 -0.568 . . . . 0.0 112.514 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 72.9 -57.39 0.63 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.611 0.765 . . . . 0.0 111.783 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.532 ' HB3' ' HB3' ' A' ' 96' ' ' GLU . 4.1 m -115.68 122.7 46.33 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.852 0.358 . . . . 0.0 111.218 -177.255 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -118.96 -8.1 9.87 Favored Glycine 0 N--CA 1.45 -0.418 0 N-CA-C 111.647 -0.581 . . . . 0.0 111.647 178.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 62.2 81.62 0.19 Allowed 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.441 0.696 . . . . 0.0 111.415 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 97.71 -91.24 1.16 Allowed Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 -177.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -110.19 155.77 15.93 Favored Glycine 0 N--CA 1.444 -0.773 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 171.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.04 -53.09 2.49 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 117.14 0.47 . . . . 0.0 110.951 -178.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.91 -48.9 58.24 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.736 -178.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -78.5 -8.93 87.42 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.437 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -85.78 -7.92 58.45 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.493 0.187 . . . . 0.0 110.568 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.4 ttt 60.95 36.82 18.62 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.953 -177.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 102.65 -105.23 2.72 Favored Glycine 0 N--CA 1.445 -0.762 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.319 -174.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.88 -28.73 5.49 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.95 0.405 . . . . 0.0 110.503 177.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 104.53 10.1 34.14 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 111.467 -0.653 . . . . 0.0 111.467 -177.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 95.38 -163.45 24.01 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 111.535 -0.626 . . . . 0.0 111.535 -177.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.45 133.46 35.88 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.855 0.359 . . . . 0.0 110.06 178.362 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 6.3 m -71.62 -18.85 20.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.173 -175.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 3.3 ttm -73.6 -30.34 62.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.831 0.348 . . . . 0.0 110.74 -179.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -76.01 -27.06 17.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.919 0.39 . . . . 0.0 110.305 178.14 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 18.9 t -81.95 -49.93 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.348 178.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 124.58 162.24 11.33 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 -177.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 58.01 77.06 0.42 Allowed Pre-proline 0 CA--C 1.53 0.205 0 CA-C-O 121.077 0.465 . . . . 0.0 111.08 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -81.37 31.49 0.51 Allowed 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 123.235 2.623 . . . . 0.0 111.993 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.35 85.38 7.39 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.941 -178.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.503 HD23 ' HA2' ' A' ' 98' ' ' GLY . 1.2 mt -85.94 149.3 25.29 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.078 178.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.47 46.47 2.13 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.21 0.528 . . . . 0.0 109.656 -179.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 81.4 -129.29 8.94 Favored Glycine 0 N--CA 1.443 -0.879 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.501 -176.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 93.02 -173.53 34.76 Favored Glycine 0 N--CA 1.442 -0.962 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.73 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.532 ' HB3' ' HB3' ' A' ' 69' ' ' SER . 18.0 mt-10 -59.68 -42.14 92.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.981 0.42 . . . . 0.0 110.648 -179.579 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.504 ' HD1' ' HA ' ' A' ' 97' ' ' PHE . 0.0 OUTLIER -145.03 111.15 5.54 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.469 177.932 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.503 ' HA2' HD23 ' A' ' 92' ' ' LEU . . . -102.68 43.91 1.6 Allowed Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 177.132 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 68.42 28.55 6.05 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 123.259 0.624 . . . . 0.0 110.612 -178.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -59.26 -45.77 90.32 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.747 -177.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.8 9.11 44.12 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.999 0.428 . . . . 0.0 110.881 -177.12 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.7 -172.16 2.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.486 -178.087 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.28 44.49 12.46 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.385 179.045 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.34 -16.27 33.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.793 -178.284 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.655 HG23 HD23 ' A' ' 21' ' ' LEU . 11.3 mt -72.04 122.01 23.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.109 0.48 . . . . 0.0 111.074 -179.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 97.9 m -118.69 103.74 9.96 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 172.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.433 ' HD3' ' O ' ' A' ' 107' ' ' ARG . 0.0 OUTLIER -119.71 120.92 38.01 Favored 'General case' 0 C--N 1.319 -0.759 0 O-C-N 121.527 -0.733 . . . . 0.0 111.308 -174.042 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -145.77 101.28 3.53 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.148 174.337 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.71 ' HB2' ' HB2' ' A' ' 112' ' ' GLN . 2.0 mp0 -88.21 154.94 20.03 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.148 -178.029 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -61.02 112.03 1.92 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.872 -176.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 58.27 43.89 19.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.703 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.71 ' HB2' ' HB2' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -116.4 11.4 14.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.198 178.208 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -58.87 -45.29 90.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.79 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -55.79 -39.37 71.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.727 -177.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -87.29 -30.62 20.74 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.837 -178.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -78.09 64.86 3.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.955 0.407 . . . . 0.0 110.899 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 75.6 -3.79 2.51 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.525 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 73.6 -79.37 0.82 Allowed Glycine 0 C--N 1.333 0.371 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 -178.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -125.77 106.38 16.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 170.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -60.1 -42.53 94.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.287 -172.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -128.43 -68.82 0.74 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.136 -0.483 . . . . 0.0 109.882 176.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 117.469 -1.253 . . . . 0.0 107.897 177.116 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.752 0 N-CA-C 111.714 -0.554 . . . . 0.0 111.714 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.69 -58.15 3.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.995 0.426 . . . . 0.0 110.415 179.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.86 128.26 24.36 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.519 177.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.27 113.81 18.72 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 177.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -76.75 151.79 35.89 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.299 0.571 . . . . 0.0 111.645 -174.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.37 -44.36 62.67 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.474 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.614 ' HG2' ' N ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER 66.78 156.76 0.11 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.764 -1.107 . . . . 0.0 111.035 176.848 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.73 ' HB2' HG12 ' A' ' 15' ' ' ILE . 43.9 t -67.23 121.19 15.12 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 120.929 0.395 . . . . 0.0 111.625 -175.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.09 -5.96 59.33 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.286 174.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.897 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -74.24 -45.83 23.48 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.254 179.013 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.3 p -112.35 -88.26 0.54 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 176.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 165.13 69.92 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.679 0 N-CA-C 111.482 -0.647 . . . . 0.0 111.482 178.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 178.58 143.43 5.22 Favored Glycine 0 N--CA 1.432 -1.571 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 -177.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -59.45 122.04 13.0 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.73 HG12 ' HB2' ' A' ' 8' ' ' CYS . 3.1 mt -67.05 116.75 6.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.906 -177.166 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.55 20.1 8.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.258 0.552 . . . . 0.0 110.453 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -100.2 148.68 24.36 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.559 177.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.676 ' HB2' ' HB3' ' A' ' 110' ' ' ASN . 0.1 OUTLIER -91.77 2.79 56.26 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.383 0.611 . . . . 0.0 110.071 178.914 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -123.79 87.56 2.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.312 175.191 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.455 HD22 ' HB ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -105.77 157.95 17.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.284 0.564 . . . . 0.0 111.483 -176.906 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.58 HD21 HG23 ' A' ' 105' ' ' ILE . 0.4 OUTLIER -97.43 152.94 18.45 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.804 -1.089 . . . . 0.0 108.121 171.308 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.565 ' HD2' ' CE1' ' A' ' 27' ' ' TYR . 1.1 m-85 -129.35 126.31 38.63 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.523 ' HB1' HD12 ' A' ' 104' ' ' LEU . . . -152.84 118.6 5.37 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.936 -178.259 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 2.4 mtp 60.05 52.64 5.02 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.199 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 74.38 -40.64 0.45 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.829 0.851 . . . . 0.0 112.677 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.76 156.95 27.24 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.029 0.442 . . . . 0.0 110.372 -178.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.665 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 9.5 m-30 -100.69 157.47 16.66 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.495 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 30.1 m95 -137.0 162.41 33.39 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 -174.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.585 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 16.5 m80 -81.53 155.02 25.96 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 168.008 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.455 ' HA ' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -62.16 -27.79 69.21 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.98 0.419 . . . . 0.0 110.484 179.625 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.62 1.86 41.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.334 178.316 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.897 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 1.8 m -94.31 -30.18 14.66 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 122.231 -0.293 . . . . 0.0 110.882 -179.308 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.526 HD23 HD22 ' A' ' 21' ' ' LEU . 16.2 tp -82.92 82.3 8.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.25 0.548 . . . . 0.0 109.971 175.003 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.818 ' HG3' ' HA ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -134.26 168.65 18.49 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.088 -175.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.673 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 38.3 t -65.13 145.89 55.7 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.286 177.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.95 -17.16 61.05 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.028 0.442 . . . . 0.0 110.466 177.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -111.06 -42.73 3.89 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.317 -179.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.673 ' HB2' ' HB3' ' A' ' 35' ' ' CYS . 86.4 m -76.65 -51.44 11.54 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.08 178.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.818 ' HA ' ' HG3' ' A' ' 34' ' ' LYS . 0.0 OUTLIER 64.56 29.91 12.99 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.594 -176.315 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.17 -155.24 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.652 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.44 ' HB3' ' HB2' ' A' ' 44' ' ' ASP . 16.1 tp60 -96.16 99.85 11.55 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.405 179.459 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.444 HD23 HG21 ' A' ' 56' ' ' ILE . 0.5 OUTLIER -73.29 -3.83 29.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.311 -178.268 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.512 ' HA2' HG23 ' A' ' 47' ' ' THR . . . -121.91 21.74 7.82 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.272 179.175 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.44 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . 16.1 t70 -105.57 -50.69 3.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.116 0.484 . . . . 0.0 110.959 -179.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -94.9 52.78 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.54 -179.025 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 94.5 118.46 3.04 Favored Glycine 0 N--CA 1.446 -0.67 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 -174.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.512 HG23 ' HA2' ' A' ' 43' ' ' GLY . 0.0 OUTLIER -78.98 100.93 7.51 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 122.414 -0.462 . . . . 0.0 110.816 -174.37 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.432 ' HG ' ' C ' ' A' ' 47' ' ' THR . 48.9 m -162.02 111.42 1.5 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.314 177.544 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.477 ' O ' ' HA ' ' A' ' 102' ' ' GLU . 3.1 p -113.1 159.95 18.69 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 176.254 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.636 ' HE2' ' HD3' ' A' ' 59' ' ' ARG . 6.0 m-85 -116.02 118.89 34.15 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.619 0.247 . . . . 0.0 110.764 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.576 ' OG1' HD21 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -90.86 101.71 14.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.734 178.558 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.486 ' HG2' ' O ' ' A' ' 51' ' ' THR . 9.2 mmtm -150.72 141.75 23.02 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 178.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.8 m 61.97 26.92 16.3 Favored 'General case' 0 C--N 1.332 -0.188 0 O-C-N 123.506 0.504 . . . . 0.0 111.533 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.24 18.56 65.25 Favored Glycine 0 CA--C 1.518 0.221 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.073 -178.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.431 ' HG2' ' O ' ' A' ' 52' ' ' LYS . 1.6 ptt? -129.89 170.5 13.83 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -179.284 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.444 HG21 HD23 ' A' ' 42' ' ' LEU . 16.3 mm -120.82 122.44 67.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.396 -178.325 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 mp -122.1 165.2 16.45 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.611 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.658 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 30.5 p -83.29 175.45 9.89 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 172.334 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.636 ' HD3' ' HE2' ' A' ' 50' ' ' TYR . 6.7 tpp180 -63.8 -43.66 95.64 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.547 177.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -62.72 -47.51 83.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.03 0.443 . . . . 0.0 111.253 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.658 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 0.8 OUTLIER -70.47 -32.63 70.24 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.716 -178.681 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -63.92 -45.15 90.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.505 175.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.554 HG12 ' O ' ' A' ' 59' ' ' ARG . 3.5 mm -61.03 -38.42 79.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.166 0.508 . . . . 0.0 110.806 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.498 ' NH1' ' HA ' ' A' ' 61' ' ' ASP . 1.7 mtp-105 -80.5 -0.48 37.67 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.52 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.54 -70.28 0.81 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.81 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -115.93 -21.69 9.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.782 0.325 . . . . 0.0 111.479 -177.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -84.17 45.4 3.48 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.925 -176.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.676 ' HB3' ' HA ' ' A' ' 78' ' ' MET . 24.6 t-20 -73.54 129.95 39.06 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 176.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 1.0 ' HA ' ' HA3' ' A' ' 81' ' ' GLY . 1.5 m -73.81 70.7 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.516 0.675 . . . . 0.0 111.244 -177.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -153.97 95.77 0.16 Allowed Glycine 0 N--CA 1.442 -0.962 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.401 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -76.72 74.81 3.38 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.046 0.45 . . . . 0.0 110.684 -178.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 159.43 -148.89 18.29 Favored Glycine 0 N--CA 1.445 -0.757 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.483 -177.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -134.08 42.29 1.38 Allowed Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.135 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.37 -38.74 65.58 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.982 0.42 . . . . 0.0 111.077 -178.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -97.67 -128.07 5.89 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.078 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -111.86 -91.37 2.01 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.289 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -90.96 68.67 6.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.02 0.438 . . . . 0.0 110.596 178.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.676 ' HA ' ' HB3' ' A' ' 68' ' ' ASN . 10.1 mtt -83.0 166.56 18.7 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 177.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -175.33 -108.22 0.22 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 119.743 -1.218 . . . . 0.0 113.372 -178.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.8 89.39 3.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.984 0.421 . . . . 0.0 111.736 -174.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 1.0 ' HA3' ' HA ' ' A' ' 69' ' ' SER . . . -173.0 179.82 44.17 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.422 178.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.651 ' HA2' ' HA3' ' A' ' 94' ' ' GLY . . . -105.2 -126.22 5.72 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 111.448 -0.661 . . . . 0.0 111.448 177.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.489 ' HB3' ' HB ' ' A' ' 86' ' ' VAL . 14.6 t70 -174.25 165.78 4.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.791 0.296 . . . . 0.0 111.141 178.414 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.431 ' H ' HG21 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -72.86 -27.19 24.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.912 177.27 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -165.17 67.09 0.13 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.23 179.073 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.489 ' HB ' ' HB3' ' A' ' 83' ' ' ASP . 7.7 p -77.69 120.77 28.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.431 0.634 . . . . 0.0 110.679 -178.51 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 18.6 m -112.05 171.28 3.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.4 -178.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 114.13 -113.36 3.03 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.623 -0.798 . . . . 0.0 111.295 -177.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -153.11 73.85 6.92 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-O 121.043 0.449 . . . . 0.0 110.305 175.139 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -84.12 167.04 12.6 Favored 'Trans proline' 0 N--CA 1.456 -0.701 0 C-N-CA 123.191 2.594 . . . . 0.0 111.686 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.03 -24.3 55.22 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.062 0.458 . . . . 0.0 111.316 -178.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.521 ' HB3' ' H ' ' A' ' 93' ' ' MET . 5.2 mt -163.48 -135.72 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 178.456 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.547 ' HG2' ' O ' ' A' ' 93' ' ' MET . 0.0 OUTLIER -78.78 71.06 5.22 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 169.312 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.651 ' HA3' ' HA2' ' A' ' 82' ' ' GLY . . . 88.18 -66.36 3.29 Favored Glycine 0 N--CA 1.443 -0.872 0 CA-C-N 114.594 -1.184 . . . . 0.0 110.279 -166.155 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.08 -10.6 73.51 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 121.099 -0.572 . . . . 0.0 112.782 173.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.482 ' HB2' ' H ' ' A' ' 81' ' ' GLY . 5.3 mm-40 -79.11 -7.79 58.45 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.8 0.333 . . . . 0.0 111.296 -177.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.421 ' CD2' ' HA2' ' A' ' 81' ' ' GLY . 0.1 OUTLIER -82.65 3.88 27.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.904 0.383 . . . . 0.0 111.179 178.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -98.61 72.57 0.57 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.625 177.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -93.86 124.29 37.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.929 0.395 . . . . 0.0 110.79 -178.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -86.89 1.54 52.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.797 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.74 3.88 10.81 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 -179.344 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.599 ' HB3' ' CE1' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -100.9 172.64 6.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.693 179.349 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 56.85 45.5 21.43 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.744 175.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.576 HD21 ' OG1' ' A' ' 51' ' ' THR . 0.4 OUTLIER -98.61 11.41 38.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.561 178.586 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.58 HG23 HD21 ' A' ' 21' ' ' LEU . 1.6 mt -74.79 102.55 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.825 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.401 ' HB ' ' HB2' ' A' ' 22' ' ' TYR . 60.6 m -105.24 115.07 29.64 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 173.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.29 112.14 10.17 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-O 121.159 0.504 . . . . 0.0 110.738 -172.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.1 mp -128.21 161.94 28.14 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.13 176.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.676 ' HG2' ' HB2' ' A' ' 112' ' ' GLN . 0.0 OUTLIER -134.0 162.18 32.77 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.136 -177.102 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.922 ' HA ' ' HB3' ' A' ' 114' ' ' ASP . 0.2 OUTLIER -66.04 -19.28 65.8 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.422 0.63 . . . . 0.0 109.901 176.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.33 0.42 49.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.121 177.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.676 ' HB2' ' HG2' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -103.02 -100.79 0.29 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.657 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.428 ' H ' ' HB3' ' A' ' 112' ' ' GLN . 0.1 OUTLIER -96.86 -21.01 17.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.784 0.326 . . . . 0.0 111.109 -179.303 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.922 ' HB3' ' HA ' ' A' ' 110' ' ' ASN . 2.0 t0 -72.16 178.64 3.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.648 -179.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.424 ' O ' ' HB2' ' A' ' 110' ' ' ASN . . . -100.25 170.6 8.33 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.644 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.721 ' HA ' HD21 ' A' ' 110' ' ' ASN . . . -85.07 22.11 1.49 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.322 0.582 . . . . 0.0 110.763 177.025 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -99.18 36.54 1.7 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.045 177.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 77.09 -93.47 1.08 Allowed Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.844 -0.694 . . . . 0.0 111.702 -176.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.71 113.27 26.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 176.209 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -116.63 -31.35 5.54 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.966 0.413 . . . . 0.0 110.313 -178.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -78.91 128.42 33.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.139 177.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.222 0 CA-C-O 118.548 -0.739 . . . . 0.0 111.217 -178.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.764 0 N-CA-C 111.883 -0.487 . . . . 0.0 111.883 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.96 11.89 8.35 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.824 0.345 . . . . 0.0 110.439 -178.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.503 ' HA ' HD22 ' A' ' 3' ' ' LEU . 0.2 OUTLIER 57.32 43.72 22.97 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.489 -178.262 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.9 m -85.04 -5.64 59.34 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.868 -176.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -82.78 169.8 15.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.092 175.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.768 ' HD3' ' HB3' ' A' ' 17' ' ' ASP . 4.3 mptt -92.97 -13.38 28.85 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.385 -178.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.664 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 0.0 OUTLIER 70.13 107.6 0.06 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.855 173.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.61 ' HB2' HG12 ' A' ' 15' ' ' ILE . 12.5 t -74.01 156.04 37.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.604 -1.18 . . . . 0.0 111.061 -176.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -114.59 12.5 17.27 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.631 174.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.644 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -113.28 -39.12 1.16 Allowed Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.435 -0.888 . . . . 0.0 113.317 -176.037 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.418 ' SG ' ' N ' ' A' ' 12' ' ' GLY . 26.5 p -122.39 -120.32 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.024 0.44 . . . . 0.0 111.651 -175.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.418 ' N ' ' SG ' ' A' ' 11' ' ' CYS . . . -84.3 -39.99 8.78 Favored Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.908 179.003 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 135.71 -10.64 4.28 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.271 -0.966 . . . . 0.0 113.645 176.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.66 81.41 8.64 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 117.048 0.424 . . . . 0.0 110.716 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.61 HG12 ' HB2' ' A' ' 8' ' ' CYS . 2.6 mt -68.32 153.85 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.667 178.171 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.99 74.49 10.52 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 165.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.768 ' HB3' ' HD3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -61.88 -6.93 3.1 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 114.669 -1.15 . . . . 0.0 112.245 -166.809 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.489 ' HA ' ' HB1' ' A' ' 116' ' ' ALA . 0.0 OUTLIER -65.26 -12.22 49.33 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 172.363 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.593 ' HA ' ' HB2' ' A' ' 109' ' ' GLU . 12.4 m-85 -160.04 67.86 0.37 Allowed 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.894 -177.026 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.627 HD22 ' HG3' ' A' ' 109' ' ' GLU . 0.1 OUTLIER -107.15 168.99 8.83 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-O 121.421 0.629 . . . . 0.0 112.131 -175.391 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.797 HD23 ' HG ' ' A' ' 33' ' ' LEU . 1.0 OUTLIER -118.31 148.9 42.0 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.402 -179.551 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.585 ' HD2' HG23 ' A' ' 106' ' ' THR . 3.1 m-85 -118.55 99.55 6.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.054 177.191 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.573 ' HB3' HD11 ' A' ' 104' ' ' LEU . . . -135.69 142.32 45.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.709 0.29 . . . . 0.0 111.386 -177.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.7 mtt 62.18 30.68 17.74 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.12 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 64.2 16.08 9.8 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.357 -176.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -127.18 164.09 22.42 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 176.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.515 ' HD2' ' O ' ' A' ' 6' ' ' LYS . 18.9 m-30 -101.68 153.04 20.13 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -179.225 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.593 ' CD2' HD23 ' A' ' 33' ' ' LEU . 87.5 m95 -144.12 171.94 13.59 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.85 -167.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.576 ' HB2' ' HB2' ' A' ' 32' ' ' CYS . 1.5 m80 -94.67 170.5 9.41 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.333 -1.303 . . . . 0.0 110.087 170.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -36.65 78.58 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.518 0.675 . . . . 0.0 110.11 172.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.414 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -86.36 -31.72 21.35 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.153 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.644 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 93.0 m -78.77 -31.05 45.96 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 111.505 0.187 . . . . 0.0 111.505 -174.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.797 ' HG ' HD23 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -80.75 75.5 7.66 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 170.648 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.17 160.78 21.5 Favored 'General case' 0 CA--C 1.501 -0.922 0 CA-C-N 114.869 -1.06 . . . . 0.0 111.658 -171.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.468 ' HB2' ' H ' ' A' ' 39' ' ' GLN . 11.0 m -63.48 164.52 9.2 Favored 'General case' 0 N--CA 1.434 -1.252 0 CA-C-N 112.867 -1.97 . . . . 0.0 111.889 178.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.94 -19.34 23.39 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.329 176.274 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.61 -62.76 1.55 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.965 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.2 m -58.9 -40.59 84.92 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.047 178.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.468 ' H ' ' HB2' ' A' ' 35' ' ' CYS . 62.0 mt-30 48.64 40.02 14.72 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.59 0.756 . . . . 0.0 111.677 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -91.11 -149.87 0.23 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.478 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.86 64.77 2.07 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 175.214 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.604 ' HG ' HD13 ' A' ' 105' ' ' ILE . 41.0 tp -60.16 -34.08 73.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.639 -177.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.461 ' O ' ' HG3' ' A' ' 107' ' ' ARG . . . -78.84 15.61 9.87 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.997 -0.62 . . . . 0.0 113.494 179.284 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -133.33 10.41 4.1 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 117.218 0.509 . . . . 0.0 110.965 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.529 HG12 ' O ' ' A' ' 42' ' ' LEU . 23.4 pt -92.92 -28.21 4.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.842 0.353 . . . . 0.0 111.215 -179.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 96.18 -29.48 10.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.874 -0.679 . . . . 0.0 113.027 176.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.567 ' O ' HD11 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -78.51 148.87 33.27 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.499 0.19 . . . . 0.0 110.649 -179.368 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.533 ' HA ' ' HB ' ' A' ' 105' ' ' ILE . 1.3 m -77.25 139.09 39.76 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.899 0.381 . . . . 0.0 110.879 -177.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.502 ' HB2' ' O ' ' A' ' 57' ' ' LEU . 1.4 p -95.03 -170.61 2.23 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.667 -178.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.471 ' CD1' ' HB3' ' A' ' 101' ' ' ASP . 0.6 OUTLIER -129.83 143.96 51.07 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.37 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.25 125.02 53.38 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.874 0.369 . . . . 0.0 111.502 -177.133 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.438 ' HG3' ' CE1' ' A' ' 62' ' ' TYR . 19.6 mmtt -149.61 146.47 27.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.081 178.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.8 m 60.28 22.37 11.8 Favored 'General case' 0 C--N 1.332 -0.168 0 O-C-N 123.469 0.481 . . . . 0.0 111.106 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.38 -2.39 45.98 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.9 -0.666 . . . . 0.0 112.232 -176.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 6.2 mtm -93.99 170.0 9.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.251 0.548 . . . . 0.0 110.498 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.8 mt -110.63 118.38 57.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.057 177.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.504 ' HB3' ' HB3' ' A' ' 61' ' ' ASP . 1.1 mp -124.5 162.39 24.08 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.882 -178.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.45 ' SG ' ' N ' ' A' ' 61' ' ' ASP . 14.1 p -81.57 176.59 9.53 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 169.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.652 ' O ' HG12 ' A' ' 63' ' ' ILE . 4.2 mmm-85 -71.27 -31.63 67.73 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 175.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.471 ' O ' ' HD3' ' A' ' 64' ' ' ARG . 55.8 t30 -62.69 -50.11 72.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.591 173.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.504 ' HB3' ' HB3' ' A' ' 57' ' ' LEU . 1.4 m-20 -55.27 -46.68 76.13 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.224 176.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.438 ' CE1' ' HG3' ' A' ' 52' ' ' LYS . 28.1 t80 -54.87 -45.83 74.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.403 179.119 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.652 HG12 ' O ' ' A' ' 59' ' ' ARG . 21.4 mm -68.49 -25.92 32.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.972 0.415 . . . . 0.0 111.274 -178.067 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.471 ' HD3' ' O ' ' A' ' 60' ' ' ASN . 2.5 mpp_? -82.37 -35.17 28.02 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.89 0.376 . . . . 0.0 110.941 178.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 65' ' ' LEU . 3.5 tp -90.47 -44.46 9.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.878 -175.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -130.31 39.99 3.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.948 0.404 . . . . 0.0 110.349 -176.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.409 ' HA3' ' O ' ' A' ' 63' ' ' ILE . . . -79.03 46.37 2.94 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 121.088 -0.577 . . . . 0.0 113.191 -176.46 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -82.71 114.23 20.92 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 175.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.8 m 61.94 46.02 7.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.429 0.633 . . . . 0.0 110.633 -176.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.577 ' HA2' ' CD1' ' A' ' 97' ' ' PHE . . . -88.66 76.33 1.89 Allowed Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.034 179.03 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.41 -54.62 22.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.729 0.3 . . . . 0.0 110.851 -177.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -144.61 -59.35 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.277 178.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 130.09 46.3 0.16 Allowed Glycine 0 N--CA 1.443 -0.846 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.26 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.3 m -66.35 134.73 53.19 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.887 0.375 . . . . 0.0 110.954 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 178.3 157.52 19.17 Favored Glycine 0 N--CA 1.449 -0.482 0 N-CA-C 111.697 -0.561 . . . . 0.0 111.697 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -160.89 20.99 0.22 Allowed Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.475 -0.869 . . . . 0.0 112.731 -178.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -73.54 131.79 42.13 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 10.9 tpt -79.99 70.08 6.49 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.244 0.545 . . . . 0.0 110.086 179.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 133.15 130.78 3.1 Favored Glycine 0 N--CA 1.442 -0.914 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 -174.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.773 ' HG ' HD12 ' A' ' 104' ' ' LEU . 0.1 OUTLIER -68.42 99.66 0.98 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.271 0.557 . . . . 0.0 111.075 -174.606 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -178.15 81.14 0.06 OUTLIER Glycine 0 N--CA 1.444 -0.789 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.853 -177.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.594 ' HA3' ' HB2' ' A' ' 100' ' ' GLU . . . -115.59 84.96 0.38 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.251 -178.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -102.86 147.13 27.28 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 178.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 6.5 t -81.11 76.07 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.408 0.623 . . . . 0.0 109.878 177.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.7 tmm? -135.0 -158.85 0.91 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.679 -177.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 11.6 t -80.47 91.12 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 175.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.0 p -144.0 -19.44 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.927 -174.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 97.48 38.19 4.3 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.585 -178.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.433 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 0.3 OUTLIER -98.59 140.13 21.6 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-O 120.535 0.207 . . . . 0.0 110.469 -179.6 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 89' ' ' GLU . 12.5 Cg_exo -70.18 173.61 11.09 Favored 'Trans proline' 0 N--CA 1.46 -0.455 0 C-N-CA 122.982 2.455 . . . . 0.0 111.851 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.9 m -66.57 131.6 46.36 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.683 178.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.4 mt -68.24 131.27 45.06 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.285 -179.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.65 -43.41 63.24 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.582 -175.294 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 109.8 -47.64 1.02 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.446 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -72.42 -44.84 40.47 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.907 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -98.86 124.75 43.98 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 177.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.577 ' CD1' ' HA2' ' A' ' 70' ' ' GLY . 9.4 p90 -63.81 -37.48 87.52 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.131 0.491 . . . . 0.0 110.836 -176.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 46.29 53.98 8.95 Favored Glycine 0 C--N 1.319 -0.402 0 CA-C-N 114.48 -1.236 . . . . 0.0 113.239 175.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -74.98 117.35 16.73 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.793 0.33 . . . . 0.0 110.366 -179.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.594 ' HB2' ' HA3' ' A' ' 82' ' ' GLY . 67.1 mm-40 -79.06 43.51 0.52 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.119 -178.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.471 ' HB3' ' CD1' ' A' ' 50' ' ' TYR . 0.5 OUTLIER -99.65 33.06 2.62 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.49 177.886 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.73 177.32 8.41 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.796 -1.093 . . . . 0.0 112.142 -174.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.43 29.05 16.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 114.827 -1.079 . . . . 0.0 112.081 177.372 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.773 HD12 ' HG ' ' A' ' 80' ' ' SER . 38.1 tp -66.93 -45.76 76.88 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 176.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.642 ' HA ' HD22 ' A' ' 21' ' ' LEU . 37.5 mt -82.99 124.13 39.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.454 0.645 . . . . 0.0 110.371 174.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.585 HG23 ' HD2' ' A' ' 22' ' ' TYR . 88.3 m -131.18 86.15 2.34 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 175.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.461 ' HG3' ' O ' ' A' ' 43' ' ' GLY . 0.0 OUTLIER -119.5 96.86 5.38 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.907 -172.777 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.547 ' HB3' ' HG2' ' A' ' 112' ' ' GLN . 0.0 OUTLIER -146.34 102.3 3.58 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.575 174.147 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.627 ' HG3' HD22 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -143.53 134.33 25.25 Favored 'General case' 0 C--O 1.21 -1.018 0 N-CA-C 112.176 0.435 . . . . 0.0 112.176 178.668 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 172.5 -48.12 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 107.416 -1.328 . . . . 0.0 107.416 173.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.4 31.27 1.35 Allowed 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 113.592 -1.64 . . . . 0.0 108.473 170.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.547 ' HG2' ' HB3' ' A' ' 108' ' ' LEU . 2.2 tp60 -92.5 -81.52 0.34 Allowed 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.521 -176.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.529 ' HD1' ' HA ' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -87.77 -35.26 17.97 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 175.671 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.431 ' HB2' ' HZ3' ' A' ' 6' ' ' LYS . 21.4 t0 -127.74 156.36 42.56 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.143 175.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -98.72 54.39 1.03 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 176.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.489 ' HB1' ' HA ' ' A' ' 18' ' ' ARG . . . -99.53 127.48 45.61 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.519 -176.131 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -123.95 127.54 48.11 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.64 177.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -99.48 -119.17 4.22 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.748 -175.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 11.3 pt -84.3 6.13 2.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.801 0.334 . . . . 0.0 111.424 -177.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.9 25.19 11.38 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.385 0.612 . . . . 0.0 110.072 178.323 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -83.38 -53.26 5.86 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.632 -178.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.693 -0.67 . . . . 0.0 109.806 179.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.624 0 N-CA-C 111.73 -0.548 . . . . 0.0 111.73 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.99 -26.74 66.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.993 0.425 . . . . 0.0 111.157 -178.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.2 98.82 5.43 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.901 178.083 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.8 m -82.09 50.87 1.65 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.825 0.345 . . . . 0.0 111.557 -176.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.852 ' HE3' ' HE3' ' A' ' 14' ' ' LYS . 5.0 p-90 -95.41 146.88 24.07 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.106 176.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.512 ' HA ' ' CD2' ' A' ' 27' ' ' TYR . 1.3 mptp? -94.73 105.34 17.28 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.054 -176.246 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -113.12 142.46 45.73 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.137 176.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.672 ' HB2' HG12 ' A' ' 15' ' ' ILE . 38.5 t -89.62 137.89 31.94 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.125 -176.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -102.44 3.88 38.19 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.189 176.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.839 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -84.84 -43.42 6.79 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.042 -178.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.8 p -106.42 -73.78 0.67 Allowed 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 175.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 151.89 51.1 0.01 OUTLIER Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.542 -0.837 . . . . 0.0 113.112 177.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -156.13 -149.8 5.45 Favored Glycine 0 N--CA 1.436 -1.345 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.569 176.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.852 ' HE3' ' HE3' ' A' ' 5' ' ' TRP . 19.3 tttt -100.73 150.16 23.06 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 176.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.672 HG12 ' HB2' ' A' ' 8' ' ' CYS . 2.1 mt -94.1 105.85 17.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 120.978 0.418 . . . . 0.0 110.653 179.156 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.5 -5.9 53.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.241 0.543 . . . . 0.0 110.051 178.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.89 145.89 37.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.373 179.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.87 -45.15 71.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.542 -178.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -89.78 97.6 11.29 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.795 -177.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.6 HD21 ' HB ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -101.78 166.64 10.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.998 177.885 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.629 HD21 ' HG ' ' A' ' 33' ' ' LEU . 0.4 OUTLIER -119.07 140.53 49.93 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.858 173.886 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.402 ' HB2' ' HB ' ' A' ' 106' ' ' THR . 3.2 m-85 -113.2 113.59 25.57 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -179.011 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -152.67 140.61 20.17 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 121.014 -0.274 . . . . 0.0 111.575 -177.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 6.1 mtm 62.63 32.88 16.11 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.107 179.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 64.47 16.8 10.47 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.997 -178.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -130.25 165.92 21.42 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.959 177.612 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.512 ' CD2' ' HA ' ' A' ' 6' ' ' LYS . 2.7 m-85 -110.36 152.42 26.25 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.89 -177.427 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -139.93 164.54 29.73 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.765 -171.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.583 ' HB2' ' HB2' ' A' ' 32' ' ' CYS . 8.3 m80 -79.83 172.0 14.36 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 170.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.34 -44.81 82.26 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 120.881 0.372 . . . . 0.0 110.573 176.12 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.1 ttm105 -92.51 1.95 56.96 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.839 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 42.8 m -95.41 -20.62 18.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 122.075 -0.391 . . . . 0.0 110.609 178.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.629 ' HG ' HD21 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -87.61 76.45 8.9 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 122.084 0.945 . . . . 0.0 109.499 173.896 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.426 ' HE2' ' O ' ' A' ' 32' ' ' CYS . 0.0 OUTLIER -128.65 164.02 23.81 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 114.367 -1.288 . . . . 0.0 109.672 -176.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 35.0 t -60.48 147.45 41.15 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.967 0.413 . . . . 0.0 110.798 -179.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.1 m -77.93 -12.11 59.95 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.071 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.41 -46.57 2.87 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.937 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 70.0 m -79.53 -30.95 42.01 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -178.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.423 ' HA ' ' HG3' ' A' ' 34' ' ' LYS . 18.1 mm-40 60.92 29.53 19.07 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.331 0.586 . . . . 0.0 110.42 -174.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.49 138.41 37.58 Favored 'General case' 0 N--CA 1.438 -1.066 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.395 176.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.744 ' HB3' ' HB2' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -57.13 114.99 2.38 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 114.948 -1.023 . . . . 0.0 110.229 -177.183 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.423 ' O ' HG12 ' A' ' 45' ' ' ILE . 19.6 mt -79.09 -29.87 43.55 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.384 -174.51 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.38 -7.87 79.08 Favored Glycine 0 C--N 1.329 0.162 0 C-N-CA 120.61 -0.805 . . . . 0.0 111.771 176.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.744 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . 6.8 t0 -69.79 -26.08 64.1 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 122.89 0.476 . . . . 0.0 110.668 178.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.423 HG12 ' O ' ' A' ' 42' ' ' LEU . 17.2 pt -100.21 -1.78 9.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.661 -179.201 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 123.72 -122.82 5.02 Favored Glycine 0 N--CA 1.445 -0.726 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.53 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.499 ' HA ' HD12 ' A' ' 105' ' ' ILE . 0.1 OUTLIER -128.23 103.25 7.08 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-O 121.636 0.731 . . . . 0.0 109.933 173.884 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.552 ' HA ' ' O ' ' A' ' 102' ' ' GLU . 4.4 m -161.04 111.24 1.71 Allowed 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.54 179.523 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.34 124.27 7.37 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 177.335 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -84.12 112.1 19.92 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 120.995 0.426 . . . . 0.0 111.061 -173.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.611 HG22 HD23 ' A' ' 104' ' ' LEU . 0.2 OUTLIER -85.99 100.24 12.0 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.183 -176.07 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.925 ' HE2' HD12 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -157.4 137.32 12.45 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.904 -1.044 . . . . 0.0 108.314 176.205 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 64.98 14.19 9.17 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 123.39 0.431 . . . . 0.0 111.253 -177.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 61.77 21.2 60.54 Favored Glycine 0 C--N 1.333 0.41 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 -173.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.552 ' HB3' ' NZ ' ' A' ' 52' ' ' LYS . 10.9 ttm -113.14 117.32 31.62 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.533 -0.334 . . . . 0.0 110.385 -173.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -77.22 114.3 17.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.98 -179.197 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.925 HD12 ' HE2' ' A' ' 52' ' ' LYS . 87.5 mt -125.83 166.09 17.5 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.309 177.235 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 7.5 p -81.4 -177.19 6.39 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.331 175.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.6 mtt85 -80.78 -10.58 59.71 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.488 176.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -93.76 -49.18 5.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.816 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -63.66 -35.69 81.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.687 -177.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -55.2 -41.87 72.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.373 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.552 HG23 ' HB2' ' A' ' 96' ' ' GLU . 23.1 mm -64.37 -34.7 71.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.759 -176.25 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -85.68 -31.49 22.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.46 -177.479 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 65.3 mt -91.72 -39.03 12.05 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -174.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -125.23 -41.82 2.04 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -172.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -78.88 -174.79 45.52 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.872 -175.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -86.77 114.22 23.26 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 175.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.4 m -76.58 68.62 2.9 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.25 0.548 . . . . 0.0 111.366 -175.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -127.99 -139.56 4.86 Favored Glycine 0 N--CA 1.448 -0.548 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.433 178.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -156.28 134.05 11.05 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.775 0.321 . . . . 0.0 110.623 178.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -99.75 -16.07 29.77 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.825 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.72 -84.92 1.38 Allowed Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 121.015 -0.612 . . . . 0.0 111.824 -179.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.36 -52.35 19.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.639 0.257 . . . . 0.0 110.383 177.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.498 ' HA2' ' HA3' ' A' ' 95' ' ' GLY . . . 169.69 -28.11 0.13 Allowed Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.158 -1.02 . . . . 0.0 113.262 176.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.88 -130.98 39.78 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.4 -176.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -84.97 82.37 8.48 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 174.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.49 98.06 7.78 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.143 0.497 . . . . 0.0 111.014 -176.605 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.79 ' HA3' ' HG2' ' A' ' 100' ' ' GLU . . . -92.49 0.02 70.49 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.698 -0.763 . . . . 0.0 111.37 177.165 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.603 ' HB3' ' HG2' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -81.84 151.21 27.46 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.217 -0.492 . . . . 0.0 111.053 -178.575 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 172.69 18.7 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.888 179.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.417 ' O ' HG21 ' A' ' 47' ' ' THR . . . -82.64 16.44 25.54 Favored Glycine 0 CA--C 1.521 0.444 0 C-N-CA 120.88 -0.676 . . . . 0.0 113.461 -178.523 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.51 ' HB3' ' HB ' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -75.19 64.5 1.44 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 117.031 0.415 . . . . 0.0 110.188 178.11 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 31.3 m -80.71 -6.87 10.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.526 -175.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -126.46 27.51 6.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.741 0.782 . . . . 0.0 109.801 177.083 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.645 HG11 ' H ' ' A' ' 88' ' ' GLY . 2.1 p -81.17 170.87 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.785 177.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.7 p -53.5 -33.7 22.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-O 120.822 0.344 . . . . 0.0 111.5 -177.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.645 ' H ' HG11 ' A' ' 86' ' ' VAL . . . 122.28 -44.54 1.32 Allowed Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.815 -0.707 . . . . 0.0 111.651 178.131 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.505 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 1.1 mp0 -64.54 138.56 97.49 Favored Pre-proline 0 C--N 1.323 -0.57 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 178.009 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.505 ' HD3' ' HA ' ' A' ' 89' ' ' GLU . 12.4 Cg_exo -75.34 29.19 0.37 Allowed 'Trans proline' 0 CA--C 1.529 0.27 0 C-N-CA 123.208 2.606 . . . . 0.0 113.281 -175.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.26 51.93 2.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.023 0.44 . . . . 0.0 110.746 178.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.0 mp -74.01 -52.15 13.65 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.434 -179.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 54.51 52.98 11.38 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.677 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -127.81 55.63 0.75 Allowed Glycine 0 N--CA 1.445 -0.727 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.46 -179.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.498 ' HA3' ' HA2' ' A' ' 75' ' ' GLY . . . -102.02 13.17 57.52 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.272 -178.57 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.552 ' HB2' HG23 ' A' ' 63' ' ' ILE . 0.1 OUTLIER -68.64 -44.38 74.29 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.842 0.353 . . . . 0.0 110.516 179.731 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -162.42 71.92 0.33 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.066 177.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.15 72.48 2.29 Favored Glycine 0 N--CA 1.449 -0.5 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.588 -178.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -66.31 142.24 57.72 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.79 ' HG2' ' HA3' ' A' ' 79' ' ' GLY . 0.7 OUTLIER -87.11 49.02 1.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.174 -176.696 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -132.84 35.64 3.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.391 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.603 ' HG2' ' HB3' ' A' ' 80' ' ' SER . 0.0 OUTLIER -100.75 -19.36 16.05 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.304 -177.823 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.4 ' HA ' ' HD3' ' A' ' 103' ' ' ARG . 0.2 OUTLIER -77.69 52.41 1.0 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.439 0.637 . . . . 0.0 111.124 -179.022 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.611 HD23 HG22 ' A' ' 51' ' ' THR . 16.1 tp -93.39 -22.14 19.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.663 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.499 HD12 ' HA ' ' A' ' 47' ' ' THR . 54.6 mt -76.61 105.71 5.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.211 0.529 . . . . 0.0 110.615 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.402 ' HB ' ' HB2' ' A' ' 22' ' ' TYR . 36.2 m -100.9 106.01 17.33 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.232 176.536 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.3 111.79 19.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.054 0.455 . . . . 0.0 109.991 -177.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 11.7 mt -145.62 100.69 3.47 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.889 177.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.607 ' HG2' ' HA ' ' A' ' 112' ' ' GLN . 21.3 pm0 -87.51 160.94 18.06 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.976 179.29 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -71.33 111.57 6.77 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 176.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 1.9 m 69.35 80.27 0.19 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.467 -170.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.607 ' HA ' ' HG2' ' A' ' 109' ' ' GLU . 7.9 mt-30 -54.29 136.61 43.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.634 -174.088 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 11.9 m-30 -96.8 127.55 42.89 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.404 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -74.82 -45.11 45.55 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 174.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -101.37 104.14 15.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.916 -1.038 . . . . 0.0 109.354 171.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -76.46 -25.66 54.59 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.692 -174.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -71.2 -17.38 62.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.895 0.378 . . . . 0.0 110.621 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -118.87 -172.46 15.37 Favored Glycine 0 N--CA 1.446 -0.687 0 N-CA-C 111.365 -0.694 . . . . 0.0 111.365 174.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -100.74 83.65 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 175.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -73.77 77.88 1.58 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.49 -174.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -172.24 -38.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.518 178.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 . . . . . 0 C--O 1.245 0.862 0 CA-C-O 118.16 -0.924 . . . . 0.0 109.894 176.924 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.887 0 N-CA-C 111.721 -0.552 . . . . 0.0 111.721 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.35 1.64 5.11 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.996 0.427 . . . . 0.0 110.686 179.145 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.484 ' HB3' ' H ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -104.1 -139.66 0.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.734 177.797 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.484 ' H ' ' HB3' ' A' ' 3' ' ' LEU . 1.0 OUTLIER 52.88 -148.76 0.42 Allowed 'General case' 0 C--O 1.234 0.249 0 O-C-N 123.341 0.4 . . . . 0.0 111.153 178.166 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 10.7 p-90 -124.49 122.4 37.52 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 174.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.504 ' HA ' ' HD2' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -67.61 108.75 3.0 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.368 -174.675 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.523 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -123.58 130.19 52.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.543 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.7 t -77.33 145.76 37.16 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.197 -0.911 . . . . 0.0 111.478 -176.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.419 ' HA ' ' NH2' ' A' ' 7' ' ' ARG . . . -109.55 8.84 25.25 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.194 172.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.629 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -102.4 -44.77 1.79 Allowed Glycine 0 N--CA 1.444 -0.799 0 CA-C-N 115.397 -0.82 . . . . 0.0 112.592 -177.217 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.6 p -110.34 -95.19 0.42 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.985 0.392 . . . . 0.0 111.13 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -105.54 -91.67 2.23 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 121.035 -0.602 . . . . 0.0 112.858 -178.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -151.07 -97.16 0.16 Allowed Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.73 -177.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.551 ' HD3' ' HB2' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -54.17 114.99 1.82 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.924 0.392 . . . . 0.0 111.853 -177.104 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.528 HG23 ' HB2' ' A' ' 17' ' ' ASP . 10.2 mt -73.45 -71.85 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.824 -179.689 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.551 ' HB2' ' HD3' ' A' ' 14' ' ' LYS . . . 62.6 20.48 12.04 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 123.555 0.534 . . . . 0.0 111.458 -179.038 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.528 ' HB2' HG23 ' A' ' 15' ' ' ILE . 0.5 OUTLIER -100.6 155.9 17.61 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.755 175.698 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 ttm105 -75.89 -40.13 55.06 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 176.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.0 m-30 -91.66 113.5 25.78 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.162 178.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.556 HD11 ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -151.66 168.59 24.53 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.492 177.897 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.595 HD13 ' HA3' ' A' ' 43' ' ' GLY . 0.2 OUTLIER -128.2 154.48 45.77 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.0 0.429 . . . . 0.0 110.942 -177.35 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.459 ' HD2' ' CD1' ' A' ' 27' ' ' TYR . 2.8 m-85 -121.35 114.47 21.37 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.052 177.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -146.38 130.63 17.52 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.818 0.342 . . . . 0.0 111.423 -176.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 61.26 39.09 16.03 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.233 178.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 59.32 25.17 13.78 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.306 -178.138 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.91 148.01 52.29 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.393 175.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.504 ' HD2' ' HA ' ' A' ' 6' ' ' LYS . 11.6 m-30 -97.99 149.2 22.7 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 -177.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.46 ' CD2' HD22 ' A' ' 33' ' ' LEU . 35.2 m95 -142.07 175.09 10.01 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.846 -172.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.597 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 15.9 m80 -94.16 166.51 12.09 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 166.105 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -42.73 98.84 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.912 0.386 . . . . 0.0 110.838 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.6 tpp85 -84.16 -20.17 32.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.214 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.629 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 57.8 m -77.95 -24.45 48.19 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.637 HD12 HD11 ' A' ' 105' ' ' ILE . 0.5 OUTLIER -85.36 87.58 7.4 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 172.426 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.536 ' HG3' ' HA ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -132.28 170.69 14.7 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.974 -175.437 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 41.9 t -60.18 145.94 45.24 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.258 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.1 m -84.01 -8.98 59.0 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.376 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.3 m -111.15 -43.21 3.77 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.372 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.5 m -100.38 -17.44 17.22 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -177.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.536 ' HA ' ' HG3' ' A' ' 34' ' ' LYS . 87.2 mm-40 63.61 22.15 13.03 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.51 0.671 . . . . 0.0 109.287 -170.455 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.26 122.7 23.26 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.118 -179.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.682 ' HG3' ' HB3' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -48.57 116.67 1.68 Allowed 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 114.365 -1.289 . . . . 0.0 111.096 -179.748 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.51 HD22 ' HA ' ' A' ' 58' ' ' CYS . 55.9 mt -108.08 -39.94 5.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.663 -175.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.595 ' HA3' HD13 ' A' ' 21' ' ' LEU . . . -85.89 -32.29 18.42 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.091 -1.052 . . . . 0.0 112.879 -177.416 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.682 ' HB3' ' HG3' ' A' ' 41' ' ' GLN . 10.2 t0 -75.78 -5.12 44.3 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -175.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 pt -95.83 -13.28 8.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.549 176.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.33 -20.88 43.61 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.909 -0.662 . . . . 0.0 113.569 175.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.59 174.05 10.88 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.774 0.287 . . . . 0.0 111.255 -178.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.439 ' HA ' ' HB ' ' A' ' 105' ' ' ILE . 0.1 OUTLIER -89.98 158.72 17.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.05 0.452 . . . . 0.0 111.357 -178.217 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.5 p -105.65 171.92 7.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.12 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.87 ' HE1' ' HB3' ' A' ' 101' ' ' ASP . 2.0 m-85 -110.31 114.22 27.5 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.059 177.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -112.25 115.42 28.77 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.202 0.525 . . . . 0.0 111.22 -178.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.474 ' HB3' ' CE1' ' A' ' 66' ' ' PHE . 17.0 tptt -144.89 135.06 24.04 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.359 177.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.593 ' HB2' ' HG3' ' A' ' 55' ' ' MET . 66.3 m 68.78 17.25 8.84 Favored 'General case' 0 N--CA 1.466 0.34 0 O-C-N 123.433 0.458 . . . . 0.0 110.931 -176.07 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 78.1 -5.51 54.01 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.506 -0.854 . . . . 0.0 111.359 -172.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.593 ' HG3' ' HB2' ' A' ' 53' ' ' SER . 0.1 OUTLIER -80.58 116.66 20.73 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 121.266 0.555 . . . . 0.0 109.821 178.064 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 13.2 mt -85.77 100.55 9.01 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.046 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.36 177.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.679 HD22 HD23 ' A' ' 65' ' ' LEU . 3.8 mt -112.42 164.76 12.89 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.25 -172.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.647 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 25.6 p -80.5 167.82 19.68 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.417 -0.81 . . . . 0.0 109.256 173.442 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.481 ' HG3' ' HE2' ' A' ' 50' ' ' TYR . 20.0 ttm-85 -61.02 -38.22 85.32 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.763 0.316 . . . . 0.0 111.532 -176.388 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.437 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 36.8 t30 -72.77 -42.99 63.38 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.626 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.647 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 4.6 m-20 -60.26 -39.28 86.26 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.636 -178.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.423 ' HE1' ' HB2' ' A' ' 52' ' ' LYS . 83.8 t80 -56.56 -40.76 75.71 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.017 -178.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.447 HD12 ' HB1' ' A' ' 71' ' ' ALA . 13.0 mm -72.15 -20.85 20.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -178.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' A' ' 60' ' ' ASN . 5.1 mtp180 -85.06 -42.95 14.35 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.728 176.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.679 HD23 HD22 ' A' ' 57' ' ' LEU . 0.4 OUTLIER -77.05 -43.2 35.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.849 -175.035 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.474 ' CE1' ' HB3' ' A' ' 52' ' ' LYS . 88.6 m-85 -117.98 -43.17 2.77 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.049 -176.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 60.16 -111.14 3.35 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.916 -0.659 . . . . 0.0 113.127 177.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 73.19 -63.89 0.42 Allowed 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.587 0.755 . . . . 0.0 110.755 -177.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.78 119.06 38.15 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.054 175.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.03 97.87 0.95 Allowed Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.087 -178.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.605 ' HA ' ' O ' ' A' ' 95' ' ' GLY . . . -79.13 128.32 33.14 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.796 -0.202 . . . . 0.0 111.124 -176.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -117.02 82.43 0.32 Allowed Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.976 -0.63 . . . . 0.0 111.728 176.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 170.61 114.27 0.31 Allowed Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.61 -178.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.82 -16.57 21.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.978 0.418 . . . . 0.0 110.904 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 176.7 118.65 0.55 Allowed Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.198 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -138.5 -99.95 0.49 Allowed Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.41 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.489 ' H ' ' HA ' ' A' ' 83' ' ' ASP . 0.0 OUTLIER -154.52 -84.26 0.07 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 179.119 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 9.8 tpt -73.35 112.57 9.54 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 177.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 104.24 0.9 44.39 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.531 -0.842 . . . . 0.0 111.978 -176.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.2 m 67.58 -69.32 0.14 Allowed 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.242 0.617 . . . . 0.0 111.742 179.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -74.65 -38.63 42.81 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.682 -0.77 . . . . 0.0 111.209 175.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -85.06 175.7 50.19 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 111.386 -0.686 . . . . 0.0 111.386 174.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.598 ' O ' ' HB ' ' A' ' 84' ' ' VAL . 17.8 t70 -122.84 -44.25 2.21 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.563 0.22 . . . . 0.0 110.646 -179.389 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.598 ' HB ' ' O ' ' A' ' 83' ' ' ASP . 0.3 OUTLIER 160.56 -25.65 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 178.205 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.2 ttt -142.36 148.0 37.19 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.513 -1.221 . . . . 0.0 108.063 176.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.723 ' HB ' ' HA ' ' A' ' 90' ' ' PRO . 0.6 OUTLIER -71.43 77.2 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.216 0.531 . . . . 0.0 111.228 -175.34 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 14.9 t -89.18 -50.76 12.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.947 -177.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.9 -52.12 40.28 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.131 -178.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -131.14 105.62 14.94 Favored Pre-proline 0 C--N 1.32 -0.685 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 176.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.723 ' HA ' ' HB ' ' A' ' 86' ' ' VAL . 46.6 Cg_endo -71.72 72.63 2.47 Favored 'Trans proline' 0 C--O 1.232 0.225 0 C-N-CA 122.683 2.256 . . . . 0.0 112.3 -176.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.3 80.63 1.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.156 -178.397 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 84.1 mt -68.06 -38.63 82.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.603 178.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.71 54.64 1.33 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.577 173.428 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 176.49 -148.78 9.29 Favored Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.394 -176.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.605 ' O ' ' HA ' ' A' ' 71' ' ' ALA . . . -174.31 173.53 46.05 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.849 179.237 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -84.63 76.91 10.14 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.009 0.433 . . . . 0.0 110.754 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.687 ' HA ' ' HG3' ' A' ' 100' ' ' GLU . 1.8 t80 -78.79 63.96 3.66 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.306 0.574 . . . . 0.0 109.795 177.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.452 ' O ' ' HG2' ' A' ' 102' ' ' GLU . . . -87.44 -64.18 1.4 Allowed Glycine 0 N--CA 1.444 -0.772 0 CA-C-N 115.188 -0.914 . . . . 0.0 112.926 -173.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.698 ' HA ' ' CG ' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -109.65 7.56 24.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.332 0.587 . . . . 0.0 110.881 -176.206 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.687 ' HG3' ' HA ' ' A' ' 97' ' ' PHE . 1.1 mm-40 -60.86 -40.8 94.32 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.478 -0.783 . . . . 0.0 112.53 -177.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.87 ' HB3' ' HE1' ' A' ' 50' ' ' TYR . 12.9 t0 -126.11 14.26 7.85 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -174.158 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.698 ' CG ' ' HA ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -100.64 -124.76 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.561 177.806 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 64.05 23.98 13.4 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.978 0.418 . . . . 0.0 111.328 177.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.79 19.91 15.15 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.896 0.379 . . . . 0.0 110.704 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.637 HD11 HD12 ' A' ' 33' ' ' LEU . 2.5 mt -115.17 119.4 61.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.141 0.496 . . . . 0.0 110.307 175.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 40.1 m -109.95 108.96 19.41 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 174.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.03 100.65 7.09 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -171.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 34.0 mt -137.57 110.52 7.71 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.871 178.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -65.38 164.09 14.39 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.719 -178.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -57.53 -37.41 73.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.208 179.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 1.8 m -114.59 87.68 2.69 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.685 172.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.75 44.06 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.563 -177.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -86.96 -170.37 3.04 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.937 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -58.02 -48.0 81.39 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.065 0.46 . . . . 0.0 109.796 176.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -85.77 73.1 10.45 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.937 173.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -75.93 71.11 2.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.193 -176.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 38.3 t-20 -168.81 164.29 11.85 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.19 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -69.46 -78.93 0.32 Allowed Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.97 -0.634 . . . . 0.0 112.603 -178.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 11.6 mm 49.11 62.47 0.22 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 121.404 0.621 . . . . 0.0 110.499 -178.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -109.92 161.03 15.88 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.928 -175.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -141.17 165.08 28.51 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.533 176.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.491 -0.766 . . . . 0.0 110.764 -178.331 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.773 0 N-CA-C 112.259 -0.336 . . . . 0.0 112.259 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.06 -46.83 76.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.841 0.353 . . . . 0.0 110.098 178.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 tp -81.03 130.95 35.25 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 172.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.465 ' HB3' ' HD3' ' A' ' 14' ' ' LYS . 2.8 m -81.63 41.9 0.66 Allowed 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -174.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.402 ' O ' ' HD3' ' A' ' 6' ' ' LYS . 0.5 OUTLIER 46.5 -133.03 1.07 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.606 -0.724 . . . . 0.0 112.094 171.355 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.511 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -134.94 179.16 6.48 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.558 178.829 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.27 120.52 41.35 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.246 178.266 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.683 ' HB2' HG12 ' A' ' 15' ' ' ILE . 2.8 t -62.82 124.54 21.3 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.168 -177.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.69 2.58 29.02 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.937 178.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.868 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -88.07 -49.36 3.8 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.032 178.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.426 ' SG ' ' N ' ' A' ' 12' ' ' GLY . 21.0 p -108.67 -86.81 0.51 Allowed 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.491 177.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.426 ' N ' ' SG ' ' A' ' 11' ' ' CYS . . . 160.73 77.28 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 121.148 -0.548 . . . . 0.0 112.123 179.547 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -178.82 -174.85 45.39 Favored Glycine 0 N--CA 1.425 -2.083 0 N-CA-C 110.046 -1.222 . . . . 0.0 110.046 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.465 ' HD3' ' HB3' ' A' ' 4' ' ' SER . 13.3 mtmt -82.91 131.07 35.2 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-N 115.495 -0.353 . . . . 0.0 110.075 177.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.683 HG12 ' HB2' ' A' ' 8' ' ' CYS . 3.9 mt -78.19 90.41 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.719 -177.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.31 24.38 2.96 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.821 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -100.51 147.86 25.43 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.476 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.8 ' HB2' ' HB2' ' A' ' 110' ' ' ASN . 0.0 OUTLIER -86.1 -5.78 59.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.02 0.438 . . . . 0.0 110.152 177.535 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -116.94 86.25 2.47 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.299 175.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.454 HD13 HD11 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -114.16 169.61 8.9 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.8 -175.758 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.678 HD23 HG21 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -131.14 157.17 43.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.851 -177.427 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.676 ' HD2' HG23 ' A' ' 106' ' ' THR . 5.6 m-85 -125.83 125.44 42.88 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 175.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -151.89 128.05 10.48 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 121.172 -0.211 . . . . 0.0 110.942 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.0 mmm 63.09 37.4 11.56 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.94 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 59.8 17.2 6.22 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.701 -178.116 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -120.48 143.83 48.32 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 173.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.511 ' HB2' ' HB3' ' A' ' 6' ' ' LYS . 6.5 m-30 -95.64 150.18 20.64 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 120.67 -0.412 . . . . 0.0 109.9 -177.035 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 9.7 m95 -134.65 176.5 8.58 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.138 -174.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.472 ' HB3' ' H ' ' A' ' 30' ' ' SER . 4.3 m80 -83.6 -152.0 0.12 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.347 -0.842 . . . . 0.0 108.965 168.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.472 ' H ' ' HB3' ' A' ' 29' ' ' HIS . 0.1 OUTLIER -102.8 -54.1 2.71 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.053 0.454 . . . . 0.0 110.33 175.225 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.454 ' HG2' ' O ' ' A' ' 31' ' ' ARG . 1.0 OUTLIER -79.22 -13.62 59.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.576 -178.48 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.868 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 82.9 m -78.36 -16.32 57.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.48 -178.288 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 16.8 tp -85.05 62.45 7.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.748 0.785 . . . . 0.0 109.721 173.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.455 ' CG ' ' HA ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -114.73 155.26 27.0 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.456 -179.66 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.439 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 45.2 t -58.91 140.0 55.92 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 123.402 0.438 . . . . 0.0 110.128 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.2 m -72.57 -5.75 39.3 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.038 0.447 . . . . 0.0 110.446 176.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.52 -41.42 2.82 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.34 -178.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.439 ' HB2' ' HB3' ' A' ' 35' ' ' CYS . 72.3 m -91.86 -30.94 15.9 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -177.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.455 ' HA ' ' CG ' ' A' ' 34' ' ' LYS . 2.2 mp0 63.74 23.81 13.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.49 -173.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -93.86 135.38 35.24 Favored 'General case' 0 N--CA 1.438 -1.051 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.009 175.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.65 114.86 3.52 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.813 -177.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.477 HD11 HD12 ' A' ' 45' ' ' ILE . 0.8 OUTLIER -65.65 -18.2 65.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.943 -172.848 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -91.3 -2.98 70.05 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.109 178.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -95.02 -34.37 12.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.212 0.53 . . . . 0.0 109.896 178.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.477 HD12 HD11 ' A' ' 42' ' ' LEU . 2.7 pt -89.27 55.34 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.335 177.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.91 -131.38 10.46 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -175.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.24 102.91 2.97 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.958 0.409 . . . . 0.0 110.264 172.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -160.37 153.92 22.32 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 178.235 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.433 ' HG ' ' CG1' ' A' ' 105' ' ' ILE . 0.2 OUTLIER -161.44 133.77 5.91 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.501 ' O ' ' HA ' ' A' ' 56' ' ' ILE . 14.3 m-85 -119.53 122.94 42.76 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.857 -176.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.3 103.63 16.07 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.944 0.402 . . . . 0.0 110.932 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.632 ' O ' ' HG2' ' A' ' 55' ' ' MET . 8.5 mmtm -140.14 136.54 33.62 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.482 -179.214 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.9 m 63.42 22.34 13.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.293 -179.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 79.01 5.05 89.04 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.069 -178.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.632 ' HG2' ' O ' ' A' ' 52' ' ' LYS . 4.1 ptt? -121.61 -179.18 4.01 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 178.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.528 HG23 ' O ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -118.09 136.16 56.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.221 0.534 . . . . 0.0 110.945 179.634 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 69.5 mt -122.07 168.45 11.94 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.813 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.696 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 27.6 p -83.94 170.48 13.95 Favored 'General case' 0 N--CA 1.442 -0.833 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 173.015 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.3 tpp85 -69.17 -34.47 74.99 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.182 0.515 . . . . 0.0 109.923 177.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -66.06 -41.47 90.74 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.997 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.696 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 6.4 m-20 -77.86 -32.86 52.24 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.573 -177.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -52.94 -42.29 65.31 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.366 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.424 ' O ' ' HA3' ' A' ' 67' ' ' GLY . 2.1 mm -71.9 -14.0 17.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.023 0.439 . . . . 0.0 111.473 -178.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 64' ' ' ARG . 16.4 mtt180 -87.67 -53.89 4.55 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.306 0.574 . . . . 0.0 109.945 175.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.533 ' HB3' ' CD1' ' A' ' 66' ' ' PHE . 0.2 OUTLIER -71.94 -48.66 43.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.912 -176.106 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.533 ' CD1' ' HB3' ' A' ' 65' ' ' LEU . 93.8 m-85 -126.83 32.53 5.11 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.921 0.391 . . . . 0.0 111.035 -175.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.424 ' HA3' ' O ' ' A' ' 63' ' ' ILE . . . -79.23 -19.24 72.48 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.104 179.368 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -70.37 112.02 6.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.524 0.202 . . . . 0.0 110.529 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.0 m 63.69 -99.19 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.028 -176.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 77.75 -62.63 3.54 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 121.014 -0.612 . . . . 0.0 111.995 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -147.76 61.13 1.14 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.45 0.643 . . . . 0.0 109.377 176.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -171.46 111.57 0.41 Allowed Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.425 -177.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -57.35 -35.29 70.79 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 121.068 -0.587 . . . . 0.0 112.897 -176.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.21 23.36 11.78 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.061 0.458 . . . . 0.0 110.723 178.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 106.13 167.14 23.08 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.911 -0.661 . . . . 0.0 111.631 -177.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.415 ' HA3' ' HE2' ' A' ' 97' ' ' PHE . . . -91.01 135.7 12.97 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.568 -0.825 . . . . 0.0 111.347 177.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -148.04 -178.54 6.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.949 0.375 . . . . 0.0 111.11 -177.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.1 mtm 61.83 27.37 16.69 Favored 'General case' 0 N--CA 1.464 0.229 0 O-C-N 123.799 0.687 . . . . 0.0 110.807 -178.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 71.85 -86.76 0.46 Allowed Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 -174.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -121.43 72.61 1.01 Allowed 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 172.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -107.35 36.27 4.5 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.574 -176.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -76.31 -34.85 44.49 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.984 -0.626 . . . . 0.0 112.787 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -67.99 -20.93 65.07 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.344 0.592 . . . . 0.0 110.658 179.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -92.53 -13.52 8.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.733 178.129 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.93 -43.87 6.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.381 -177.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.468 ' HA ' ' HG3' ' A' ' 89' ' ' GLU . 4.4 t -79.29 66.42 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.502 0.668 . . . . 0.0 110.771 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -128.04 85.25 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.554 178.451 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 107.18 17.86 11.09 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.826 -0.702 . . . . 0.0 111.875 -174.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.468 ' HG3' ' HA ' ' A' ' 86' ' ' VAL . 7.5 mm-40 -99.79 170.87 6.21 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 178.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.432 ' HD2' ' HB3' ' A' ' 89' ' ' GLU . 51.2 Cg_exo -56.7 -32.1 89.86 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 122.376 2.051 . . . . 0.0 111.866 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -73.32 114.58 11.68 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.248 174.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.6 mt -75.65 -34.79 60.52 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.286 -177.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.68 100.6 8.15 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.777 176.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -89.49 69.37 2.53 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.837 -0.696 . . . . 0.0 111.939 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.568 ' O ' ' HB3' ' A' ' 101' ' ' ASP . . . -80.3 -42.16 10.87 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.15 -178.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -57.83 134.21 56.09 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 123.629 0.253 . . . . 0.0 111.041 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.415 ' HE2' ' HA3' ' A' ' 76' ' ' GLY . 0.1 OUTLIER 64.52 13.26 8.06 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.405 -178.312 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.551 ' O ' ' HB3' ' A' ' 99' ' ' ASP . . . -90.6 7.4 81.4 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.008 179.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.551 ' HB3' ' O ' ' A' ' 98' ' ' GLY . 5.8 t70 79.21 -40.06 0.23 Allowed 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.624 0.769 . . . . 0.0 111.108 -178.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -92.06 21.56 4.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.82 0.343 . . . . 0.0 110.95 177.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.568 ' HB3' ' O ' ' A' ' 95' ' ' GLY . 12.3 p-10 -85.05 -19.41 32.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.463 177.402 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.408 ' H ' ' HG3' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -85.09 -116.67 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 172.93 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 45.0 43.86 7.61 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.162 0.506 . . . . 0.0 111.553 175.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.6 mt -102.73 -3.47 26.42 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.937 -176.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.678 HG21 HD23 ' A' ' 21' ' ' LEU . 17.6 mt -77.97 93.35 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-O 121.459 0.647 . . . . 0.0 110.971 -179.634 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.676 HG23 ' HD2' ' A' ' 22' ' ' TYR . 97.9 m -101.15 86.68 3.07 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 175.294 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.415 ' HD3' ' O ' ' A' ' 107' ' ' ARG . 0.0 OUTLIER -93.21 143.48 26.22 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.287 -171.15 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.487 ' HB2' ' CE2' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -138.94 103.93 4.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.61 178.741 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.532 ' HB2' ' HG2' ' A' ' 112' ' ' GLN . 1.5 mp0 -97.57 158.3 15.56 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.106 178.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.8 ' HB2' ' HB2' ' A' ' 18' ' ' ARG . 9.1 t-20 -59.3 107.56 0.58 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.817 -178.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.967 ' HB ' ' HA ' ' A' ' 115' ' ' ALA . 0.5 OUTLIER 71.33 -37.23 0.39 Allowed 'General case' 0 CA--C 1.538 0.519 0 O-C-N 123.778 0.674 . . . . 0.0 112.061 -177.537 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.532 ' HG2' ' HB2' ' A' ' 109' ' ' GLU . 2.1 mt-30 66.2 -85.35 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 123.485 0.714 . . . . 0.0 111.378 178.302 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -73.75 109.64 7.42 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 177.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 27.0 t0 62.46 63.05 1.06 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.591 -172.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.967 ' HA ' ' HB ' ' A' ' 111' ' ' THR . . . -62.08 132.77 53.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.118 -0.947 . . . . 0.0 111.674 -174.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -78.81 -44.66 22.63 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 175.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 30.2 t30 57.36 41.64 26.12 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.142 -0.936 . . . . 0.0 111.713 175.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -95.21 52.01 1.86 Allowed Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.558 -0.83 . . . . 0.0 111.562 176.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.416 ' O ' ' HD2' ' A' ' 18' ' ' ARG . 6.9 mt 72.55 -60.18 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 123.303 0.641 . . . . 0.0 110.802 -175.445 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -127.73 171.71 11.46 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 173.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.403 ' N ' HD22 ' A' ' 110' ' ' ASN . 1.1 t70 -81.72 91.98 6.54 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.053 0.454 . . . . 0.0 110.726 -178.375 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.398 -0.811 . . . . 0.0 110.477 -177.933 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.829 0 N-CA-C 111.927 -0.469 . . . . 0.0 111.927 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.402 ' HB2' ' H ' ' A' ' 3' ' ' LEU . 3.0 m 52.57 -106.07 0.27 Allowed 'General case' 0 C--O 1.234 0.258 0 C-N-CA 122.825 0.45 . . . . 0.0 111.282 179.152 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.402 ' H ' ' HB2' ' A' ' 2' ' ' SER . 0.1 OUTLIER 69.15 138.07 0.04 OUTLIER 'General case' 0 C--O 1.234 0.238 0 C-N-CA 123.282 0.633 . . . . 0.0 111.885 176.934 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.2 m -69.14 121.03 15.93 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 173.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.504 ' HB2' ' HE3' ' A' ' 14' ' ' LYS . 1.7 p-90 -60.43 127.6 32.55 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.345 0.593 . . . . 0.0 111.116 -172.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.35 116.2 25.28 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.494 -178.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.409 ' HD3' ' O ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -102.96 139.93 37.88 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.754 0.312 . . . . 0.0 110.788 -175.782 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.59 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -89.65 141.23 28.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.866 -177.933 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.86 7.85 41.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.599 -177.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.892 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -108.91 -69.13 0.64 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.422 -0.894 . . . . 0.0 111.882 178.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.439 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -86.83 -7.83 57.87 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 171.062 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.59 ' HA2' ' O ' ' A' ' 8' ' ' CYS . . . 62.44 59.24 9.66 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 121.301 -0.476 . . . . 0.0 113.223 172.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -132.31 -160.7 9.75 Favored Glycine 0 N--CA 1.428 -1.848 0 C-N-CA 120.5 -0.857 . . . . 0.0 111.314 176.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.504 ' HE3' ' HB2' ' A' ' 5' ' ' TRP . 20.9 tttt -101.66 118.5 37.07 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-N 115.078 -0.561 . . . . 0.0 110.385 179.482 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -97.9 91.47 2.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.456 178.084 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.66 27.42 3.46 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.54 0.686 . . . . 0.0 109.575 176.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.18 152.16 20.58 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.477 -177.411 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.442 HH11 ' HB2' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -78.87 -33.68 45.58 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.673 0.749 . . . . 0.0 109.306 176.376 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.697 ' HA ' ' HB3' ' A' ' 109' ' ' GLU . 0.6 OUTLIER -88.12 97.26 10.89 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.675 -1.148 . . . . 0.0 109.76 179.299 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.718 ' O ' ' HA ' ' A' ' 108' ' ' LEU . 0.0 OUTLIER -159.27 159.03 33.6 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 120.337 -0.545 . . . . 0.0 111.296 -177.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.09 156.33 19.92 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.173 0.511 . . . . 0.0 111.433 -176.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.456 ' N ' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -132.11 131.61 42.5 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.252 178.363 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -153.19 134.24 14.04 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.899 -0.137 . . . . 0.0 111.046 178.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 69.0 mmm 64.12 35.63 10.22 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 123.574 0.546 . . . . 0.0 111.067 179.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.84 23.55 11.41 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.943 -176.005 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.27 145.17 50.12 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.265 -0.88 . . . . 0.0 108.736 174.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.425 ' CD1' ' HD2' ' A' ' 22' ' ' TYR . 6.5 m-85 -101.77 159.43 15.33 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-O 120.793 0.33 . . . . 0.0 110.447 -175.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.692 ' HE3' ' HB2' ' A' ' 32' ' ' CYS . 18.1 m95 -141.11 166.26 25.26 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.199 -174.197 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.797 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 52.2 m80 -86.73 -126.58 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 170.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.1 m -109.01 -41.1 4.81 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.902 173.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.7 1.32 43.28 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -170.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.892 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 0.0 OUTLIER -78.85 -46.24 19.04 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 122.026 -0.421 . . . . 0.0 111.369 -177.179 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.572 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -93.3 121.63 34.87 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.363 0.601 . . . . 0.0 110.082 178.221 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.504 ' HG3' ' HA ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -165.33 165.96 19.03 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.967 -1.015 . . . . 0.0 108.737 -175.13 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.621 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 43.2 t -61.99 143.0 57.15 Favored 'General case' 0 N--CA 1.443 -0.791 0 O-C-N 123.291 0.37 . . . . 0.0 110.052 178.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.97 -24.33 65.14 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.771 178.389 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.69 -46.25 3.85 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.621 ' HB2' ' HB3' ' A' ' 35' ' ' CYS . 96.9 m -71.1 -39.71 71.95 Favored 'General case' 0 CA--C 1.521 -0.137 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.628 -179.435 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.504 ' HA ' ' HG3' ' A' ' 34' ' ' LYS . 76.0 mm-40 62.29 25.29 15.1 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.707 -178.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' A' ' 34' ' ' LYS . . . -100.73 157.12 16.93 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.823 177.174 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.81 103.55 0.36 Allowed 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.689 -179.092 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.8 mt -70.85 -1.64 12.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.678 -176.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.606 ' HA2' HG22 ' A' ' 47' ' ' THR . . . -109.84 6.71 31.22 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.692 -0.766 . . . . 0.0 111.797 176.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -111.12 -58.8 2.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.035 0.445 . . . . 0.0 111.2 -177.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -82.32 49.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.24 0.543 . . . . 0.0 111.051 -179.095 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 100.6 112.55 3.48 Favored Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -175.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.606 HG22 ' HA2' ' A' ' 43' ' ' GLY . 0.0 OUTLIER -77.99 105.3 9.1 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.299 0.571 . . . . 0.0 111.176 -174.042 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.71 158.72 35.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.348 178.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.539 ' O ' ' HA ' ' A' ' 102' ' ' GLU . 0.1 OUTLIER -149.9 154.88 39.06 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.733 0.301 . . . . 0.0 110.95 -177.553 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.517 ' HE2' ' HA ' ' A' ' 59' ' ' ARG . 5.2 m-85 -137.4 104.89 5.5 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.94 178.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.15 102.55 14.32 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.042 -177.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -155.04 138.8 16.17 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.649 178.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.3 m 62.88 28.35 16.34 Favored 'General case' 0 C--N 1.332 -0.173 0 O-C-N 123.473 0.483 . . . . 0.0 111.438 -178.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.95 18.08 66.17 Favored Glycine 0 C--N 1.332 0.344 0 C-N-CA 120.92 -0.657 . . . . 0.0 111.965 -177.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.529 ' HE3' ' HB2' ' A' ' 55' ' ' MET . 1.2 mtm -115.54 170.35 8.49 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.827 0.346 . . . . 0.0 110.652 -176.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.419 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 0.8 OUTLIER -136.39 116.73 17.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.055 177.554 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.704 HD11 ' HG ' ' A' ' 65' ' ' LEU . 1.1 mt -127.33 168.7 14.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.118 -173.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.663 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 26.2 p -87.76 178.97 6.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.918 175.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.517 ' HA ' ' HE2' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -61.25 -49.54 76.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.804 0.335 . . . . 0.0 110.708 178.722 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -65.43 -44.35 87.63 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.059 -178.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.663 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 0.6 OUTLIER -71.42 -31.84 67.7 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.625 -176.669 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.502 ' OH ' ' HA3' ' A' ' 98' ' ' GLY . 54.4 t80 -61.17 -38.33 86.11 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.017 0.437 . . . . 0.0 110.142 175.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.502 HG12 ' O ' ' A' ' 59' ' ' ARG . 10.6 mm -68.68 -27.14 34.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.704 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -80.71 -29.63 36.39 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.47 175.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.704 ' HG ' HD11 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -78.31 -53.88 6.82 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.958 -178.064 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -121.95 -43.96 2.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.079 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.21 -169.18 13.39 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.523 -0.846 . . . . 0.0 113.117 177.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.568 ' HA ' ' HB3' ' A' ' 97' ' ' PHE . 0.2 OUTLIER -172.4 106.55 0.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 -179.188 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.521 ' HB2' ' HA3' ' A' ' 95' ' ' GLY . 0.0 OUTLIER -76.61 -3.28 36.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.899 0.38 . . . . 0.0 111.574 -174.323 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 136.21 -143.85 15.41 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.182 178.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -157.52 154.43 28.62 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.768 0.318 . . . . 0.0 110.583 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 98.72 32.48 5.93 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.302 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.672 ' HA3' ' HB3' ' A' ' 93' ' ' MET . . . 151.12 160.5 9.47 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.672 -0.775 . . . . 0.0 111.802 -179.348 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.96 162.71 16.72 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.822 0.344 . . . . 0.0 111.088 -178.211 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.559 ' HA2' HG23 ' A' ' 87' ' ' VAL . . . 82.54 -107.45 2.84 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 121.113 -0.565 . . . . 0.0 112.477 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.519 ' HA3' ' HB2' ' A' ' 69' ' ' SER . . . 111.46 169.89 18.82 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.371 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -146.47 -35.68 0.26 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.627 0.251 . . . . 0.0 110.452 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 27.2 tpp -164.59 120.64 1.5 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.43 179.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -152.93 -122.1 0.9 Allowed Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.125 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.46 -45.5 45.81 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.888 0.375 . . . . 0.0 110.972 -178.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.436 ' HA3' ' CG2' ' A' ' 63' ' ' ILE . . . -160.98 157.62 29.15 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.086 179.435 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 122.83 -138.47 11.79 Favored Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 120.589 -0.815 . . . . 0.0 111.686 -178.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -169.43 -164.19 0.44 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.625 0.25 . . . . 0.0 110.346 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.416 ' H ' HG21 ' A' ' 84' ' ' VAL . 1.2 m -72.33 -16.85 18.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.189 177.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 6.8 tpt -121.26 87.82 2.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.75 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.469 ' H ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -109.07 -40.43 4.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.358 177.783 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.562 HG13 ' HE1' ' A' ' 97' ' ' PHE . 0.0 OUTLIER -145.19 173.25 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.798 177.23 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -62.74 128.76 41.09 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.606 -0.807 . . . . 0.0 111.841 177.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 66.52 96.35 0.05 OUTLIER Pre-proline 0 C--O 1.235 0.31 0 CA-C-O 121.267 0.556 . . . . 0.0 111.015 -177.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -76.79 67.17 7.44 Favored 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 123.307 2.671 . . . . 0.0 112.406 -178.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.8 m -63.05 120.52 11.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.611 178.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.418 ' H ' ' HG ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -83.26 56.92 3.72 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.067 0.461 . . . . 0.0 110.84 -177.165 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.672 ' HB3' ' HA3' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -104.35 -40.13 6.21 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.903 -179.161 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -161.84 -77.56 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.66 178.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.521 ' HA3' ' HB2' ' A' ' 69' ' ' SER . . . 129.53 44.27 0.19 Allowed Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.736 177.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.405 ' HA ' ' OD1' ' A' ' 99' ' ' ASP . 0.3 OUTLIER -61.26 119.16 7.92 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 178.539 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.568 ' HB3' ' HA ' ' A' ' 68' ' ' ASN . 1.6 t80 -149.15 41.96 0.92 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.3 -174.253 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.502 ' HA3' ' OH ' ' A' ' 62' ' ' TYR . . . 95.6 18.77 31.67 Favored Glycine 0 C--N 1.319 -0.411 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.167 179.329 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.405 ' OD1' ' HA ' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -57.02 -56.56 20.15 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.838 0.351 . . . . 0.0 110.865 179.134 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -91.83 35.67 0.97 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.991 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -87.41 -10.43 52.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.17 0.509 . . . . 0.0 110.077 177.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.539 ' HA ' ' O ' ' A' ' 49' ' ' SER . 0.0 OUTLIER -77.94 -152.48 0.05 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.1 -178.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.439 ' H ' ' HB2' ' A' ' 102' ' ' GLU . 0.1 OUTLIER 54.88 43.5 29.86 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.32 0.581 . . . . 0.0 110.346 -178.452 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.508 HD21 ' HA ' ' A' ' 104' ' ' LEU . 0.3 OUTLIER -109.56 -6.22 15.45 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.547 -175.928 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.579 HG23 HG23 ' A' ' 47' ' ' THR . 6.2 mt -84.58 122.11 37.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 120.974 0.416 . . . . 0.0 111.49 -177.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.08 108.52 20.35 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 167.369 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.61 163.25 27.38 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 114.584 1.327 . . . . 0.0 114.584 -163.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.718 ' HA ' ' O ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -63.66 -163.88 0.01 OUTLIER 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 111.373 -2.649 . . . . 0.0 112.877 -177.051 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.697 ' HB3' ' HA ' ' A' ' 19' ' ' PHE . 16.3 pm0 -52.58 157.81 1.45 Allowed 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 113.85 -1.523 . . . . 0.0 113.845 -166.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.84 -26.63 68.25 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 113.525 -1.67 . . . . 0.0 110.584 175.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.68 HG21 ' HA ' ' A' ' 115' ' ' ALA . 1.5 m -71.81 2.88 4.75 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.232 -0.895 . . . . 0.0 112.069 -178.681 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.516 HE21 ' HB2' ' A' ' 112' ' ' GLN . 0.0 OUTLIER -74.54 -19.37 60.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.104 0.478 . . . . 0.0 109.932 174.768 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.34 -76.58 0.41 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.693 176.457 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.524 ' O ' ' HA ' ' A' ' 111' ' ' THR . 2.1 t0 -115.78 169.34 9.29 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.327 173.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.68 ' HA ' HG21 ' A' ' 111' ' ' THR . . . -80.53 51.16 1.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.227 0.537 . . . . 0.0 111.433 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -101.47 151.6 21.75 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.67 176.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -86.6 113.34 22.41 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 175.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -68.82 136.62 29.37 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.824 -175.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -117.18 -16.97 7.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.755 0.312 . . . . 0.0 110.976 178.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.15 -31.51 58.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.171 0.51 . . . . 0.0 110.177 179.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.59 160.42 23.82 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.67 173.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.251 1.132 0 CA-C-O 118.338 -0.839 . . . . 0.0 110.553 -179.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.825 0 N-CA-C 112.031 -0.428 . . . . 0.0 112.031 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.494 ' HB3' ' HD2' ' A' ' 6' ' ' LYS . 0.7 OUTLIER -97.25 -31.31 12.49 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.724 0.262 . . . . 0.0 110.591 179.341 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.441 ' HB3' ' H ' ' A' ' 4' ' ' SER . 0.2 OUTLIER 58.44 -147.44 0.5 Allowed 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.845 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.441 ' H ' ' HB3' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -77.84 -35.1 51.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.418 0.628 . . . . 0.0 110.342 179.504 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.691 ' HZ3' ' H ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -146.83 119.79 8.75 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.765 -179.655 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.494 ' HD2' ' HB3' ' A' ' 2' ' ' SER . 0.0 OUTLIER -80.19 67.73 6.1 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 175.229 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.459 ' HD3' ' N ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -64.82 -174.15 0.13 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.521 -1.218 . . . . 0.0 112.424 -173.073 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.527 ' HB2' HG12 ' A' ' 15' ' ' ILE . 8.1 t -56.75 147.17 23.66 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.412 0.625 . . . . 0.0 111.375 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -116.26 12.09 15.29 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.398 174.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.602 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -103.18 -31.47 5.0 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.447 -0.797 . . . . 0.0 113.13 -176.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.1 p -123.1 -115.26 0.3 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 117.126 0.463 . . . . 0.0 111.789 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -96.28 -53.66 1.45 Allowed Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.885 -0.598 . . . . 0.0 113.19 -175.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -174.26 -105.78 0.19 Allowed Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 119.891 -1.147 . . . . 0.0 113.611 -177.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -55.3 138.05 46.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.299 0.571 . . . . 0.0 111.893 -173.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.691 ' H ' ' HZ3' ' A' ' 5' ' ' TRP . 8.7 mt -90.89 130.87 39.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.957 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.84 -0.91 53.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.836 -174.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.401 ' HB2' HG21 ' A' ' 15' ' ' ILE . 5.2 m-20 -79.17 156.48 28.2 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 176.331 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.0 ttp-105 -70.33 -31.98 69.51 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 175.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.672 ' HB2' ' HG2' ' A' ' 109' ' ' GLU . 6.2 m-85 -119.41 -153.06 0.52 Allowed 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 114.216 -1.356 . . . . 0.0 108.425 174.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.682 ' HG ' ' HB3' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -158.99 -179.03 7.68 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.215 0.531 . . . . 0.0 112.142 178.183 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.636 HD21 HD13 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -105.2 152.45 22.82 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 170.409 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.464 ' CD2' ' CE1' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -118.09 126.79 52.94 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.42 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -152.41 130.91 12.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 123.179 0.3 . . . . 0.0 111.018 178.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.0 mtt 59.93 38.4 21.06 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.043 -179.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 65.15 8.06 4.55 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.999 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.07 163.73 15.2 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 175.33 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.682 ' HB3' ' HG ' ' A' ' 20' ' ' LEU . 12.5 m-30 -102.54 148.37 25.63 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.352 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 35.7 m95 -136.26 175.19 9.83 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.229 -170.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.692 ' HB2' ' HB2' ' A' ' 32' ' ' CYS . 3.2 m80 -88.11 173.21 8.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.542 -1.208 . . . . 0.0 108.678 168.277 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.57 -45.56 37.06 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.191 0.519 . . . . 0.0 110.061 174.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.538 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 9.0 ttt-85 -83.69 -16.3 45.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.717 -177.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.692 ' HB2' ' HB2' ' A' ' 29' ' ' HIS . 34.6 m -79.76 -20.08 47.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.993 0.425 . . . . 0.0 110.402 178.292 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.636 HD13 HD21 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -88.76 25.22 1.81 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.186 173.864 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.541 ' HD3' ' H ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -67.44 165.88 15.73 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.605 178.072 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.564 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 43.9 t -64.35 138.5 58.46 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.699 174.292 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.7 m -76.86 -4.09 41.94 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.19 0.519 . . . . 0.0 109.877 175.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.2 -43.09 3.25 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.29 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.564 ' HB2' ' HB3' ' A' ' 35' ' ' CYS . 96.2 m -85.52 -31.05 22.94 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.431 0.158 . . . . 0.0 110.95 178.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 63.46 19.87 11.93 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.347 -172.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.52 141.7 33.01 Favored 'General case' 0 N--CA 1.437 -1.108 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.713 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.468 ' HG2' ' HA ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -55.18 109.91 0.6 Allowed 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 114.357 -1.292 . . . . 0.0 111.01 -177.525 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.658 ' O ' HG12 ' A' ' 45' ' ' ILE . 0.3 OUTLIER -76.36 -21.99 55.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.792 -178.435 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.93 -26.55 74.2 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.544 -0.836 . . . . 0.0 111.821 175.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -61.16 -30.0 70.13 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 122.695 0.398 . . . . 0.0 111.521 -179.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.658 HG12 ' O ' ' A' ' 42' ' ' LEU . 8.5 pt -79.34 -10.74 12.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.242 -179.327 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.58 10.47 67.01 Favored Glycine 0 C--N 1.331 0.28 0 CA-C-N 116.025 -0.534 . . . . 0.0 113.429 174.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.452 ' O ' HD12 ' A' ' 105' ' ' ILE . 0.3 OUTLIER -120.85 167.52 12.44 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.449 ' HA ' ' HB ' ' A' ' 105' ' ' ILE . 2.9 m -78.43 152.99 31.86 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.5 0.667 . . . . 0.0 111.828 -177.362 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.534 ' HB3' HD22 ' A' ' 42' ' ' LEU . 2.8 p -97.97 -179.62 4.47 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.543 -176.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.548 ' HE2' ' HD3' ' A' ' 59' ' ' ARG . 15.9 m-85 -120.02 143.85 47.85 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.144 176.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.465 HG21 HD22 ' A' ' 104' ' ' LEU . 0.1 OUTLIER -120.04 114.08 21.47 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.488 -175.431 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.422 ' O ' ' HG2' ' A' ' 55' ' ' MET . 2.2 tttp -155.73 145.41 21.19 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 175.434 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.2 m 65.0 19.87 11.97 Favored 'General case' 0 N--CA 1.464 0.273 0 O-C-N 123.571 0.544 . . . . 0.0 111.207 -177.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 70.42 11.44 68.13 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.123 -178.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.422 ' HG2' ' O ' ' A' ' 52' ' ' LYS . 2.6 ptp -112.67 166.61 11.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.874 0.369 . . . . 0.0 110.307 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.8 mm -104.5 123.69 58.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.074 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -113.18 142.68 45.5 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -177.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.666 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 28.5 p -80.56 165.23 22.29 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 169.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.548 ' HD3' ' HE2' ' A' ' 50' ' ' TYR . 7.6 tpp180 -59.31 -42.57 91.67 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.974 0.416 . . . . 0.0 110.278 -179.217 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.406 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -63.13 -47.98 80.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.883 178.688 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.666 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 17.2 m-20 -73.07 -33.62 65.76 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-O 120.569 0.223 . . . . 0.0 111.444 -175.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -58.41 -37.7 75.88 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.951 177.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.478 HG12 ' CE1' ' A' ' 97' ' ' PHE . 95.0 mt -66.35 -41.32 88.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.397 179.023 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 64' ' ' ARG . 10.6 mtp-105 -68.4 -30.54 69.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.997 0.427 . . . . 0.0 110.679 177.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.41 ' HB3' ' CD2' ' A' ' 66' ' ' PHE . 1.1 mm? -84.68 -59.6 2.31 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.739 -174.466 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.41 ' CD2' ' HB3' ' A' ' 65' ' ' LEU . 3.5 m-85 -134.32 -36.83 0.88 Allowed 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -174.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.529 ' HA2' ' HB2' ' A' ' 96' ' ' GLU . . . -65.95 90.29 0.13 Allowed Glycine 0 C--N 1.33 0.233 0 O-C-N 123.356 0.41 . . . . 0.0 114.0 -173.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.43 HD21 HG23 ' A' ' 63' ' ' ILE . 0.8 OUTLIER -179.11 -72.24 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.435 0.636 . . . . 0.0 109.856 176.699 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.0 m -156.38 44.93 0.42 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.167 -0.924 . . . . 0.0 108.992 177.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -114.86 -65.26 0.41 Allowed Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.958 -175.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.497 ' HB3' ' H ' ' A' ' 72' ' ' GLY . . . 59.21 -152.85 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 122.57 0.348 . . . . 0.0 111.053 -178.269 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.497 ' H ' ' HB3' ' A' ' 71' ' ' ALA . . . -86.82 -41.75 6.64 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.269 177.15 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -143.5 173.36 24.48 Favored Glycine 0 N--CA 1.445 -0.763 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 176.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.1 m 55.9 -105.21 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 122.476 0.31 . . . . 0.0 110.635 -177.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -156.13 -176.59 28.42 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.016 176.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -96.45 145.5 17.86 Favored Glycine 0 N--CA 1.448 -0.53 0 N-CA-C 111.497 -0.641 . . . . 0.0 111.497 178.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -160.18 35.06 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.69 0.281 . . . . 0.0 110.722 -175.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.562 ' HB2' ' HA3' ' A' ' 95' ' ' GLY . 9.9 tpt -90.24 -61.28 1.72 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.856 0.36 . . . . 0.0 110.815 -177.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 172.41 -151.23 14.0 Favored Glycine 0 N--CA 1.439 -1.113 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 56.8 m 54.11 39.81 31.03 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.95 0.405 . . . . 0.0 111.342 178.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.11 -112.33 3.48 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.125 -178.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.3 -76.76 2.17 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.15 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.467 ' HB3' HG11 ' A' ' 86' ' ' VAL . 46.8 t0 -137.88 155.09 49.32 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 176.466 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.4 t -66.59 -50.51 65.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.141 0.496 . . . . 0.0 110.651 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.9 ttm -120.71 95.58 4.77 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.489 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.467 HG11 ' HB3' ' A' ' 83' ' ' ASP . 15.6 m -85.16 39.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.251 0.548 . . . . 0.0 111.063 179.386 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.403 HG22 ' H ' ' A' ' 87' ' ' VAL . 0.0 OUTLIER -70.76 156.07 7.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.895 178.824 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 114.54 -35.72 4.3 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.793 -0.717 . . . . 0.0 111.741 -178.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -128.39 91.07 44.99 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 120.721 0.296 . . . . 0.0 110.403 177.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -79.14 -4.4 13.81 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 123.028 2.485 . . . . 0.0 112.343 -178.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.38 84.15 6.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.549 HD21 ' HA ' ' A' ' 78' ' ' MET . 0.1 OUTLIER -83.38 77.94 9.72 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.107 0.479 . . . . 0.0 110.486 -179.371 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -111.57 23.91 13.38 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.713 -177.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 127.86 -172.97 18.92 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.946 -0.645 . . . . 0.0 111.56 -177.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.562 ' HA3' ' HB2' ' A' ' 78' ' ' MET . . . 176.54 -164.62 34.43 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.226 179.341 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.529 ' HB2' ' HA2' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -99.63 -47.22 5.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.087 0.47 . . . . 0.0 110.058 178.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.478 ' CE1' HG12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -69.63 135.04 49.44 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.005 177.602 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.44 -81.14 1.75 Allowed Glycine 0 N--CA 1.445 -0.754 0 N-CA-C 110.34 -1.104 . . . . 0.0 110.34 -171.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.3 t0 64.32 155.01 0.06 Allowed 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.617 0.723 . . . . 0.0 112.713 171.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -100.26 -3.22 31.88 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.281 171.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.434 ' HB3' ' HD1' ' A' ' 50' ' ' TYR . 4.4 t0 -69.95 -17.03 63.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.601 -178.323 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.81 73.42 1.57 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.45 0.643 . . . . 0.0 109.742 176.243 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -172.5 29.1 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 -178.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.465 HD22 HG21 ' A' ' 51' ' ' THR . 5.6 tp -101.5 -4.2 27.2 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.755 -1.111 . . . . 0.0 111.582 -172.352 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.623 HG12 HD22 ' A' ' 33' ' ' LEU . 16.1 mt -110.69 89.05 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.822 0.82 . . . . 0.0 110.828 177.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.46 ' O ' ' HD1' ' A' ' 22' ' ' TYR . 21.8 m -95.8 105.83 17.89 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.831 -1.077 . . . . 0.0 108.945 175.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.446 ' HB2' ' HG ' ' A' ' 21' ' ' LEU . 6.9 tpt180 -130.58 116.2 17.81 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.246 0.546 . . . . 0.0 111.551 -174.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.0 159.93 42.98 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.04 171.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.672 ' HG2' ' HB2' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -140.77 169.97 16.64 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 -176.265 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.4 ' HB2' ' CE1' ' A' ' 19' ' ' PHE . 55.7 t30 -49.05 101.55 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.528 0 O-C-N 123.517 0.51 . . . . 0.0 111.56 -177.373 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 57.03 26.95 12.56 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.575 -178.218 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -140.11 162.23 35.74 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.382 -179.415 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.422 ' HD1' ' HA ' ' A' ' 113' ' ' PHE . 2.6 m-30 -94.14 -40.02 10.26 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 175.236 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -146.75 104.0 3.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.333 -0.848 . . . . 0.0 109.779 175.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -84.25 161.84 20.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.79 0.329 . . . . 0.0 110.42 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.96 19.46 13.88 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.733 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 66.63 94.81 0.06 Allowed 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.093 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -127.11 76.96 0.4 Allowed Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.029 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 2.3 mt -70.27 116.38 11.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.0 0.429 . . . . 0.0 111.41 -177.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -128.38 -79.3 0.57 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 176.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.56 -42.78 17.89 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 172.26 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 . . . . . 0 C--O 1.252 1.2 0 CA-C-O 117.881 -1.057 . . . . 0.0 109.528 175.781 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.84 0 N-CA-C 111.732 -0.547 . . . . 0.0 111.732 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 54.11 38.35 28.9 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 122.903 0.481 . . . . 0.0 111.948 177.403 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.82 -31.9 40.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 0.0 110.852 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.49 ' HB2' ' HD2' ' A' ' 6' ' ' LYS . 0.7 OUTLIER -91.12 141.69 28.55 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.47 179.403 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.793 ' HE3' ' HD2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -75.05 -44.81 45.59 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.123 -178.354 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.687 ' HE2' ' CE1' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 69.99 165.78 0.28 Allowed 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.73 0.644 . . . . 0.0 110.882 -178.411 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.0 165.93 26.76 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.273 179.246 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.446 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 10.7 t -71.25 142.38 50.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.255 0.55 . . . . 0.0 111.762 -176.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -107.16 -0.15 22.96 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.352 172.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.873 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -92.07 -40.65 5.14 Favored Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.212 179.367 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.4 p -120.14 -88.03 0.63 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.718 0.294 . . . . 0.0 110.413 175.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.27 107.1 0.21 Allowed Glycine 0 N--CA 1.444 -0.775 0 N-CA-C 111.675 -0.57 . . . . 0.0 111.675 178.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 156.45 139.97 2.86 Favored Glycine 0 N--CA 1.437 -1.244 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -177.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.793 ' HD2' ' HE3' ' A' ' 5' ' ' TRP . 6.7 mmtp -60.75 131.91 52.21 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.1 mt -93.74 105.97 17.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.143 0.497 . . . . 0.0 111.75 -172.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.523 ' HB3' ' CH2' ' A' ' 5' ' ' TRP . . . -108.39 23.05 15.09 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.892 176.244 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.08 139.89 50.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.058 -178.105 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -68.9 -41.49 78.2 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 174.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.667 ' HA ' ' HG2' ' A' ' 109' ' ' GLU . 12.0 m-85 -112.3 107.87 16.86 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.008 178.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -143.75 154.07 43.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.399 0.618 . . . . 0.0 111.805 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.46 HD21 HG12 ' A' ' 105' ' ' ILE . 1.1 tt -113.37 148.86 34.96 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.111 -0.95 . . . . 0.0 108.921 177.398 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.624 ' HB2' ' O ' ' A' ' 26' ' ' SER . 27.7 p90 -151.8 157.26 41.71 Favored 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 119.988 -0.685 . . . . 0.0 112.017 179.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.86 160.53 41.27 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.085 -178.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 4.2 mtp 62.45 28.85 17.0 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 123.342 0.401 . . . . 0.0 111.056 177.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 69.93 -0.11 2.85 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.206 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.624 ' O ' ' HB2' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -110.08 157.55 19.22 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 176.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.687 ' CE1' ' HE2' ' A' ' 6' ' ' LYS . 6.7 m-30 -90.33 157.02 17.85 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.025 0.441 . . . . 0.0 110.377 179.133 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.529 ' CE3' ' HA ' ' A' ' 33' ' ' LEU . 61.5 m95 -142.91 173.9 11.14 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.744 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 35.5 m80 -103.19 158.45 16.31 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 164.489 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.74 -44.07 66.19 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -174.388 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.43 -4.51 45.02 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 121.253 -0.179 . . . . 0.0 111.372 179.353 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.873 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 20.1 m -79.64 -35.7 38.98 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 176.109 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.529 ' HA ' ' CE3' ' A' ' 28' ' ' TRP . 31.9 tp -68.32 -70.21 0.28 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 175.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.782 ' HG3' ' HA ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER 50.05 -174.13 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 115.028 -0.987 . . . . 0.0 113.277 172.117 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.601 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 51.5 t -98.34 143.25 29.01 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.002 175.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.7 m -74.53 -7.09 51.95 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.94 0.4 . . . . 0.0 110.404 177.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.493 ' HB2' ' OD2' ' A' ' 61' ' ' ASP . 0.1 OUTLIER -117.7 -43.68 2.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.273 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.601 ' HB2' ' HB3' ' A' ' 35' ' ' CYS . 93.8 m -79.86 -45.67 18.25 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.981 -0.288 . . . . 0.0 110.649 177.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.782 ' HA ' ' HG3' ' A' ' 34' ' ' LYS . 47.8 mt-30 65.71 18.97 11.34 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.068 -177.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.15 -154.54 0.48 Allowed 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.539 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.459 ' HB3' ' HB2' ' A' ' 44' ' ' ASP . 2.2 tp-100 -83.99 97.61 9.36 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.027 0.441 . . . . 0.0 110.244 178.371 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.8 tp -61.99 -25.3 67.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.191 -177.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -92.54 5.1 77.09 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.84 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.459 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . 11.5 t70 -100.51 -12.8 19.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.2 0.524 . . . . 0.0 110.912 -179.113 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -105.14 36.78 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.984 178.181 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 99.58 -144.12 16.85 Favored Glycine 0 N--CA 1.442 -0.946 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 -172.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.46 103.78 4.15 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.099 0.476 . . . . 0.0 110.475 174.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.8 m -159.85 140.83 12.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.93 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.448 ' O ' ' HA ' ' A' ' 102' ' ' GLU . 0.1 OUTLIER -148.76 128.0 12.92 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.61 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.542 ' CE1' ' HA ' ' A' ' 59' ' ' ARG . 14.3 m-85 -109.7 104.14 13.08 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.256 -175.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.483 ' HA ' ' O ' ' A' ' 55' ' ' MET . 90.6 m -87.96 102.49 14.78 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.559 176.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -154.85 132.71 11.5 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.188 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.2 m 67.88 21.62 8.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.87 0.367 . . . . 0.0 110.748 -174.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 75.01 3.72 69.65 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.814 -0.708 . . . . 0.0 111.486 -175.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.483 ' O ' ' HA ' ' A' ' 51' ' ' THR . 19.7 mtm -94.6 164.13 13.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.817 0.341 . . . . 0.0 110.333 -179.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.7 mp -136.95 97.05 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.606 177.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.761 HD22 ' HG ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -111.4 -179.38 3.7 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.009 -175.885 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.505 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 12.5 p -87.35 174.86 8.29 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.871 175.063 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.542 ' HA ' ' CE1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -63.03 -38.0 89.43 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.974 0.416 . . . . 0.0 110.734 179.558 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -75.05 -43.31 54.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.426 -178.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.505 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 62.6 m-20 -70.3 -24.5 63.04 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.129 -177.329 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.524 ' HA ' HD11 ' A' ' 57' ' ' LEU . 60.4 t80 -60.05 -40.65 90.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.235 178.196 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.487 HG21 HD12 ' A' ' 63' ' ' ILE . 3.4 mm -67.83 -31.05 50.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.15 0.5 . . . . 0.0 110.56 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -72.92 -43.25 62.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.152 177.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.761 ' HG ' HD22 ' A' ' 57' ' ' LEU . 1.0 OUTLIER -75.38 -57.7 3.73 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.2 -175.502 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -118.95 -28.27 5.57 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -172.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.08 -89.89 1.51 Allowed Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.384 -0.912 . . . . 0.0 112.782 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.457 ' CG ' ' HB2' ' A' ' 99' ' ' ASP . 0.3 OUTLIER -165.14 149.54 8.88 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 -178.184 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -94.78 28.43 2.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.921 0.391 . . . . 0.0 111.137 -178.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.488 ' HA3' ' HG2' ' A' ' 93' ' ' MET . . . 81.46 39.72 12.05 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.687 177.38 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -111.57 170.41 8.15 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.913 0.387 . . . . 0.0 110.918 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.436 ' HA3' ' HB2' ' A' ' 96' ' ' GLU . . . 162.57 -137.87 5.06 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -179.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.27 -19.64 68.84 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 173.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.8 -28.15 68.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.182 0.515 . . . . 0.0 110.597 177.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 151.38 -158.97 28.0 Favored Glycine 0 N--CA 1.442 -0.923 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.922 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -121.52 -171.86 14.22 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.986 178.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -166.1 61.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.809 0.337 . . . . 0.0 110.381 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 56.56 46.05 21.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.358 -176.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -167.14 43.17 0.25 Allowed Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.633 -178.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.0 m 66.89 176.26 0.24 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.907 0.384 . . . . 0.0 110.72 -176.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 97.97 -45.54 1.68 Allowed Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.398 -0.906 . . . . 0.0 111.902 -175.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 144.58 96.49 0.21 Allowed Glycine 0 N--CA 1.443 -0.866 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.774 178.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.728 ' HA ' HG21 ' A' ' 86' ' ' VAL . 0.2 OUTLIER -83.46 46.6 1.16 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.012 0.434 . . . . 0.0 110.45 177.557 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.4 t -94.15 -47.19 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.946 -176.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.451 ' HB3' ' HE1' ' A' ' 85' ' ' MET . 1.3 pmm? -81.36 -21.4 39.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.545 -179.229 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.728 HG21 ' HA ' ' A' ' 83' ' ' ASP . 0.2 OUTLIER -71.26 164.14 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.984 176.188 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.56 ' HB ' ' O ' ' A' ' 86' ' ' VAL . 24.3 t 79.17 -52.93 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 -173.088 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -74.75 -52.48 7.12 Favored Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 171.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -112.6 96.16 35.46 Favored Pre-proline 0 C--N 1.327 -0.408 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 173.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -69.68 -44.2 2.27 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.542 2.161 . . . . 0.0 112.911 -175.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.66 98.21 9.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.156 0.503 . . . . 0.0 111.44 -177.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -148.21 132.18 17.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.31 178.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.488 ' HG2' ' HA3' ' A' ' 70' ' ' GLY . 3.1 mtm -149.87 95.76 2.35 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.971 0.415 . . . . 0.0 111.324 -177.136 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -82.42 -79.82 0.98 Allowed Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.735 177.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 103.85 33.63 4.02 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.502 -0.856 . . . . 0.0 112.677 176.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.436 ' HB2' ' HA3' ' A' ' 72' ' ' GLY . 0.2 OUTLIER -101.65 30.34 4.38 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.645 0.26 . . . . 0.0 110.557 178.187 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.458 ' CE1' HD11 ' A' ' 63' ' ' ILE . 8.1 t80 55.2 68.04 0.92 Allowed 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 121.524 0.678 . . . . 0.0 110.486 -176.329 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -110.38 -3.52 29.15 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.635 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.471 ' CG ' ' HH ' ' A' ' 62' ' ' TYR . 0.2 OUTLIER -75.19 78.82 2.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.917 0.389 . . . . 0.0 111.017 -179.102 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.8 39.4 1.07 Allowed 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 175.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -73.27 46.59 0.19 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.906 -1.043 . . . . 0.0 112.383 -174.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.483 ' CD ' ' HD2' ' A' ' 103' ' ' ARG . 0.1 OUTLIER -100.71 -119.51 0.16 Allowed 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 174.665 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.483 ' HD2' ' CD ' ' A' ' 102' ' ' GLU . 3.9 mmm180 49.69 39.08 16.79 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 122.9 0.48 . . . . 0.0 111.301 177.316 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.33 -21.31 13.13 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.027 -178.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.46 HG12 HD21 ' A' ' 21' ' ' LEU . 11.5 mt -64.85 108.15 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.728 0.775 . . . . 0.0 110.321 178.084 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.02 126.0 54.34 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.156 179.016 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -133.23 119.13 19.44 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 120.909 0.385 . . . . 0.0 110.679 -175.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.8 tp -142.48 102.72 4.13 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.895 176.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.667 ' HG2' ' HA ' ' A' ' 19' ' ' PHE . 40.6 mt-10 -82.06 162.67 22.48 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.432 -179.136 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -72.18 126.14 29.05 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 174.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.646 ' HB ' ' HA3' ' A' ' 118' ' ' GLY . 0.2 OUTLIER 73.2 20.69 3.27 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.121 -175.313 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.64 ' HB2' ' HB2' ' A' ' 109' ' ' GLU . 1.7 tt0 -89.39 51.19 2.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.308 0.575 . . . . 0.0 110.043 175.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.509 ' CE2' ' HA ' ' A' ' 111' ' ' THR . 6.4 m-85 -97.06 101.03 12.52 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.219 178.444 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.47 ' HB3' ' O ' ' A' ' 113' ' ' PHE . 6.1 t0 74.72 -65.35 0.35 Allowed 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.885 0.74 . . . . 0.0 110.348 -173.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -80.97 132.47 35.39 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.463 175.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.426 ' HA ' ' CG ' ' A' ' 112' ' ' GLN . . . -89.62 169.89 10.94 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.71 -179.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 59.73 62.58 1.68 Allowed 'General case' 0 C--O 1.234 0.282 0 O-C-N 123.527 0.517 . . . . 0.0 110.07 -179.199 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.646 ' HA3' ' HB ' ' A' ' 111' ' ' THR . . . -62.45 126.86 38.68 Favored Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.983 -175.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 6.5 mt 58.33 71.2 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 121.328 0.585 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -70.45 114.14 8.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.265 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -121.77 124.39 44.08 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.836 0.35 . . . . 0.0 111.247 -176.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 . . . . . 0 C--O 1.251 1.139 0 CA-C-O 118.404 -0.808 . . . . 0.0 109.543 176.888 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.754 0 N-CA-C 111.728 -0.549 . . . . 0.0 111.728 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.31 79.86 1.34 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.191 0.52 . . . . 0.0 110.557 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.7 mt -90.39 5.95 45.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.648 -177.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.64 94.05 0.75 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.663 179.535 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.663 ' HZ3' ' HG2' ' A' ' 14' ' ' LYS . 38.8 p-90 -79.88 -40.9 27.31 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 178.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.583 ' HG2' ' O ' ' A' ' 5' ' ' TRP . 0.0 OUTLIER 49.47 140.1 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.732 1.613 . . . . 0.0 114.434 175.711 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.531 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -119.1 139.55 51.58 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.491 179.242 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.45 ' HB2' HG12 ' A' ' 15' ' ' ILE . 45.0 t -86.25 136.26 33.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.94 -174.421 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -103.36 3.2 34.95 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.917 175.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.658 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -83.01 -47.92 5.63 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.066 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.6 p -103.3 -87.11 0.43 Allowed 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 175.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 168.3 57.33 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.546 -0.835 . . . . 0.0 113.044 177.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -162.32 -150.21 5.91 Favored Glycine 0 N--CA 1.435 -1.378 0 C-N-CA 120.718 -0.753 . . . . 0.0 111.306 176.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.663 ' HG2' ' HZ3' ' A' ' 5' ' ' TRP . 2.0 mtmp? -101.28 156.43 17.45 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 115.343 -0.429 . . . . 0.0 110.137 177.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.45 HG12 ' HB2' ' A' ' 8' ' ' CYS . 1.0 OUTLIER -100.75 93.3 2.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 120.907 0.384 . . . . 0.0 110.462 177.032 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.67 27.58 2.29 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.354 0.597 . . . . 0.0 110.104 177.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.89 153.62 17.61 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.727 -177.109 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -76.36 -23.09 54.16 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.584 0.707 . . . . 0.0 109.654 176.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.619 ' HD1' ' HG2' ' A' ' 109' ' ' GLU . 37.2 m-85 -126.09 127.81 46.38 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.719 -179.112 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.618 ' N ' HD12 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -151.3 176.46 11.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.69 0.281 . . . . 0.0 111.123 -178.4 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.533 HD22 ' HA ' ' A' ' 105' ' ' ILE . 0.2 OUTLIER -128.83 151.72 49.28 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.969 0.414 . . . . 0.0 110.872 -178.304 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.632 ' HD2' ' CD1' ' A' ' 27' ' ' TYR . 1.1 m-85 -123.25 128.77 50.45 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 175.174 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -153.11 127.8 9.45 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.941 -0.304 . . . . 0.0 111.672 -177.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 62.22 43.59 8.37 Favored 'General case' 0 N--CA 1.466 0.359 0 O-C-N 123.644 0.59 . . . . 0.0 111.858 176.283 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 62.27 19.73 11.23 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.087 0.47 . . . . 0.0 111.072 -179.303 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.7 155.97 45.72 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 177.015 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.632 ' CD1' ' HD2' ' A' ' 22' ' ' TYR . 7.4 m-85 -109.45 153.07 24.55 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 -178.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.429 ' CD2' HD22 ' A' ' 33' ' ' LEU . 19.8 m95 -140.39 164.36 30.31 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.573 -173.118 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.576 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 10.0 m80 -83.33 166.41 18.49 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.097 169.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.82 -42.4 97.62 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.954 0.407 . . . . 0.0 110.425 175.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.445 ' HG2' ' OE1' ' A' ' 41' ' ' GLN . 0.3 OUTLIER -85.58 -19.91 30.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.595 -179.895 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.658 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 66.1 m -79.66 -21.37 44.87 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.329 -178.398 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.49 ' HG ' HD23 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -82.91 80.99 8.8 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.603 0.716 . . . . 0.0 109.664 173.398 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.629 ' HG3' ' HA ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -137.01 165.76 25.25 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.132 -176.374 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 50.3 t -62.27 146.49 50.81 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.619 179.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.02 -19.93 61.1 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.837 177.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.44 -46.83 3.76 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -178.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 59.3 m -86.17 -29.81 22.95 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -174.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.629 ' HA ' ' HG3' ' A' ' 34' ' ' LYS . 4.8 mp0 66.26 25.19 10.58 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 -168.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -85.49 132.08 34.26 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.687 179.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.492 ' HB3' ' HB3' ' A' ' 44' ' ' ASP . 1.6 tp60 -64.59 105.12 0.9 Allowed 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 114.71 -1.132 . . . . 0.0 110.75 -174.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.913 HD23 ' HA ' ' A' ' 58' ' ' CYS . 18.0 mt -67.08 -22.42 65.84 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.054 -177.366 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -91.91 7.0 79.43 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.207 177.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.492 ' HB3' ' HB3' ' A' ' 41' ' ' GLN . 24.3 t70 -113.7 -32.07 6.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.577 0.227 . . . . 0.0 110.716 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.431 ' HB ' ' CB ' ' A' ' 83' ' ' ASP . 34.0 pt -84.27 54.03 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.763 0.792 . . . . 0.0 110.122 175.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.724 ' HA2' ' HB3' ' A' ' 92' ' ' LEU . . . 87.83 -130.92 10.33 Favored Glycine 0 N--CA 1.441 -0.98 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.9 -174.467 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.0 m -143.04 102.1 3.94 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 174.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.6 m -161.61 158.21 25.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.821 0.344 . . . . 0.0 110.66 177.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.536 ' OG ' HG12 ' A' ' 105' ' ' ILE . 0.1 OUTLIER -166.29 138.99 3.91 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 175.417 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.415 ' O ' ' HA ' ' A' ' 56' ' ' ILE . 12.0 m-85 -118.76 117.13 28.07 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.803 -172.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.57 102.06 13.78 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.277 179.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -156.72 142.81 18.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.6 175.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.5 m 63.71 25.44 14.2 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 123.667 0.604 . . . . 0.0 111.573 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 69.94 13.02 68.99 Favored Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 111.856 -0.498 . . . . 0.0 111.856 -177.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 2.6 mtm -114.94 172.65 6.92 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.837 0.351 . . . . 0.0 110.567 -176.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.52 HG21 HD13 ' A' ' 56' ' ' ILE . 1.1 mm -126.27 92.5 2.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.531 -0.758 . . . . 0.0 109.508 176.084 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -85.93 161.84 18.84 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.061 0.458 . . . . 0.0 110.922 -176.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.913 ' HA ' HD23 ' A' ' 42' ' ' LEU . 6.0 p -80.73 -175.13 5.12 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.535 174.244 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.464 HH21 ' HA2' ' A' ' 81' ' ' GLY . 0.5 OUTLIER -84.1 3.28 35.45 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.004 0.43 . . . . 0.0 110.163 174.677 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -104.55 -49.04 3.64 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.238 0.542 . . . . 0.0 110.197 177.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.425 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 40.3 m-20 -69.48 -44.23 71.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.096 -177.426 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.489 ' HE2' ' CB ' ' A' ' 99' ' ' ASP . 69.2 t80 -53.57 -46.01 70.14 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.748 -175.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.438 ' HA ' ' CA ' ' A' ' 67' ' ' GLY . 0.6 OUTLIER -73.17 -21.39 19.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.28 -176.467 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 64' ' ' ARG . 13.2 mtt180 -86.2 -25.03 25.86 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.074 0.464 . . . . 0.0 109.917 176.251 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.2 -61.87 1.82 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.696 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.55 -44.92 1.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.626 -178.49 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.438 ' CA ' ' HA ' ' A' ' 63' ' ' ILE . . . 50.51 -158.49 1.85 Allowed Glycine 0 CA--C 1.521 0.411 0 CA-C-N 115.89 -0.595 . . . . 0.0 113.828 177.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.624 ' HB3' ' HA ' ' A' ' 99' ' ' ASP . 20.9 t-20 174.82 -59.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 123.388 0.675 . . . . 0.0 109.596 176.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.2 p -167.21 -173.94 2.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.816 178.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -145.31 -179.96 21.98 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.007 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.806 ' HB1' ' HG2' ' A' ' 96' ' ' GLU . . . -123.55 -0.93 8.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.876 0.37 . . . . 0.0 111.09 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -167.63 -57.93 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.754 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.4 ' H ' ' CD ' ' A' ' 96' ' ' GLU . . . 80.06 -100.36 1.87 Allowed Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.74 -0.743 . . . . 0.0 111.878 -178.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.67 8.97 15.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 122.767 -0.255 . . . . 0.0 111.282 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -173.48 -166.5 31.89 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.086 -1.054 . . . . 0.0 112.956 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 83.46 -124.45 6.58 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 121.29 -0.481 . . . . 0.0 111.934 -178.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 10.0 p-80 -112.48 116.21 29.9 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 177.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 59.03 47.07 12.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.843 -178.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -72.32 94.19 0.63 Allowed Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.837 -0.696 . . . . 0.0 111.41 177.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.33 -45.27 4.52 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 121.284 -0.166 . . . . 0.0 111.278 -176.139 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.464 ' HA2' HH21 ' A' ' 59' ' ' ARG . . . 63.25 -124.65 32.44 Favored Glycine 0 N--CA 1.449 -0.45 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -176.67 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -94.12 41.95 2.55 Favored Glycine 0 N--CA 1.451 -0.318 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 170.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.431 ' CB ' ' HB ' ' A' ' 45' ' ' ILE . 12.2 t70 52.75 57.4 6.41 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 114.757 -0.722 . . . . 0.0 110.844 -172.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 69.6 t -98.14 -44.36 12.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.626 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.54 -4.98 59.32 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.88 174.317 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.409 ' HA ' ' OD1' ' A' ' 83' ' ' ASP . 51.6 t 71.28 116.69 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.422 179.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.6 p -64.72 120.72 12.25 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.382 -177.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -77.04 83.28 1.07 Allowed Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.169 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -145.14 132.32 10.16 Favored Pre-proline 0 C--N 1.321 -0.644 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -59.51 -24.65 75.85 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 123.308 2.672 . . . . 0.0 113.02 -177.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.8 6.57 13.21 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.001 0.429 . . . . 0.0 110.001 178.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.724 ' HB3' ' HA2' ' A' ' 46' ' ' GLY . 1.2 mp 58.06 26.4 13.54 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.792 -176.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.91 64.48 3.97 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.103 0.478 . . . . 0.0 110.625 -179.135 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -123.04 148.34 16.77 Favored Glycine 0 N--CA 1.443 -0.834 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.451 178.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -142.89 69.91 0.42 Allowed Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.872 -0.68 . . . . 0.0 111.627 -178.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.806 ' HG2' ' HB1' ' A' ' 71' ' ' ALA . 3.7 tm-20 -73.64 116.56 14.37 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 179.111 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -166.71 173.73 9.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.81 0.338 . . . . 0.0 110.944 -176.184 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -142.05 8.82 2.47 Favored Glycine 0 N--CA 1.449 -0.495 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 174.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.624 ' HA ' ' HB3' ' A' ' 68' ' ' ASN . 0.1 OUTLIER -84.9 -141.3 0.08 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.143 -0.528 . . . . 0.0 111.406 -175.875 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -101.83 -52.7 3.12 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 114.09 1.145 . . . . 0.0 114.09 -170.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -147.89 88.89 1.7 Allowed 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 -165.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.409 ' HB2' ' H ' ' A' ' 103' ' ' ARG . 1.7 pp20? -102.05 -161.77 0.88 Allowed 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.521 170.413 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.409 ' H ' ' HB2' ' A' ' 102' ' ' GLU . 0.0 OUTLIER 46.58 46.76 14.58 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.652 -0.704 . . . . 0.0 112.728 174.693 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 19.7 tp -83.4 -0.28 49.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.584 0.707 . . . . 0.0 109.313 174.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.536 HG12 ' OG ' ' A' ' 49' ' ' SER . 0.8 OUTLIER -76.09 98.34 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.686 -179.305 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.2 m -103.61 121.82 43.72 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 171.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.32 139.28 44.19 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.383 0.611 . . . . 0.0 111.47 -173.469 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.21 103.93 3.9 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.0 177.111 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.619 ' HG2' ' HD1' ' A' ' 19' ' ' PHE . 2.5 mt-10 -73.49 154.28 39.98 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.349 -176.594 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -64.6 -46.29 83.3 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.429 -176.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.623 ' HB ' ' HB3' ' A' ' 116' ' ' ALA . 0.0 OUTLIER -124.43 54.38 1.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.128 -0.487 . . . . 0.0 112.232 -172.101 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.73 -68.61 0.63 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.812 0.339 . . . . 0.0 110.265 177.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -85.06 56.28 3.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.312 0.577 . . . . 0.0 109.463 175.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -141.96 -165.03 1.92 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.297 -173.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.75 -19.45 50.32 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -178.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.623 ' HB3' ' HB ' ' A' ' 111' ' ' THR . . . -82.37 -7.86 59.63 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.624 0.25 . . . . 0.0 111.482 -179.535 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -172.28 62.04 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.975 0.417 . . . . 0.0 110.137 178.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 138.21 -125.42 3.2 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.388 -176.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -126.22 144.96 34.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 O-C-N 122.654 -0.321 . . . . 0.0 111.197 -178.344 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.79 131.14 35.39 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 174.399 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.406 ' HB3' ' H ' ' A' ' 122' ' ' GLU . 20.8 t70 61.92 -110.07 0.37 Allowed 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -173.702 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.406 ' H ' ' HB3' ' A' ' 121' ' ' ASP . 2.4 mm-40 . . . . . 0 C--O 1.25 1.093 0 CA-C-O 117.791 -1.099 . . . . 0.0 109.183 174.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.788 0 N-CA-C 111.726 -0.55 . . . . 0.0 111.726 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.52 24.86 7.16 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.958 0.409 . . . . 0.0 110.412 -179.272 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.7 mt 61.39 31.64 19.14 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.247 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.47 1.47 57.1 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.628 179.497 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -79.03 165.84 22.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.661 -179.13 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.69 ' HG2' HD12 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -114.02 123.15 48.98 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.912 0.386 . . . . 0.0 110.693 -179.84 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.501 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -127.89 137.58 52.37 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.228 177.615 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.442 ' SG ' ' HA ' ' A' ' 28' ' ' TRP . 12.7 t -85.95 151.16 23.97 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.387 -176.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -115.35 2.03 13.87 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.1 -0.954 . . . . 0.0 109.373 173.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.891 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -92.68 -50.81 2.44 Favored Glycine 0 N--CA 1.448 -0.565 0 CA-C-N 115.472 -0.785 . . . . 0.0 112.037 -179.409 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.6 p -98.37 -23.63 15.53 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.012 175.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.35 4.69 54.93 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.36 -0.836 . . . . 0.0 113.539 173.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.91 -150.74 17.49 Favored Glycine 0 N--CA 1.434 -1.453 0 C-N-CA 120.0 -1.095 . . . . 0.0 113.046 -178.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -102.63 142.34 33.96 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 114.63 -0.785 . . . . 0.0 110.55 -179.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.56 ' HB ' ' HB3' ' A' ' 6' ' ' LYS . 2.6 mt -101.3 95.43 3.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.724 0.297 . . . . 0.0 111.206 177.19 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -105.49 6.95 32.8 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.608 0.718 . . . . 0.0 109.227 173.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -80.42 150.95 29.59 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.84 -1.073 . . . . 0.0 110.302 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.5 tpm_? -67.75 -26.28 66.05 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.31 0.576 . . . . 0.0 111.207 -178.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -106.49 112.09 24.94 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.401 -175.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.69 HD12 ' HG2' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -145.25 170.4 16.35 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.142 0.496 . . . . 0.0 111.073 -177.12 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.84 151.51 51.63 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.035 177.269 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.541 ' HD2' ' CD1' ' A' ' 27' ' ' TYR . 0.3 OUTLIER -123.22 118.08 26.79 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 173.611 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.505 ' HA ' ' O ' ' A' ' 104' ' ' LEU . . . -149.56 147.29 27.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.811 0.339 . . . . 0.0 111.666 -176.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.531 ' HB3' ' HE3' ' A' ' 24' ' ' MET . 1.5 mtp 54.82 39.02 31.22 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.267 176.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 64.58 30.73 12.64 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.249 0.547 . . . . 0.0 110.795 178.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -149.04 168.95 21.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.576 177.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.541 ' CD1' ' HD2' ' A' ' 22' ' ' TYR . 7.2 m-85 -110.34 149.82 29.66 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 178.389 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.461 ' CD2' HD21 ' A' ' 33' ' ' LEU . 18.7 m95 -144.9 178.15 8.23 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.749 -172.211 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.712 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 23.7 m80 -100.62 173.94 6.3 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 168.097 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.41 -46.28 90.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.677 0.275 . . . . 0.0 111.418 -178.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.1 ttp85 -94.58 -9.08 36.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.292 -179.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.891 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 68.4 m -78.93 -31.89 45.37 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 177.07 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.461 HD21 ' CD2' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -80.82 74.67 7.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.482 174.484 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.415 ' H ' ' HG3' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -111.69 161.09 16.64 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.885 -179.899 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.735 ' HB3' ' H ' ' A' ' 39' ' ' GLN . 5.9 t -64.03 164.43 10.6 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.749 -178.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.5 m -92.28 -15.08 27.9 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.589 175.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.489 ' HB2' ' OD2' ' A' ' 61' ' ' ASP . 2.9 m -108.42 -72.11 0.73 Allowed 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 121.015 -0.274 . . . . 0.0 111.322 179.444 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.604 ' SG ' ' HB3' ' A' ' 40' ' ' ALA . 18.5 p -80.42 -22.15 41.47 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -174.528 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.735 ' H ' ' HB3' ' A' ' 35' ' ' CYS . 1.4 mp0 65.07 19.15 11.75 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.367 0.667 . . . . 0.0 111.818 -177.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.604 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . . . -69.53 124.65 24.46 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-O 121.108 0.48 . . . . 0.0 109.894 177.068 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -51.39 103.67 0.06 Allowed 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 114.355 -1.293 . . . . 0.0 110.816 -176.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.53 HD23 ' HA ' ' A' ' 58' ' ' CYS . 2.1 mt -70.48 -20.2 62.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.966 -175.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.2 -33.42 49.41 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.355 -0.926 . . . . 0.0 111.762 176.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -76.79 -25.87 53.83 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -178.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.496 HG12 ' HA ' ' A' ' 42' ' ' LEU . 32.2 pt -79.7 -17.3 12.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.949 -179.237 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 62.5 45.9 94.92 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.535 176.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.627 HG21 ' HA2' ' A' ' 75' ' ' GLY . 0.2 OUTLIER -141.05 179.83 6.51 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.86 162.06 13.91 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.864 0.364 . . . . 0.0 111.351 -177.051 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.4 p -110.61 -174.76 2.55 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.423 175.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.53 ' HB2' ' HE3' ' A' ' 52' ' ' LYS . 34.5 m-85 -127.28 155.07 44.09 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 178.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.27 110.79 22.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.037 0.446 . . . . 0.0 111.697 178.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.782 ' HE2' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -156.73 134.01 10.58 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.663 174.569 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 m 60.03 11.7 2.8 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 123.667 0.605 . . . . 0.0 112.302 178.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 68.24 8.32 54.45 Favored Glycine 0 CA--C 1.52 0.402 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.437 -174.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.7 ttm -100.25 100.72 11.58 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 122.825 0.45 . . . . 0.0 110.517 -176.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 37.8 mt -63.12 121.02 11.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.248 -177.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.782 HD11 ' HE2' ' A' ' 52' ' ' LYS . 45.0 mt -125.54 157.87 35.99 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.0 178.197 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.605 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 10.0 p -79.02 173.56 12.45 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 174.61 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.473 ' HD3' ' OE2' ' A' ' 102' ' ' GLU . 0.3 OUTLIER -69.43 -15.67 63.33 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.01 0.433 . . . . 0.0 110.309 176.542 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -90.33 -49.61 6.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.801 179.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.605 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 17.8 m-20 -69.0 -26.25 64.92 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.728 -178.438 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.477 ' HD2' HD12 ' A' ' 63' ' ' ILE . 79.2 t80 -58.26 -40.59 82.22 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.018 175.06 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.477 HD12 ' HD2' ' A' ' 62' ' ' TYR . 10.4 mm -72.71 -25.75 22.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.705 179.34 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.447 ' HG3' ' HA ' ' A' ' 61' ' ' ASP . 6.5 mtt-85 -71.43 -40.83 70.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.943 178.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 33.5 mt -96.62 -49.74 4.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.144 -0.48 . . . . 0.0 112.284 -174.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.614 ' CZ ' ' HG3' ' A' ' 52' ' ' LYS . 16.3 m-85 -100.89 -41.56 6.79 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.851 0.358 . . . . 0.0 110.988 -174.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.81 160.15 36.29 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.862 178.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.652 ' HA ' ' HD2' ' A' ' 97' ' ' PHE . 39.8 t30 -166.25 154.81 10.86 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.326 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.454 ' HB3' ' O ' ' A' ' 91' ' ' THR . 0.8 OUTLIER -64.94 -58.26 6.59 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.838 -0.164 . . . . 0.0 110.917 -179.679 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 165.39 107.25 0.2 Allowed Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.142 -1.028 . . . . 0.0 113.422 177.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -95.67 -172.22 2.56 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 174.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -174.89 -177.75 44.23 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.357 179.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 94.71 150.6 27.27 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.375 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.48 66.64 3.26 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.33 0.586 . . . . 0.0 110.466 178.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.627 ' HA2' HG21 ' A' ' 47' ' ' THR . . . 122.95 -92.81 0.47 Allowed Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 -173.6 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 154.65 104.59 0.23 Allowed Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.9 176.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.428 ' O ' ' HB3' ' A' ' 78' ' ' MET . 27.3 t-80 -71.16 83.51 0.73 Allowed 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.506 -0.183 . . . . 0.0 110.506 -178.32 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.428 ' HB3' ' O ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER 71.78 -61.56 0.49 Allowed 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.991 -177.351 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -126.21 111.35 1.42 Allowed Glycine 0 N--CA 1.441 -0.98 0 C-N-CA 121.032 -0.604 . . . . 0.0 111.64 177.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.452 ' HG ' ' CD ' ' A' ' 102' ' ' GLU . 0.3 OUTLIER -64.92 -22.52 67.01 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.71 0.291 . . . . 0.0 111.383 -178.352 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.443 ' HA3' ' CG ' ' A' ' 96' ' ' GLU . . . -73.95 -23.26 76.73 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.671 -0.776 . . . . 0.0 111.563 176.353 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -106.22 18.83 38.5 Favored Glycine 0 N--CA 1.446 -0.7 0 N-CA-C 111.424 -0.67 . . . . 0.0 111.424 176.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -114.22 8.94 16.97 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.155 0.502 . . . . 0.0 110.315 -179.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -107.66 -179.2 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.63 175.661 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -80.27 62.39 4.4 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.203 0.525 . . . . 0.0 110.213 178.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.506 ' HB ' ' HA3' ' A' ' 94' ' ' GLY . 2.8 p -103.91 109.88 28.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.668 -177.623 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.4 t -113.34 -40.28 3.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.262 0.554 . . . . 0.0 109.827 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -151.87 150.03 21.85 Favored Glycine 0 N--CA 1.444 -0.79 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.402 178.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 57.05 76.53 0.48 Allowed Pre-proline 0 C--N 1.328 -0.343 0 C-N-CA 122.783 0.433 . . . . 0.0 111.095 -178.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_endo -80.23 47.91 2.7 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.652 2.235 . . . . 0.0 112.062 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.454 ' O ' ' HB3' ' A' ' 69' ' ' SER . 0.3 OUTLIER -72.89 -42.97 63.04 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.063 -177.905 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.6 mt -128.49 -51.9 1.27 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.061 177.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.33 105.24 10.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.207 177.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.506 ' HA3' ' HB ' ' A' ' 86' ' ' VAL . . . 94.66 13.65 52.77 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.76 -0.733 . . . . 0.0 111.953 -176.676 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -102.03 105.59 2.84 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.865 178.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.443 ' CG ' ' HA3' ' A' ' 81' ' ' GLY . 0.7 OUTLIER -101.31 171.99 7.26 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.763 0.316 . . . . 0.0 110.455 179.038 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.652 ' HD2' ' HA ' ' A' ' 68' ' ' ASN . 0.2 OUTLIER -116.54 38.32 3.47 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.806 178.187 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 103.57 66.94 0.73 Allowed Glycine 0 N--CA 1.441 -0.971 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.085 -174.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.482 ' O ' ' HB2' ' A' ' 102' ' ' GLU . 56.3 p30 -74.94 2.49 10.27 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -176.531 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.2 mp0 -77.31 -19.7 56.02 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 172.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -78.2 -8.0 57.78 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.129 176.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.482 ' HB2' ' O ' ' A' ' 99' ' ' ASP . 2.1 mt-10 -77.66 -166.5 0.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.828 177.379 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 57.77 29.01 16.76 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.624 0.726 . . . . 0.0 109.94 -176.701 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.505 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 12.2 tp -84.08 -7.11 59.47 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.835 -1.075 . . . . 0.0 111.265 -175.011 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.534 HD11 ' O ' ' A' ' 47' ' ' THR . 15.5 mt -113.85 110.28 31.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.324 0.583 . . . . 0.0 110.842 -178.551 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.475 ' HB ' ' HD1' ' A' ' 22' ' ' TYR . 18.7 m -107.77 118.28 36.33 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.073 177.539 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.16 121.22 44.32 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.035 0.445 . . . . 0.0 111.606 -172.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.495 HD22 ' HA ' ' A' ' 108' ' ' LEU . 0.4 OUTLIER -103.52 108.86 20.29 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.602 173.702 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.38 132.3 50.18 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.506 -177.035 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -64.94 -31.33 72.52 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.482 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -93.28 -1.39 56.12 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.791 0.329 . . . . 0.0 111.337 -177.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -111.62 -49.78 2.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.774 0.321 . . . . 0.0 111.14 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -86.7 -73.8 0.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.986 -178.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -156.59 139.41 15.21 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -82.85 74.47 9.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.112 0.482 . . . . 0.0 110.519 -178.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -94.8 148.98 21.72 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.53 -178.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -107.53 121.81 45.39 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.884 178.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 86.4 -113.29 3.87 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.682 -0.77 . . . . 0.0 111.256 -174.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 2.7 tp -162.6 122.52 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.141 0.496 . . . . 0.0 110.742 177.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -102.35 -80.32 0.51 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.03 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -170.01 117.87 0.57 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.494 177.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 . . . . . 0 C--O 1.251 1.164 0 CA-C-O 118.739 -0.648 . . . . 0.0 110.309 -179.696 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.836 0 N-CA-C 111.636 -0.586 . . . . 0.0 111.636 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.469 ' HB3' ' HA ' ' A' ' 26' ' ' SER . 14.7 m -130.8 29.01 4.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.889 0.376 . . . . 0.0 111.228 -179.006 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.2 mt -115.49 57.21 0.74 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.141 0.496 . . . . 0.0 110.111 177.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.468 ' HB2' ' H ' ' A' ' 5' ' ' TRP . 0.2 OUTLIER -143.15 -153.5 0.47 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.137 -176.821 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.468 ' H ' ' HB2' ' A' ' 4' ' ' SER . 0.1 OUTLIER -85.61 103.62 14.6 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 120.966 -0.293 . . . . 0.0 111.416 -177.802 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.973 ' HA ' ' HD2' ' A' ' 27' ' ' TYR . 6.3 mptt 48.67 -104.95 0.14 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.141 178.237 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.474 ' H ' ' HB3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER 65.7 92.85 0.07 Allowed 'General case' 0 C--N 1.319 -0.726 0 O-C-N 123.973 0.796 . . . . 0.0 110.743 177.614 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 27.2 t -63.01 130.35 44.32 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.643 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.407 ' HA ' ' NH2' ' A' ' 7' ' ' ARG . . . -88.06 -1.16 57.83 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.258 178.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.805 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -87.09 -54.42 2.6 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.217 179.573 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.6 p -105.09 -44.04 4.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.928 0.395 . . . . 0.0 110.693 178.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 110.19 106.45 2.98 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.705 -0.759 . . . . 0.0 111.995 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 153.93 149.76 5.3 Favored Glycine 0 N--CA 1.432 -1.597 0 C-N-CA 120.892 -0.67 . . . . 0.0 111.711 -178.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt -67.26 98.6 0.63 Allowed 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.407 HG23 HD21 ' A' ' 20' ' ' LEU . 4.1 mt -51.32 -72.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.015 -0.993 . . . . 0.0 112.07 -172.645 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.403 ' HB3' ' CZ3' ' A' ' 5' ' ' TRP . . . 60.15 18.58 7.93 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.136 0.493 . . . . 0.0 111.78 -179.497 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -85.63 162.32 18.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.167 179.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.618 ' C ' ' HB2' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -83.78 8.13 15.67 Favored 'General case' 0 C--O 1.214 -0.768 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.131 177.044 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.645 ' HD1' ' HB2' ' A' ' 108' ' ' LEU . 6.7 m-85 -153.22 111.94 3.72 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 122.016 -0.428 . . . . 0.0 110.901 175.57 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.785 ' O ' ' HA ' ' A' ' 108' ' ' LEU . 1.9 pp -155.51 145.97 21.96 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.881 178.372 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.571 HD23 HG12 ' A' ' 105' ' ' ILE . 0.3 OUTLIER -92.89 142.38 27.38 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.985 -179.888 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.611 ' HD2' ' CD1' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -113.23 127.59 56.21 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 171.65 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -150.18 135.69 18.19 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 121.252 -0.179 . . . . 0.0 111.043 -177.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 1.5 mmm 62.49 31.82 16.88 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.65 -178.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 61.69 13.54 5.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.835 -177.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.469 ' HA ' ' HB3' ' A' ' 2' ' ' SER . 0.7 OUTLIER -110.61 152.9 25.91 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 171.513 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.973 ' HD2' ' HA ' ' A' ' 6' ' ' LYS . 9.7 m-30 -102.71 140.01 37.55 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 -176.213 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.425 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 42.2 m95 -138.84 -178.71 5.44 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.403 -171.07 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.61 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 14.1 m80 -100.34 163.03 12.57 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 165.154 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.65 -43.45 89.79 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.952 0.406 . . . . 0.0 111.01 179.545 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.1 ttm-85 -95.12 -3.9 47.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.767 -178.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.805 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 17.2 m -84.36 -38.5 20.23 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.766 178.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.5 ' C ' ' HG3' ' A' ' 34' ' ' LYS . 14.9 tp -63.75 -55.61 21.9 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 175.311 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.5 ' HG3' ' C ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER 42.13 -178.69 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 172.225 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.443 ' O ' ' HD2' ' A' ' 34' ' ' LYS . 3.4 m -83.93 169.78 14.69 Favored 'General case' 0 N--CA 1.431 -1.402 0 CA-C-N 112.43 -2.168 . . . . 0.0 111.103 -172.223 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.511 ' OG ' HD23 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -90.2 -49.12 6.74 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.608 174.854 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.83 -51.22 2.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.88 -177.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -34.95 79.17 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -176.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.425 ' H ' ' CB ' ' A' ' 35' ' ' CYS . 2.3 mp0 63.97 40.19 7.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.836 -177.459 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -98.69 -161.67 0.89 Allowed 'General case' 0 N--CA 1.441 -0.908 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 174.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.651 ' HB3' ' HB2' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -100.88 121.58 41.97 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.09 177.43 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.551 HD21 ' HB3' ' A' ' 58' ' ' CYS . 0.0 OUTLIER -62.85 -33.18 74.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.034 -174.417 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -95.92 -2.29 61.13 Favored Glycine 0 C--N 1.329 0.17 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.703 -178.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.651 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . 25.8 t0 -85.29 -27.3 26.06 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.349 0.595 . . . . 0.0 110.314 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.5 pt -87.73 3.11 5.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.779 178.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 123.25 -168.47 15.45 Favored Glycine 0 N--CA 1.445 -0.709 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 -176.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.455 HG21 ' HE2' ' A' ' 113' ' ' PHE . 0.2 OUTLIER -97.99 101.28 12.72 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 117.462 0.631 . . . . 0.0 109.766 176.145 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.425 ' O ' HD13 ' A' ' 105' ' ' ILE . 4.2 m -161.39 140.98 10.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.764 0.316 . . . . 0.0 111.534 -179.061 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.48 132.29 4.51 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.059 177.095 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.5 ' CE2' ' HG3' ' A' ' 102' ' ' GLU . 21.0 m-85 -112.27 128.49 56.28 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -112.19 101.63 9.86 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.889 0.376 . . . . 0.0 110.608 177.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -142.97 140.89 31.26 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 25.1 m 64.52 23.93 12.99 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 123.462 0.476 . . . . 0.0 111.331 -178.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 69.27 16.5 71.23 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.776 -0.725 . . . . 0.0 111.683 -175.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -103.57 167.13 9.99 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.779 0.323 . . . . 0.0 110.447 -177.506 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.6 mp -124.07 112.75 33.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.44 175.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.638 ' HB3' ' HB3' ' A' ' 61' ' ' ASP . 0.1 OUTLIER -126.36 148.39 49.59 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.171 -174.402 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.551 ' HB3' HD21 ' A' ' 42' ' ' LEU . 16.6 p -77.93 -173.85 3.3 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 171.432 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.783 ' HB3' ' HA3' ' A' ' 82' ' ' GLY . 10.5 tpt180 -71.79 -28.92 63.93 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.674 0.273 . . . . 0.0 110.744 177.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.405 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . 38.3 t30 -77.99 -42.42 32.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.928 0.394 . . . . 0.0 110.453 176.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.638 ' HB3' ' HB3' ' A' ' 57' ' ' LEU . 2.5 m-20 -59.7 -39.36 84.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.595 179.176 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -57.67 -42.41 83.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.353 179.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.524 ' HA ' ' HA3' ' A' ' 67' ' ' GLY . 30.3 mm -72.33 -28.06 27.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.253 0.549 . . . . 0.0 110.782 179.146 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -70.24 -41.41 73.58 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.805 177.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.0 mp -90.21 -57.34 2.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.888 -175.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -118.28 31.87 6.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.755 0.312 . . . . 0.0 111.243 -176.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.675 ' HA2' ' HE2' ' A' ' 97' ' ' PHE . . . -103.64 -91.2 2.19 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.389 -0.91 . . . . 0.0 112.19 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 51.5 t30 72.53 -57.49 0.63 Allowed 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.394 0.677 . . . . 0.0 111.352 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.5 154.58 22.62 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.54 176.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.568 ' HA2' ' HA2' ' A' ' 95' ' ' GLY . . . -90.89 -100.6 1.21 Allowed Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.055 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -141.11 -18.51 0.81 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.006 0.431 . . . . 0.0 110.814 178.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 76.27 -162.49 52.48 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.196 -179.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.08 -16.25 80.88 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.134 178.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.9 -49.06 13.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.89 0.376 . . . . 0.0 110.623 -179.581 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.81 -60.05 4.89 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.764 -0.732 . . . . 0.0 111.588 -177.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 88.67 -73.85 2.15 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.343 177.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -130.6 174.04 10.3 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 178.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.86 50.08 0.09 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.086 0.469 . . . . 0.0 110.231 178.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -111.06 -50.31 0.64 Allowed Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.795 -0.717 . . . . 0.0 111.898 -178.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.52 161.52 29.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.832 0.348 . . . . 0.0 110.706 179.475 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.533 ' HA3' HG22 ' A' ' 91' ' ' THR . . . -136.42 -65.3 0.06 OUTLIER Glycine 0 N--CA 1.444 -0.825 0 C-N-CA 120.925 -0.655 . . . . 0.0 111.886 179.06 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.783 ' HA3' ' HB3' ' A' ' 59' ' ' ARG . . . 59.1 44.46 96.32 Favored Glycine 0 C--N 1.329 0.148 0 C-N-CA 121.267 -0.492 . . . . 0.0 112.517 178.253 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.481 ' HB3' HG21 ' A' ' 86' ' ' VAL . 3.6 t70 -102.96 164.81 11.39 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 -178.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -92.09 -14.96 8.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.107 0.48 . . . . 0.0 110.613 178.38 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 26.2 mtt -104.75 -123.7 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.036 178.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.847 HG22 ' HA ' ' A' ' 91' ' ' THR . 15.4 t 56.06 68.87 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-O 121.403 0.62 . . . . 0.0 111.693 176.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.5 t -108.62 -54.72 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 175.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -119.48 -7.71 9.7 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.182 174.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.61 150.54 37.07 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -62.71 150.11 89.05 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.654 2.236 . . . . 0.0 112.14 -178.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.847 ' HA ' HG22 ' A' ' 86' ' ' VAL . 0.2 OUTLIER -54.24 115.14 1.91 Allowed 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.716 -178.231 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.8 mp -76.9 -81.0 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.066 -176.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.453 ' HB3' ' H ' ' A' ' 94' ' ' GLY . 0.0 OUTLIER 55.57 -101.4 0.13 Allowed 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.379 0.424 . . . . 0.0 111.084 -178.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.453 ' H ' ' HB3' ' A' ' 93' ' ' MET . . . 121.28 -66.34 0.46 Allowed Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.975 -0.631 . . . . 0.0 111.792 -179.652 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.568 ' HA2' ' HA2' ' A' ' 70' ' ' GLY . . . -70.88 111.76 3.89 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.913 -0.66 . . . . 0.0 111.974 177.079 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.589 ' HA ' ' NH2' ' A' ' 59' ' ' ARG . 1.2 tm-20 -100.82 124.47 46.54 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.644 0.259 . . . . 0.0 110.332 -179.607 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.675 ' HE2' ' HA2' ' A' ' 67' ' ' GLY . 2.2 m-85 -140.24 32.88 1.91 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.256 0.551 . . . . 0.0 110.857 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.45 -139.59 20.39 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.624 177.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -170.33 1.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.606 0.241 . . . . 0.0 111.403 -178.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -64.34 -22.93 67.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.856 0.36 . . . . 0.0 111.617 -177.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.468 ' HB3' ' CE1' ' A' ' 50' ' ' TYR . 3.7 t0 -107.8 9.16 29.01 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.249 0.547 . . . . 0.0 110.353 -179.632 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.5 ' HG3' ' CE2' ' A' ' 50' ' ' TYR . 1.9 tt0 -101.1 -172.02 2.1 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.151 179.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.426 ' HD3' ' HB3' ' A' ' 102' ' ' GLU . 0.0 OUTLIER 52.85 44.72 29.97 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.274 -0.875 . . . . 0.0 112.552 173.018 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.8 mt -96.03 8.39 43.85 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.271 0.558 . . . . 0.0 110.073 177.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.571 HG12 HD23 ' A' ' 21' ' ' LEU . 10.5 mt -86.69 126.8 40.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.3 -177.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.443 ' HB ' ' HB2' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -100.45 126.79 46.88 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 169.707 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.402 ' H ' ' HG3' ' A' ' 107' ' ' ARG . 0.0 OUTLIER -64.4 163.41 13.24 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -171.198 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.785 ' HA ' ' O ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -63.33 -174.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.241 -1.345 . . . . 0.0 111.991 -178.006 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.618 ' HB2' ' C ' ' A' ' 18' ' ' ARG . 5.9 mm-40 -82.03 84.12 7.08 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 121.689 0.757 . . . . 0.0 111.925 -173.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 26.2 p30 -162.03 20.3 0.1 Allowed 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.489 -179.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 25.4 m 71.8 -49.65 0.69 Allowed 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 176.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.63 160.95 37.77 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 178.073 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.455 ' HE2' HG21 ' A' ' 47' ' ' THR . 0.1 OUTLIER -62.46 -26.18 68.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.543 0.211 . . . . 0.0 110.824 179.871 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -70.56 95.59 1.1 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 171.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -72.57 94.99 1.77 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.927 -172.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -101.01 69.53 1.31 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.92 175.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -73.18 -33.94 65.72 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.006 -179.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 160.08 -166.18 35.04 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.304 177.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 5.7 tp -91.69 -25.04 5.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 176.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -118.27 120.33 37.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.491 174.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -108.16 -97.62 0.37 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.106 -178.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 . . . . . 0 C--O 1.251 1.159 0 CA-C-O 118.072 -0.966 . . . . 0.0 109.13 176.715 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.724 0 N-CA-C 111.922 -0.471 . . . . 0.0 111.922 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 51.28 43.86 29.12 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.019 0.438 . . . . 0.0 111.342 -179.211 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.489 HD21 ' HA ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -90.48 53.01 2.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.2 0.524 . . . . 0.0 110.777 -178.817 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.82 176.06 8.32 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.595 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -101.12 149.68 23.71 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 178.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.63 ' HA ' ' HD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -67.85 89.77 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.305 -177.038 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.413 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -130.6 138.98 50.39 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.725 176.184 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.1 t -79.7 149.14 31.3 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.426 -176.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -112.26 -0.05 15.6 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.558 173.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.58 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -92.14 -59.2 1.32 Allowed Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.03 179.095 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.3 p -93.79 -34.07 13.33 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 174.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 109.7 -3.57 30.65 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.545 -0.836 . . . . 0.0 113.616 171.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.92 -155.68 21.68 Favored Glycine 0 N--CA 1.432 -1.595 0 C-N-CA 120.012 -1.09 . . . . 0.0 112.366 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.47 149.47 24.81 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-N 115.003 -0.598 . . . . 0.0 110.159 176.449 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.712 HD12 HD12 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -100.25 105.16 17.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.178 0.513 . . . . 0.0 111.086 -179.733 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -115.18 13.76 16.84 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.612 0.72 . . . . 0.0 109.283 175.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.3 173.0 13.02 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.828 -1.078 . . . . 0.0 110.092 178.17 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.622 ' HA ' ' HA3' ' A' ' 118' ' ' GLY . 36.1 ttm-85 -91.08 -31.09 16.39 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.384 0.612 . . . . 0.0 109.677 178.055 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -100.99 113.28 26.12 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.942 179.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.712 HD12 HD12 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -141.41 159.97 41.12 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.884 0.373 . . . . 0.0 110.683 -178.733 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.529 HD21 HD23 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -123.51 146.43 48.09 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.962 -179.462 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.465 ' HD1' ' CD1' ' A' ' 27' ' ' TYR . 1.7 m-85 -112.75 117.68 32.89 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 173.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.476 ' HB2' HD12 ' A' ' 104' ' ' LEU . . . -146.52 131.16 17.85 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.908 -0.133 . . . . 0.0 110.937 -176.33 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.496 ' HG3' HD13 ' A' ' 104' ' ' LEU . 9.9 mtm 64.38 29.7 13.45 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 123.622 0.576 . . . . 0.0 110.917 -179.096 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 64.61 15.61 9.8 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.976 -176.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.18 167.75 11.53 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 173.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.63 ' HD2' ' HA ' ' A' ' 6' ' ' LYS . 11.1 m-85 -111.3 151.31 28.52 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.533 -178.556 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 29.7 m95 -142.81 171.73 13.65 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.922 -173.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.657 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 27.4 m80 -96.59 163.3 13.08 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 168.673 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.13 -45.61 83.37 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -175.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.453 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.7 OUTLIER -99.0 -0.79 41.32 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 121.102 -0.239 . . . . 0.0 111.166 -179.685 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.657 ' SG ' ' HB2' ' A' ' 29' ' ' HIS . 22.2 m -79.3 -30.39 42.86 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 174.453 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.615 ' O ' ' HB2' ' A' ' 42' ' ' LEU . 8.9 tp -86.32 61.19 6.68 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.377 -0.829 . . . . 0.0 108.795 169.414 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.453 ' HB3' ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -92.87 157.98 16.09 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.948 -178.229 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.467 ' SG ' ' HA ' ' A' ' 57' ' ' LEU . 0.1 OUTLIER -75.43 -176.19 3.08 Favored 'General case' 0 N--CA 1.438 -1.029 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.271 -178.763 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -106.51 -45.76 4.17 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.902 -179.146 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.461 ' HG ' ' CG ' ' A' ' 61' ' ' ASP . 45.5 p -103.44 -40.85 6.19 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.744 -177.343 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.425 ' SG ' ' HB2' ' A' ' 40' ' ' ALA . 0.6 OUTLIER -86.78 -21.12 26.7 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 119.983 -0.687 . . . . 0.0 109.514 176.871 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 45.33 42.86 7.78 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 114.753 -1.112 . . . . 0.0 111.758 174.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.425 ' HB2' ' SG ' ' A' ' 38' ' ' CYS . . . -89.69 169.17 11.53 Favored 'General case' 0 N--CA 1.428 -1.535 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.364 177.284 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -78.36 87.59 4.39 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-N 114.779 -1.1 . . . . 0.0 109.364 176.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.615 ' HB2' ' O ' ' A' ' 33' ' ' LEU . 6.0 mt -59.51 -27.8 66.48 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.368 -176.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.55 -0.35 67.28 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.701 -0.681 . . . . 0.0 113.427 179.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.63 -29.93 14.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.03 0.443 . . . . 0.0 110.578 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 7.7 pt -93.98 -33.81 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.464 -177.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.723 ' HA2' HG21 ' A' ' 105' ' ' ILE . . . 70.54 21.71 77.71 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.857 178.291 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.493 ' O ' HD11 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -91.09 -167.58 1.85 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.815 0.341 . . . . 0.0 111.122 -179.114 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.74 134.24 39.23 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.736 -173.657 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.472 ' HG ' ' CG1' ' A' ' 105' ' ' ILE . 2.1 p -129.9 152.34 49.47 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.204 176.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.422 ' HH ' ' HG2' ' A' ' 102' ' ' GLU . 31.7 m-85 -124.3 155.28 38.95 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.628 0.251 . . . . 0.0 110.629 -176.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.1 m -118.67 111.71 18.87 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.622 -175.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -153.71 143.32 21.74 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.748 176.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 71.9 m 67.14 21.26 10.12 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.555 0.534 . . . . 0.0 111.441 -176.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 69.99 17.54 73.71 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.815 -0.707 . . . . 0.0 111.491 -176.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.01 164.97 13.91 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.842 0.353 . . . . 0.0 110.597 -176.447 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 44.2 mm -117.11 128.89 74.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.611 178.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.822 ' HB3' ' HB3' ' A' ' 61' ' ' ASP . 0.7 OUTLIER -138.41 145.08 40.56 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 -175.12 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.565 ' HB3' HD23 ' A' ' 42' ' ' LEU . 30.4 p -76.82 174.91 9.96 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 173.224 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.488 ' O ' HG12 ' A' ' 63' ' ' ILE . 4.0 tpp85 -58.59 -40.01 81.96 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.963 0.411 . . . . 0.0 110.539 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -66.28 -42.71 88.06 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.949 177.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.822 ' HB3' ' HB3' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -62.06 -41.92 98.65 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.937 177.504 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -54.9 -52.16 63.77 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.571 -176.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.488 HG12 ' O ' ' A' ' 59' ' ' ARG . 2.1 mm -68.48 -29.66 44.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.027 0.442 . . . . 0.0 110.914 -179.262 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -69.85 -41.09 75.35 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.73 178.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.453 ' HA ' HD12 ' A' ' 65' ' ' LEU . 0.4 OUTLIER -86.0 -57.93 2.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.147 -173.916 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.541 ' HE2' HD11 ' A' ' 57' ' ' LEU . 3.5 m-85 -122.2 19.48 10.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.669 -0.241 . . . . 0.0 111.186 -174.451 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.545 ' HA2' ' HE1' ' A' ' 97' ' ' PHE . . . -68.21 -13.35 64.63 Favored Glycine 0 C--O 1.236 0.274 0 C-N-CA 121.278 -0.487 . . . . 0.0 113.137 -178.174 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.502 ' HB3' ' H ' ' A' ' 69' ' ' SER . 8.8 t-20 57.8 -112.1 0.63 Allowed 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 122.983 0.513 . . . . 0.0 111.418 177.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.502 ' H ' ' HB3' ' A' ' 68' ' ' ASN . 0.9 OUTLIER -83.82 30.85 0.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.621 -178.672 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 68.29 52.13 28.7 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 121.149 -0.548 . . . . 0.0 112.604 178.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.47 ' O ' ' HA ' ' A' ' 96' ' ' GLU . . . -79.53 61.83 3.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.198 0.523 . . . . 0.0 110.862 -179.456 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.485 ' HA2' ' HA ' ' A' ' 96' ' ' GLU . . . -139.0 108.88 0.62 Allowed Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.731 179.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.408 ' N ' ' HG2' ' A' ' 96' ' ' GLU . . . -130.91 78.61 0.37 Allowed Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.07 -179.508 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.47 132.1 44.26 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.594 0.235 . . . . 0.0 110.443 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 176.75 178.91 46.87 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 121.05 -0.595 . . . . 0.0 111.996 -178.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -84.89 -13.63 71.68 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.976 -178.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -71.3 -27.19 63.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.76 0.28 . . . . 0.0 111.0 -179.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.89 -50.06 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.016 0.436 . . . . 0.0 110.016 179.264 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.559 ' O ' ' HG3' ' A' ' 96' ' ' GLU . . . 78.59 -102.54 1.87 Allowed Glycine 0 N--CA 1.442 -0.941 0 C-N-CA 120.89 -0.671 . . . . 0.0 111.865 -178.276 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -94.23 133.96 37.2 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 120.975 0.417 . . . . 0.0 110.562 177.735 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 147.93 60.35 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -177.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -101.88 41.04 2.22 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.269 -177.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -123.54 172.98 8.34 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 176.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 22.0 t 60.22 71.84 0.1 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.33 0 O-C-N 123.804 0.69 . . . . 0.0 109.776 -176.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 75.58 172.75 0.25 Allowed 'General case' 0 C--O 1.232 0.147 0 CA-C-N 114.766 -1.107 . . . . 0.0 110.384 -173.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.406 HG22 ' O ' ' A' ' 93' ' ' MET . 0.5 OUTLIER 88.11 -19.76 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 C-N-CA 123.965 0.906 . . . . 0.0 111.142 -176.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -90.02 98.05 7.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.48 177.302 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 104.41 -61.71 0.4 Allowed Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.365 -179.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.436 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 0.0 OUTLIER -75.98 150.87 83.85 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-O 120.731 0.3 . . . . 0.0 110.619 179.894 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 89' ' ' GLU . 5.3 Cg_exo -76.94 51.17 3.32 Favored 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 123.299 2.666 . . . . 0.0 112.548 -178.274 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 68.7 m -76.06 129.51 36.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.184 178.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -89.63 75.28 7.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.855 0.36 . . . . 0.0 110.566 -178.244 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.406 ' O ' HG22 ' A' ' 86' ' ' VAL . 0.2 OUTLIER -165.59 -161.04 0.49 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.913 -179.31 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 60.26 -156.84 29.22 Favored Glycine 0 N--CA 1.45 -0.377 0 O-C-N 123.454 0.471 . . . . 0.0 113.526 176.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -171.84 -126.86 0.91 Allowed Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 111.34 -0.704 . . . . 0.0 111.34 179.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.559 ' HG3' ' O ' ' A' ' 79' ' ' GLY . 0.1 OUTLIER -77.63 128.12 33.58 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 174.36 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.545 ' HE1' ' HA2' ' A' ' 67' ' ' GLY . 1.3 p90 -84.47 166.63 17.12 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.503 -178.554 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.98 6.55 56.94 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.727 -0.749 . . . . 0.0 111.393 -174.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 102' ' ' GLU . 0.2 OUTLIER -66.64 -21.62 66.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.026 0.441 . . . . 0.0 110.909 -179.604 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.28 -17.52 63.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 177.422 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -107.17 18.16 22.04 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.025 0.44 . . . . 0.0 110.858 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.422 ' HG2' ' HH ' ' A' ' 50' ' ' TYR . 1.2 mm-40 -68.23 167.65 13.88 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.192 -179.671 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.48 71.02 0.54 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.05 178.476 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.513 ' HA ' HD22 ' A' ' 104' ' ' LEU . 0.1 OUTLIER -113.53 -41.9 3.55 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.886 -179.825 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.723 HG21 ' HA2' ' A' ' 46' ' ' GLY . 54.2 mt -85.36 120.44 35.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.238 0.542 . . . . 0.0 111.639 -177.474 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 81.5 m -126.0 101.54 6.85 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 171.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.37 153.99 30.01 Favored 'General case' 0 C--N 1.318 -0.784 0 O-C-N 121.721 -0.612 . . . . 0.0 111.381 -170.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.44 104.14 3.89 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.513 176.29 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.528 ' HG3' ' CB ' ' A' ' 112' ' ' GLN . 4.0 pt-20 -114.84 140.26 49.09 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.51 -175.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.56 -60.39 3.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.74 -176.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -80.75 59.33 3.62 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -176.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.528 ' CB ' ' HG3' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -174.91 -50.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.217 177.661 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -83.03 164.13 20.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.447 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -72.66 -46.72 52.49 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.096 0.474 . . . . 0.0 110.329 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -83.37 160.14 21.69 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.676 177.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -90.64 177.4 6.36 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.668 179.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.517 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 9.0 t-20 -149.32 172.78 14.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.264 177.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.622 ' HA3' ' HA ' ' A' ' 18' ' ' ARG . . . 80.48 -71.23 2.86 Favored Glycine 0 N--CA 1.45 -0.419 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 -176.178 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 5.0 mm -111.14 57.5 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 172.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.22 132.62 34.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.837 -174.415 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -100.63 108.86 20.85 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.694 -178.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.789 -0.624 . . . . 0.0 109.376 178.484 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.654 0 N-CA-C 112.0 -0.44 . . . . 0.0 112.0 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.4 m -93.29 136.79 33.22 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.988 0.423 . . . . 0.0 110.674 179.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.1 tp -137.65 171.33 14.61 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.607 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.482 ' HB3' ' CE2' ' A' ' 27' ' ' TYR . 74.0 m -77.24 72.23 3.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.417 0.627 . . . . 0.0 110.532 178.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.517 ' CE3' ' HB3' ' A' ' 14' ' ' LYS . 24.0 m95 -74.7 -80.67 0.08 Allowed 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.743 -178.535 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.626 ' HE3' ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 55.35 -128.99 2.12 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.659 179.767 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.11 153.42 9.95 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.817 172.309 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 53.9 t -75.59 134.53 40.66 Favored 'General case' 0 N--CA 1.439 -1.016 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.579 175.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -92.98 0.93 57.51 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.965 176.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.812 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -94.58 -56.57 1.33 Allowed Glycine 0 N--CA 1.444 -0.807 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.553 -179.18 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.1 p -103.88 -24.96 13.23 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.823 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 88.09 109.0 1.01 Allowed Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.581 -179.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 154.94 143.37 3.65 Favored Glycine 0 N--CA 1.434 -1.446 0 C-N-CA 120.716 -0.754 . . . . 0.0 111.813 -177.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.517 ' HB3' ' CE3' ' A' ' 5' ' ' TRP . 0.0 OUTLIER -60.57 122.71 15.36 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.339 -0.431 . . . . 0.0 110.057 177.594 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.612 HG21 ' HB3' ' A' ' 20' ' ' LEU . 1.7 mt -89.77 -94.96 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 111.776 0.288 . . . . 0.0 111.776 -174.189 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.483 ' H ' ' HB ' ' A' ' 15' ' ' ILE . . . 60.05 30.67 20.13 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.212 0.53 . . . . 0.0 110.391 -174.055 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.68 166.16 22.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.111 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -71.16 -31.39 67.63 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 174.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -119.31 95.97 5.02 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.601 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.612 ' HB3' HG21 ' A' ' 15' ' ' ILE . 0.2 OUTLIER -133.33 176.43 8.53 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.231 0.538 . . . . 0.0 110.603 176.738 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.588 HD11 ' HG2' ' A' ' 107' ' ' ARG . 0.2 OUTLIER -129.63 162.05 29.17 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.227 177.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.585 ' HD1' ' HB ' ' A' ' 106' ' ' THR . 0.4 OUTLIER -135.09 134.8 40.68 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 174.124 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 1.033 ' HB2' ' HA ' ' A' ' 84' ' ' VAL . . . -149.43 108.26 3.86 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.302 -176.493 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.492 ' HG3' ' HB ' ' A' ' 84' ' ' VAL . 0.0 OUTLIER 60.14 59.98 2.21 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.673 -179.546 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 71.58 -33.56 0.27 Allowed 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 178.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.46 148.65 24.86 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.687 0.279 . . . . 0.0 110.496 -179.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.626 ' CE2' ' HE3' ' A' ' 6' ' ' LYS . 8.9 m-30 -96.84 162.05 13.59 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.915 0.388 . . . . 0.0 110.407 -178.017 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.674 ' HZ2' ' HA ' ' A' ' 85' ' ' MET . 70.2 m95 -146.82 178.25 8.47 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.697 -176.28 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.667 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 24.5 m80 -101.85 162.72 12.69 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 164.016 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.477 ' HA ' HD12 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -72.15 -18.46 61.88 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.221 -0.591 . . . . 0.0 110.691 -179.079 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -94.9 -27.72 15.56 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.367 175.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.812 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 58.8 m -78.49 -16.58 57.35 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.093 0.473 . . . . 0.0 109.929 176.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.632 HD22 ' HB3' ' A' ' 83' ' ' ASP . 0.2 OUTLIER -75.41 77.39 2.47 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 167.781 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.72 162.44 26.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.155 -166.425 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.658 ' HB3' ' H ' ' A' ' 39' ' ' GLN . 0.3 OUTLIER -75.51 166.34 23.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.597 176.739 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.424 ' OG ' HG12 ' A' ' 56' ' ' ILE . 1.5 m -99.4 7.17 45.74 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 166.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.479 ' HB2' ' OD2' ' A' ' 61' ' ' ASP . 0.3 OUTLIER -121.9 -77.05 0.58 Allowed 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.997 -176.265 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 22.7 p -79.42 -26.25 41.89 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.731 0.301 . . . . 0.0 110.933 -178.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.658 ' H ' ' HB3' ' A' ' 35' ' ' CYS . 59.0 mt-30 55.03 39.44 31.59 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.245 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -84.45 -154.36 0.17 Allowed 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.785 177.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.968 ' HG2' ' HB2' ' A' ' 44' ' ' ASP . 0.8 OUTLIER -94.73 87.28 4.99 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 121.202 0.525 . . . . 0.0 109.842 176.736 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.534 ' CD2' ' HA2' ' A' ' 82' ' ' GLY . 5.0 mp -79.36 -6.73 57.44 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.202 -178.373 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -105.74 38.54 3.25 Favored Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.093 177.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.968 ' HB2' ' HG2' ' A' ' 41' ' ' GLN . 0.3 OUTLIER -152.38 48.33 0.75 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.531 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.5 HD11 ' HB2' ' A' ' 80' ' ' SER . 1.0 OUTLIER -135.22 9.79 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.495 -173.112 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 102.05 -122.81 7.67 Favored Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 -173.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.433 ' HA ' ' HB ' ' A' ' 105' ' ' ILE . 1.4 t -144.47 99.32 3.34 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.834 0.826 . . . . 0.0 111.183 170.222 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.469 ' HA ' ' O ' ' A' ' 103' ' ' ARG . 0.0 OUTLIER -166.16 113.86 0.91 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.426 170.675 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.582 ' HA ' ' N ' ' A' ' 82' ' ' GLY . 1.8 p -107.81 177.76 4.72 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 178.319 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.6 ' HE2' ' HA ' ' A' ' 59' ' ' ARG . 2.5 m-85 -133.0 101.42 5.22 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.533 177.05 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.655 HG22 HG22 ' A' ' 86' ' ' VAL . 0.2 OUTLIER -89.82 102.57 15.27 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.437 178.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.8 tptt -149.73 126.02 10.77 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 121.251 -0.18 . . . . 0.0 111.066 -178.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 58.6 m 61.97 13.09 5.33 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 174.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.537 ' HA3' ' HD2' ' A' ' 90' ' ' PRO . . . 69.81 25.82 75.12 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 119.687 -1.244 . . . . 0.0 110.459 -172.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.464 ' HE1' ' HB2' ' A' ' 55' ' ' MET . 0.0 OUTLIER -119.09 138.88 52.58 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.914 HD13 ' HB ' ' A' ' 86' ' ' VAL . 0.1 OUTLIER -92.53 125.13 45.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.299 179.631 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -135.21 151.31 50.5 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.636 179.657 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.665 ' HA ' ' HA3' ' A' ' 81' ' ' GLY . 9.8 p -89.08 -175.77 4.92 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 171.241 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.724 ' HB2' ' HA ' ' A' ' 80' ' ' SER . 9.7 tpt180 -63.36 -46.51 86.23 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.694 -0.402 . . . . 0.0 109.926 177.708 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.79 -46.74 80.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.246 178.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.647 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 22.3 m-20 -75.77 -19.97 58.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.526 -174.474 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -66.79 -45.82 77.23 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 174.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.684 HD13 ' HZ ' ' A' ' 97' ' ' PHE . 2.5 mm -69.97 -23.74 25.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.293 0.568 . . . . 0.0 110.451 177.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.487 ' HB3' ' HA ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -76.26 -48.67 19.43 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.822 179.838 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.76 -34.21 15.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.974 -174.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -126.67 25.39 6.43 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.466 -174.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.488 ' HA2' ' CE1' ' A' ' 97' ' ' PHE . . . -65.11 -32.19 83.24 Favored Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 175.378 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -118.84 82.32 1.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 173.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.58 -13.11 28.09 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.225 -172.294 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 133.61 -34.76 2.37 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.636 -0.792 . . . . 0.0 111.921 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.451 ' HB2' ' CB ' ' A' ' 96' ' ' GLU . . . -135.68 161.67 34.9 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 177.347 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -104.8 -130.78 6.9 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.405 -178.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.35 63.01 1.82 Allowed Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.179 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.728 ' HB3' ' HB3' ' A' ' 99' ' ' ASP . 0.7 OUTLIER -140.05 134.16 30.99 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.672 0.272 . . . . 0.0 110.749 -178.791 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -147.5 -0.25 0.61 Allowed Glycine 0 CA--C 1.519 0.343 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.949 -179.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -95.49 161.74 23.2 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.54 -178.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -127.86 -24.64 3.19 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.809 0.337 . . . . 0.0 111.211 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.1 tpt -76.9 129.69 36.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.222 -177.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.538 ' O ' ' HD3' ' A' ' 59' ' ' ARG . . . 124.78 124.48 2.84 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.355 178.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.724 ' HA ' ' HB2' ' A' ' 59' ' ' ARG . 3.1 m -101.02 -165.3 1.19 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 178.363 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.665 ' HA3' ' HA ' ' A' ' 58' ' ' CYS . . . -123.57 160.49 18.1 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.841 -177.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.796 ' HA3' HD13 ' A' ' 105' ' ' ILE . . . 178.29 -169.48 41.22 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 121.104 -0.569 . . . . 0.0 112.456 -179.251 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.632 ' HB3' HD22 ' A' ' 33' ' ' LEU . 2.8 t0 -95.21 159.38 15.04 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 122.973 0.509 . . . . 0.0 111.724 -178.091 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 1.033 ' HA ' ' HB2' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -159.04 53.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.936 175.322 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.674 ' HA ' ' HZ2' ' A' ' 28' ' ' TRP . 2.7 tpt 61.61 44.08 9.38 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.825 0.821 . . . . 0.0 109.103 -172.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.914 ' HB ' HD13 ' A' ' 56' ' ' ILE . 10.7 t -98.6 3.1 10.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 114.733 -1.121 . . . . 0.0 110.016 -175.699 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.571 HG22 ' CH2' ' A' ' 28' ' ' TRP . 4.4 m -79.16 169.09 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.138 177.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 90.5 -133.38 11.77 Favored Glycine 0 N--CA 1.443 -0.859 0 N-CA-C 111.499 -0.641 . . . . 0.0 111.499 -177.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -142.04 67.82 22.41 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-O 120.963 0.411 . . . . 0.0 110.377 175.445 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.537 ' HD2' ' HA3' ' A' ' 54' ' ' GLY . 4.8 Cg_exo -73.49 135.65 22.49 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 122.653 2.235 . . . . 0.0 111.357 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.04 55.61 1.82 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.205 0.526 . . . . 0.0 111.04 -179.552 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.79 126.13 28.43 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.657 -179.33 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -70.48 143.62 51.66 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.415 179.553 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -78.77 171.57 55.13 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.204 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -159.82 -143.43 3.66 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.892 -0.671 . . . . 0.0 111.876 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.451 ' CB ' ' HB2' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -101.21 -166.86 1.35 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.811 0.339 . . . . 0.0 110.758 178.847 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.684 ' HZ ' HD13 ' A' ' 63' ' ' ILE . 2.1 t80 -76.53 102.85 6.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.522 175.425 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.54 ' HA3' ' HB2' ' A' ' 101' ' ' ASP . . . -87.45 99.18 2.46 Favored Glycine 0 N--CA 1.443 -0.876 0 C-N-CA 120.732 -0.747 . . . . 0.0 113.734 -171.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.728 ' HB3' ' HB3' ' A' ' 74' ' ' SER . 21.7 p-10 -77.88 -35.57 50.72 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 170.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -98.59 29.56 3.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.932 175.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.54 ' HB2' ' HA3' ' A' ' 98' ' ' GLY . 0.4 OUTLIER -89.93 2.99 54.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.285 179.892 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.22 119.82 14.99 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.501 -178.477 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.469 ' O ' ' HA ' ' A' ' 48' ' ' SER . 3.0 tpp180 -93.94 -145.65 0.24 Allowed 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.559 -177.48 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.69 HD21 ' H ' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -116.11 149.24 39.31 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -174.536 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.796 HD13 ' HA3' ' A' ' 82' ' ' GLY . 9.0 mt -135.72 118.29 22.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 171.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.585 ' HB ' ' HD1' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -91.23 87.4 6.49 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.173 0.511 . . . . 0.0 110.637 -177.452 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.588 ' HG2' HD11 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -95.27 81.55 3.64 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.532 179.136 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.1 mt -125.36 102.88 7.63 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.145 0.498 . . . . 0.0 110.812 -178.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -75.68 157.41 33.68 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.846 178.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -59.06 -37.94 78.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.401 0.62 . . . . 0.0 110.652 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.11 -6.55 59.53 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.556 -179.125 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.2 -0.57 53.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.19 0.519 . . . . 0.0 110.455 179.532 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -84.3 -23.36 30.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.197 -178.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -149.58 -49.36 0.14 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.525 -177.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.41 -58.2 9.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.897 0.38 . . . . 0.0 110.982 -177.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -100.31 153.96 18.88 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 175.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 66.84 -76.91 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.218 0.607 . . . . 0.0 111.351 -179.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 124.1 -46.49 1.09 Allowed Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.315 178.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 6.1 tp -162.58 152.27 3.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -131.43 171.19 13.68 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 -178.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -85.87 61.26 6.74 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.391 0.615 . . . . 0.0 110.309 178.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 . . . . . 0 C--O 1.245 0.863 0 CA-C-O 118.551 -0.738 . . . . 0.0 110.345 -177.891 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.709 0 N-CA-C 111.634 -0.587 . . . . 0.0 111.634 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -133.25 74.41 1.56 Allowed 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.006 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.2 tp 64.71 28.73 13.02 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.063 -174.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.99 114.36 28.4 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.292 -179.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -112.92 148.1 35.69 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.839 -178.309 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.661 ' HD2' ' HB ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -65.66 81.57 0.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.342 -178.167 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.576 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -122.2 146.7 47.0 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.202 177.827 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.528 ' HB2' HG12 ' A' ' 15' ' ' ILE . 46.2 t -87.55 143.64 27.1 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.431 178.753 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -104.86 3.49 31.06 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.65 175.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.763 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -94.39 -40.99 4.34 Favored Glycine 0 N--CA 1.445 -0.759 0 CA-C-N 115.636 -0.711 . . . . 0.0 113.009 -176.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.453 ' SG ' ' N ' ' A' ' 12' ' ' GLY . 23.8 p -117.2 -88.26 0.6 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 117.05 0.425 . . . . 0.0 111.677 -177.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.453 ' N ' ' SG ' ' A' ' 11' ' ' CYS . . . -110.76 -113.22 3.43 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.872 -0.68 . . . . 0.0 113.364 -174.508 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.477 ' HA2' ' NH2' ' A' ' 7' ' ' ARG . . . -116.78 -119.9 3.11 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.677 -0.773 . . . . 0.0 113.125 -175.184 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 7' ' ' ARG . 4.0 mttt -62.27 138.38 58.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.088 0.471 . . . . 0.0 111.406 -177.568 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.661 ' HB ' ' HD2' ' A' ' 6' ' ' LYS . 38.8 mt -86.69 104.48 14.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.356 -179.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.89 -6.65 59.34 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.772 177.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.35 150.65 47.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.962 177.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.46 -19.03 24.34 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.997 0.427 . . . . 0.0 110.076 177.736 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -114.36 115.55 27.52 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.702 176.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.631 ' HG ' ' HD3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -146.52 177.58 8.94 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.549 -177.117 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.596 HD12 ' HA ' ' A' ' 107' ' ' ARG . 4.7 tp -132.4 156.72 46.17 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 -178.147 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.668 ' HD2' ' CD1' ' A' ' 27' ' ' TYR . 1.8 m-85 -123.0 130.48 52.85 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 178.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.574 ' HA ' ' O ' ' A' ' 104' ' ' LEU . . . -153.25 137.93 16.95 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.614 -0.435 . . . . 0.0 112.063 -176.324 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 4.8 mpp? 57.72 38.6 27.54 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.421 175.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 65.48 13.14 8.68 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.668 178.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.3 162.3 21.75 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 171.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.668 ' CD1' ' HD2' ' A' ' 22' ' ' TYR . 6.9 m-85 -105.12 151.31 24.18 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 120.442 -0.503 . . . . 0.0 109.66 178.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 62.0 m95 -143.72 179.28 7.24 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.362 -170.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.6 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 12.6 m80 -100.69 163.8 12.17 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 166.086 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.13 -34.46 78.44 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.516 0.675 . . . . 0.0 109.725 175.327 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -86.33 -16.95 35.84 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.41 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.763 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 99.9 m -93.86 -30.8 14.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.442 -178.186 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.635 ' HG ' HD13 ' A' ' 42' ' ' LEU . 38.6 tp -82.16 87.63 6.51 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 174.12 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.764 ' HB2' ' HA ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -127.45 154.13 45.44 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.496 -174.273 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.704 ' HB3' ' H ' ' A' ' 39' ' ' GLN . 13.1 t -66.83 152.59 45.3 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 175.425 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.4 m -77.02 -15.03 59.75 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.142 0.496 . . . . 0.0 110.011 176.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -111.73 -37.29 5.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.322 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.543 ' CB ' ' HB2' ' A' ' 41' ' ' GLN . 34.5 m -103.65 -41.23 6.01 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 -173.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.764 ' HA ' ' HB2' ' A' ' 34' ' ' LYS . 5.9 mp0 75.0 -37.39 0.35 Allowed 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.28 0.632 . . . . 0.0 111.846 -175.26 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.24 -26.58 13.87 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 121.947 -0.47 . . . . 0.0 111.888 -176.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.806 ' HG3' HG12 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -63.81 -25.17 68.05 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -172.817 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.635 HD13 ' HG ' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -60.39 -30.97 69.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.854 0.359 . . . . 0.0 111.533 -177.02 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -128.6 36.78 2.38 Favored Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 120.467 -0.873 . . . . 0.0 111.982 178.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -122.15 -62.99 1.33 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.824 0.345 . . . . 0.0 111.185 -178.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.806 HG12 ' HG3' ' A' ' 41' ' ' GLN . 1.2 pt -81.87 41.08 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.611 -177.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 87.22 134.4 4.15 Favored Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 110.489 -1.044 . . . . 0.0 110.489 -174.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.846 HG23 HG23 ' A' ' 105' ' ' ILE . 0.1 OUTLIER -77.91 103.92 8.15 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.38 0.61 . . . . 0.0 110.548 -174.138 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -160.05 114.4 2.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.458 -178.523 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.3 p -107.84 170.53 7.93 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 110.232 -0.285 . . . . 0.0 110.232 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.588 ' HE1' ' H ' ' A' ' 101' ' ' ASP . 2.7 m-85 -138.77 118.77 13.36 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.732 0.301 . . . . 0.0 110.862 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.17 102.57 14.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.808 -176.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.811 ' HE2' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -157.47 142.51 16.87 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 173.829 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 m 65.9 4.69 3.08 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 67.34 15.31 65.58 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.831 -0.699 . . . . 0.0 111.671 -176.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.8 117.18 31.45 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 121.023 0.439 . . . . 0.0 110.034 -176.381 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.431 HG23 HD12 ' A' ' 56' ' ' ILE . 24.2 mt -69.07 113.47 4.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.887 -175.005 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.811 HD11 ' HE2' ' A' ' 52' ' ' LYS . 35.6 mt -118.92 162.17 18.96 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.021 177.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.583 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 9.3 p -85.71 173.97 9.71 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.389 172.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.77 -28.44 69.02 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.702 178.175 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -82.43 -38.41 24.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.287 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.601 ' HA ' ' HB2' ' A' ' 64' ' ' ARG . 10.7 m-20 -69.8 -27.75 65.16 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-O 120.918 0.389 . . . . 0.0 110.586 -178.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.671 ' HE1' ' HG2' ' A' ' 52' ' ' LYS . 56.2 t80 -60.21 -47.07 87.5 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.033 174.618 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.482 ' HA ' ' HA3' ' A' ' 67' ' ' GLY . 6.8 mt -71.6 -26.35 26.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.991 0.424 . . . . 0.0 110.685 177.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.601 ' HB2' ' HA ' ' A' ' 61' ' ' ASP . 0.4 OUTLIER -63.47 -47.83 80.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.23 178.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.5 mt -105.2 -42.5 5.26 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -174.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -95.11 -19.2 20.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.743 0.306 . . . . 0.0 111.392 -175.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.482 ' HA3' ' HA ' ' A' ' 63' ' ' ILE . . . -76.95 75.45 1.71 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.743 -176.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -127.62 2.85 6.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.699 0.285 . . . . 0.0 111.194 -177.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.58 -26.26 41.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.143 -177.728 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 90.52 118.32 1.98 Allowed Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.312 -179.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -128.42 166.18 19.23 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.725 0.297 . . . . 0.0 110.551 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -118.45 104.31 1.1 Allowed Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.93 -0.652 . . . . 0.0 111.974 178.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -68.72 -15.83 69.29 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 121.317 -0.468 . . . . 0.0 112.863 -177.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.02 58.0 3.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.171 0.51 . . . . 0.0 111.185 178.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -160.53 -85.63 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.687 0 N-CA-C 111.284 -0.726 . . . . 0.0 111.284 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -77.91 130.88 10.52 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.648 -0.786 . . . . 0.0 111.408 174.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.75 57.38 3.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.088 0.47 . . . . 0.0 110.802 -178.104 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.428 ' HB2' ' O ' ' A' ' 81' ' ' GLY . 0.0 OUTLIER -127.92 21.91 6.31 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.262 179.876 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.95 -89.15 1.39 Allowed Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.26 -178.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.407 ' HB2' ' HB2' ' A' ' 97' ' ' PHE . 0.0 OUTLIER -74.37 -23.04 58.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.132 0.491 . . . . 0.0 110.977 -179.315 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.428 ' O ' ' HB2' ' A' ' 78' ' ' MET . . . 150.75 -88.32 0.14 Allowed Glycine 0 N--CA 1.443 -0.855 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.801 -179.545 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.411 ' CA ' ' HA3' ' A' ' 98' ' ' GLY . . . 76.34 -70.95 2.09 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.553 178.578 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.9 t0 62.71 34.86 14.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.307 0.575 . . . . 0.0 110.603 -179.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.422 HG22 ' SD ' ' A' ' 78' ' ' MET . 21.7 m -75.32 154.09 6.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.17 177.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.1 ttp 66.52 24.65 10.24 Favored 'General case' 0 N--CA 1.464 0.23 0 O-C-N 123.459 0.474 . . . . 0.0 110.768 -177.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 9.2 p -73.45 144.38 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.705 179.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.3 m -90.48 159.91 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 -177.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 91.73 -63.51 2.56 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.96 -0.638 . . . . 0.0 111.663 -177.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -116.26 112.43 41.77 Favored Pre-proline 0 C--N 1.321 -0.655 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 175.454 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -72.77 134.42 21.89 Favored 'Trans proline' 0 N--CA 1.464 -0.256 0 C-N-CA 122.524 2.15 . . . . 0.0 113.102 -174.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 55.23 65.69 1.42 Allowed 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.56 -0.746 . . . . 0.0 112.142 177.184 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.6 mt -109.57 149.08 30.18 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.292 176.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 4.3 ttp -108.81 56.9 0.61 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.223 0.535 . . . . 0.0 110.131 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.53 -35.38 89.92 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.699 -0.763 . . . . 0.0 111.919 -178.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -91.4 122.8 6.89 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 120.816 -0.706 . . . . 0.0 111.664 176.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.72 156.6 37.73 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 110.518 -0.179 . . . . 0.0 110.518 -179.638 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.468 ' CE1' ' HA2' ' A' ' 67' ' ' GLY . 1.8 m-85 59.68 24.99 13.88 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.255 0.55 . . . . 0.0 110.692 -177.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.411 ' HA3' ' CA ' ' A' ' 82' ' ' GLY . . . -134.17 99.09 0.33 Allowed Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.326 179.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.802 ' HA ' ' HB2' ' A' ' 102' ' ' GLU . 17.0 t0 60.44 49.18 7.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.236 0.541 . . . . 0.0 110.99 -175.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -74.36 -23.13 58.97 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 173.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.588 ' H ' ' HE1' ' A' ' 50' ' ' TYR . 45.4 t0 -177.98 53.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.037 -1.438 . . . . 0.0 108.02 178.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.802 ' HB2' ' HA ' ' A' ' 99' ' ' ASP . 5.2 mt-10 -99.71 -159.47 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.242 -171.541 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.9 30.12 15.39 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.86 175.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.574 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 11.8 mt -87.04 -23.59 24.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.063 -178.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.846 HG23 HG23 ' A' ' 47' ' ' THR . 46.7 mt -93.06 119.9 41.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.386 0.612 . . . . 0.0 111.622 -176.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.432 ' O ' ' HD1' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -104.86 128.32 53.01 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 114.904 -1.043 . . . . 0.0 109.819 175.915 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.596 ' HA ' HD12 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -108.14 102.74 11.86 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 177.407 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.594 ' HA ' ' NE2' ' A' ' 112' ' ' GLN . 0.5 OUTLIER -145.73 103.95 3.83 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.559 -178.346 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.2 mp0 -69.8 168.07 15.87 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.895 178.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -46.3 103.92 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.364 0 O-C-N 123.163 0.289 . . . . 0.0 111.087 -178.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.583 ' HB ' ' HB1' ' A' ' 115' ' ' ALA . 27.0 m 75.77 -51.41 0.63 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.264 -174.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.594 ' NE2' ' HA ' ' A' ' 108' ' ' LEU . 35.3 tt0 66.24 -74.21 0.06 Allowed 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 123.891 0.876 . . . . 0.0 111.097 179.387 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.38 109.54 0.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.734 0.302 . . . . 0.0 111.132 179.114 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 61.21 38.05 16.96 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.569 179.056 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.583 ' HB1' ' HB ' ' A' ' 111' ' ' THR . . . -100.34 134.31 43.47 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.54 178.309 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -79.44 -34.35 41.69 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.352 -177.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -102.74 -41.26 6.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.264 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.429 ' O ' ' HA ' ' A' ' 112' ' ' GLN . . . -83.02 56.89 5.08 Favored Glycine 0 C--O 1.227 -0.285 0 C-N-CA 120.751 -0.737 . . . . 0.0 111.957 175.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.503 HG22 ' H ' ' A' ' 120' ' ' ASP . 2.1 tt -81.59 -52.92 13.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.419 0.152 . . . . 0.0 111.007 -177.293 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.503 ' H ' HG22 ' A' ' 119' ' ' ILE . 2.3 t0 -168.83 177.39 5.06 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -178.415 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -133.66 -43.02 0.83 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.041 0.448 . . . . 0.0 110.538 176.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 . . . . . 0 C--O 1.245 0.847 0 CA-C-O 118.198 -0.906 . . . . 0.0 109.924 179.053 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.682 0 N-CA-C 111.788 -0.525 . . . . 0.0 111.788 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.52 147.91 45.53 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.791 0.329 . . . . 0.0 110.474 179.475 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.18 -57.66 0.96 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.771 -179.069 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.36 171.16 10.13 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.582 179.647 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -73.25 161.91 29.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.48 179.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.446 ' HE3' ' CZ ' ' A' ' 27' ' ' TYR . 1.6 mppt? -61.24 -53.82 51.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.495 -178.379 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.897 ' HG3' ' HG3' ' A' ' 14' ' ' LYS . 7.4 ttp180 63.46 166.61 0.14 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.2 -1.363 . . . . 0.0 111.696 177.213 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.557 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 40.9 t -79.57 132.18 36.22 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.142 177.46 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -95.89 7.71 45.61 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.073 176.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 1.043 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -97.56 -38.37 4.23 Favored Glycine 0 N--CA 1.446 -0.642 0 CA-C-N 115.8 -0.637 . . . . 0.0 112.462 179.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 12' ' ' GLY . 22.2 p -122.11 -94.23 0.5 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.277 0.561 . . . . 0.0 110.68 177.444 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.44 ' N ' ' SG ' ' A' ' 11' ' ' CYS . . . 172.15 64.83 0.04 OUTLIER Glycine 0 N--CA 1.442 -0.944 0 N-CA-C 110.462 -1.055 . . . . 0.0 110.462 -179.246 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -156.09 120.14 0.97 Allowed Glycine 0 N--CA 1.437 -1.259 0 N-CA-C 111.354 -0.698 . . . . 0.0 111.354 -175.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.897 ' HG3' ' HG3' ' A' ' 7' ' ' ARG . 1.2 mtpt -63.82 95.51 0.11 Allowed 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.538 -0.331 . . . . 0.0 110.188 -178.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -66.18 105.39 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.754 -176.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.49 -8.25 45.1 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.337 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.09 154.48 34.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.715 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.43 ' HB2' ' HB2' ' A' ' 110' ' ' ASN . 0.0 OUTLIER -84.66 5.38 28.33 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.535 179.508 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -122.79 88.88 3.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.786 179.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.59 163.33 27.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.998 0.427 . . . . 0.0 110.937 -178.433 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.413 ' HB3' ' HB2' ' A' ' 28' ' ' TRP . 0.4 OUTLIER -102.35 146.49 27.97 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.043 175.279 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.448 ' HB2' ' HB ' ' A' ' 106' ' ' THR . 1.8 m-85 -116.38 122.23 44.23 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 -177.09 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.526 ' HB1' ' CD1' ' A' ' 28' ' ' TRP . . . -152.35 127.4 9.72 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.301 176.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 6.5 mtm 62.52 36.93 13.63 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.017 -178.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 62.93 10.8 4.6 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.679 -178.256 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -116.23 171.65 7.69 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 174.742 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.557 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 20.8 m-30 -107.9 156.6 19.0 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.96 0.41 . . . . 0.0 110.799 -177.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.526 ' CD1' ' HB1' ' A' ' 23' ' ' ALA . 59.9 m95 -141.36 163.17 33.66 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.117 -176.332 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.653 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 22.4 m80 -97.19 163.89 12.72 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 168.434 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.16 -42.62 96.66 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.896 0.379 . . . . 0.0 110.843 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.9 tpt85 -82.72 -14.29 54.84 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.029 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 1.043 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 69.0 m -85.46 -37.19 20.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.859 179.747 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.611 ' HG ' HD11 ' A' ' 42' ' ' LEU . 29.6 tp -82.14 68.93 8.75 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 171.526 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.428 ' HD3' ' O ' ' A' ' 32' ' ' CYS . 0.0 OUTLIER -119.75 165.57 14.36 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.668 -1.151 . . . . 0.0 110.802 -173.67 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.59 ' HA ' HD21 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -42.32 120.41 1.63 Allowed 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 113.314 -1.767 . . . . 0.0 110.748 174.78 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.34 -46.52 86.07 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -172.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.9 m -116.63 -20.01 9.75 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.969 0.414 . . . . 0.0 111.401 -174.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.24 -16.86 20.17 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.052 -172.324 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 65.5 mm-40 53.33 26.35 5.23 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 176.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.408 ' N ' ' HB2' ' A' ' 35' ' ' CYS . . . -83.26 -161.96 0.56 Allowed 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 169.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.818 ' HB3' ' HB2' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -101.74 118.48 37.02 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 177.238 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.611 HD11 ' HG ' ' A' ' 33' ' ' LEU . 10.7 mt -58.61 -60.74 3.33 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.02 0.438 . . . . 0.0 111.433 -176.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.73 40.69 3.04 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.893 -0.67 . . . . 0.0 113.165 -176.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.818 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . 28.2 t0 -108.63 -25.28 10.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.001 0.429 . . . . 0.0 110.985 178.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -113.32 16.53 8.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.384 0.611 . . . . 0.0 109.977 178.171 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 126.96 124.74 2.75 Favored Glycine 0 N--CA 1.446 -0.688 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.765 -175.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.59 102.54 8.94 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 122.398 -0.472 . . . . 0.0 111.524 -173.533 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.4 111.85 1.45 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.388 175.21 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.47 ' O ' ' HA ' ' A' ' 102' ' ' GLU . 1.2 p -104.37 139.87 38.72 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 178.529 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.689 ' HE2' ' HD3' ' A' ' 59' ' ' ARG . 2.2 m-85 -101.76 122.85 44.72 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.962 -177.722 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -97.3 104.49 16.51 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.92 179.08 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.406 ' O ' ' HG2' ' A' ' 55' ' ' MET . 0.1 OUTLIER -153.77 142.37 20.84 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.168 -179.855 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 66.1 m 65.47 21.64 11.84 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 123.547 0.529 . . . . 0.0 111.487 -179.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.01 8.77 79.07 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.852 -176.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.406 ' HG2' ' O ' ' A' ' 52' ' ' LYS . 2.8 ptp -120.81 168.1 11.8 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -179.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.551 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 5.4 mt -124.19 121.87 62.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.554 -178.437 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.557 HD23 ' HG ' ' A' ' 65' ' ' LEU . 0.9 OUTLIER -113.24 -176.55 2.92 Favored 'General case' 0 CA--C 1.506 -0.714 0 CA-C-O 122.345 1.069 . . . . 0.0 111.179 177.83 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 1.081 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 0.1 OUTLIER -92.41 147.77 22.65 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-N 112.503 -2.135 . . . . 0.0 110.736 -179.006 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.689 ' HD3' ' HE2' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -64.29 -21.94 66.78 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.629 0.728 . . . . 0.0 109.65 173.886 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -84.01 -38.4 20.96 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.293 -0.867 . . . . 0.0 112.104 -179.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 1.081 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 66.3 m-20 -107.55 -15.24 14.65 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.335 -0.546 . . . . 0.0 112.011 -169.434 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -55.17 -31.21 61.18 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.025 0.441 . . . . 0.0 110.556 174.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.415 ' H ' HG12 ' A' ' 63' ' ' ILE . 0.9 OUTLIER -69.35 -15.85 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.561 -179.804 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.578 ' HG2' HD21 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -98.96 -2.83 36.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.236 0.541 . . . . 0.0 110.205 177.781 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.578 HD21 ' HG2' ' A' ' 64' ' ' ARG . 1.3 mm? -109.82 -50.89 2.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.733 178.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -129.62 34.21 4.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.292 -178.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -130.85 -160.38 9.94 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.342 -0.932 . . . . 0.0 112.576 -178.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -142.84 -177.61 5.4 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 -179.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.78 -40.11 14.33 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.667 0.27 . . . . 0.0 110.933 -179.225 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -80.23 58.08 4.63 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.234 -0.508 . . . . 0.0 112.341 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -113.83 120.37 40.51 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.654 0.264 . . . . 0.0 110.379 179.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -148.53 161.98 28.76 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 121.004 -0.617 . . . . 0.0 111.697 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -81.85 63.73 4.33 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.06 179.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.62 -29.68 66.13 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 111.992 0.368 . . . . 0.0 111.992 -175.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -107.98 147.92 16.56 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.245 -0.978 . . . . 0.0 112.574 -178.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.75 60.69 4.59 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 121.394 -0.432 . . . . 0.0 112.193 177.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 24.7 p-80 -135.16 30.75 3.27 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.076 0.465 . . . . 0.0 110.289 178.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -79.38 84.27 5.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.877 177.535 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.36 -54.32 6.92 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.106 -176.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.612 ' HB3' ' HG3' ' A' ' 103' ' ' ARG . 0.0 OUTLIER -80.54 117.39 21.21 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.902 0.382 . . . . 0.0 110.721 179.681 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 179.26 171.8 42.78 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.834 -179.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -68.66 -65.73 2.54 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.995 -0.622 . . . . 0.0 112.158 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -153.65 158.61 41.35 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 178.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 2.5 t -75.31 -32.4 25.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.915 176.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.6 ptp -107.33 59.36 0.62 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.329 176.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.455 HG12 ' SD ' ' A' ' 93' ' ' MET . 0.0 OUTLIER -70.59 106.03 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.478 -178.442 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.1 t 54.42 -113.15 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.744 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -144.24 39.55 1.24 Allowed Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.888 -0.673 . . . . 0.0 111.719 178.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.585 ' HB3' ' HB2' ' A' ' 92' ' ' LEU . 2.3 mp0 -123.4 101.87 37.04 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 120.789 0.328 . . . . 0.0 110.391 -178.704 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -57.62 114.09 1.79 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 123.341 2.694 . . . . 0.0 113.209 -176.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 58.46 25.27 12.78 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.234 177.141 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.585 ' HB2' ' HB3' ' A' ' 89' ' ' GLU . 0.1 OUTLIER -93.59 50.52 1.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.345 0.593 . . . . 0.0 110.301 178.11 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.455 ' SD ' HG12 ' A' ' 86' ' ' VAL . 4.5 ttp -129.73 172.47 11.6 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.26 178.197 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -69.46 102.98 1.02 Allowed Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.089 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -150.81 16.56 0.94 Allowed Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 111.574 -0.61 . . . . 0.0 111.574 -179.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.23 -30.18 68.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.956 0.407 . . . . 0.0 110.612 -179.626 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.613 ' HD2' ' HB2' ' A' ' 99' ' ' ASP . 0.2 OUTLIER -120.53 131.23 54.59 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.39 178.005 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -101.45 18.89 52.76 Favored Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 111.449 -0.66 . . . . 0.0 111.449 179.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.613 ' HB2' ' HD2' ' A' ' 97' ' ' PHE . 22.0 t0 -67.42 113.59 5.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.458 -0.371 . . . . 0.0 110.371 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -80.5 52.04 1.57 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.4 -175.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.87 11.8 9.69 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.614 176.558 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.49 ' HB2' ' H ' ' A' ' 103' ' ' ARG . 1.2 pt-20 -101.1 -157.25 0.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.882 -178.155 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.612 ' HG3' ' HB3' ' A' ' 80' ' ' SER . 0.0 OUTLIER 58.22 25.46 12.63 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.154 175.072 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.5 tp -88.05 36.41 0.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.831 0.348 . . . . 0.0 111.295 -179.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.461 HG12 HD22 ' A' ' 33' ' ' LEU . 43.9 mt -118.03 102.65 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.108 0.48 . . . . 0.0 110.324 175.461 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.448 ' HB ' ' HB2' ' A' ' 22' ' ' TYR . 18.7 m -105.68 109.45 21.42 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 176.136 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.03 99.35 9.23 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.743 -173.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.09 101.05 7.73 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-O 121.387 0.613 . . . . 0.0 110.376 176.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.416 ' C ' ' H ' ' A' ' 111' ' ' THR . 63.0 mt-10 -106.17 142.56 35.66 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 172.575 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.43 ' HB2' ' HB2' ' A' ' 18' ' ' ARG . 3.2 m120 -68.84 5.68 1.06 Allowed 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.389 0.515 . . . . 0.0 112.389 -173.658 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.416 ' H ' ' C ' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -81.97 -3.47 54.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.44 172.602 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 1.0 OUTLIER -79.63 -152.81 0.07 Allowed 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.633 178.745 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -78.98 65.3 4.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.233 0.54 . . . . 0.0 110.314 177.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -153.71 -172.12 4.12 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 -179.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -77.72 121.73 24.41 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 175.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.09 -26.48 68.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.672 -176.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -68.08 -33.34 74.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.008 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 158.06 166.98 18.32 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.295 178.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -81.98 -22.06 9.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.977 0.418 . . . . 0.0 110.083 178.561 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -78.9 69.43 5.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.198 177.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -126.99 109.68 12.17 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.145 -178.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.468 -0.777 . . . . 0.0 110.723 -177.273 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.762 0 N-CA-C 111.744 -0.543 . . . . 0.0 111.744 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.63 94.69 9.95 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 176.287 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 3' ' ' LEU . 1.7 tp -119.58 78.39 1.31 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.804 -175.435 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.1 9.24 38.54 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.553 0.692 . . . . 0.0 110.135 178.377 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.456 ' HZ3' ' HG3' ' A' ' 14' ' ' LYS . 4.7 p-90 -132.19 -174.89 3.56 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.591 178.396 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.696 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 11.4 mttt -96.42 112.81 24.42 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.325 0.583 . . . . 0.0 110.896 -178.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.538 ' H ' ' HD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -119.09 117.84 29.8 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.81 -178.001 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.528 ' HB2' HG12 ' A' ' 15' ' ' ILE . 50.6 t -79.79 131.34 35.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.197 0.522 . . . . 0.0 111.648 -178.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -102.17 1.73 36.42 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.997 174.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.24 -54.58 3.5 Favored Glycine 0 N--CA 1.447 -0.609 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.074 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.0 p -103.88 -21.28 13.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.344 0.592 . . . . 0.0 110.249 177.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.48 56.38 2.27 Favored Glycine 0 N--CA 1.444 -0.773 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.258 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -147.92 -151.4 5.43 Favored Glycine 0 N--CA 1.434 -1.451 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.641 178.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.456 ' HG3' ' HZ3' ' A' ' 5' ' ' TRP . 14.9 tttp -102.05 135.87 42.87 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 115.248 -0.476 . . . . 0.0 110.334 178.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.696 ' HB ' ' HB3' ' A' ' 6' ' ' LYS . 3.4 mt -87.79 89.0 2.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.218 0.532 . . . . 0.0 110.75 177.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.525 ' O ' ' HA2' ' A' ' 118' ' ' GLY . . . -100.97 20.35 15.65 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.844 177.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.448 ' O ' ' HB3' ' A' ' 116' ' ' ALA . 0.5 OUTLIER -96.38 153.86 17.58 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.842 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.544 ' C ' ' HG3' ' A' ' 109' ' ' GLU . 16.7 ttp180 -84.77 11.46 9.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.845 0.355 . . . . 0.0 110.817 179.32 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.868 ' HA ' ' HB3' ' A' ' 109' ' ' GLU . 18.3 m-85 -140.64 110.91 6.65 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 123.054 0.542 . . . . 0.0 109.822 178.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.568 ' HG ' ' HD3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -135.19 178.85 6.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.666 0.27 . . . . 0.0 111.399 -177.628 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.489 HD23 HG23 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -145.76 153.96 41.52 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.481 -179.362 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.664 ' HD1' ' CD1' ' A' ' 27' ' ' TYR . 1.9 m-85 -122.14 127.24 49.86 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 172.141 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -152.43 124.03 7.82 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.365 0.126 . . . . 0.0 111.117 -178.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.406 ' C ' ' H ' ' A' ' 26' ' ' SER . 3.7 mtm 65.74 33.9 7.9 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.766 0.666 . . . . 0.0 110.769 -179.357 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 73.07 -15.11 0.55 Allowed 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.898 -178.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.406 ' H ' ' C ' ' A' ' 24' ' ' MET . 0.8 OUTLIER -87.66 145.73 26.03 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.427 -0.582 . . . . 0.0 109.427 174.797 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.664 ' CD1' ' HD1' ' A' ' 22' ' ' TYR . 5.4 m-85 -99.59 157.7 16.27 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.401 ' O ' HD12 ' A' ' 15' ' ' ILE . 52.1 m95 -137.83 165.2 27.05 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.852 -172.453 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.582 ' HB2' ' HB2' ' A' ' 32' ' ' CYS . 0.9 OUTLIER -81.37 -143.33 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.496 0.665 . . . . 0.0 111.208 178.368 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.459 ' H ' ' HB3' ' A' ' 29' ' ' HIS . 0.9 OUTLIER -90.05 -59.17 2.26 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.26 177.468 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -101.92 9.84 40.24 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.458 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.582 ' HB2' ' HB2' ' A' ' 29' ' ' HIS . 8.3 m -79.75 -21.24 44.7 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.997 -0.281 . . . . 0.0 111.143 -177.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -93.24 79.76 4.47 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 170.54 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.461 ' HZ1' ' HG2' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -131.61 168.01 18.44 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.92 -1.037 . . . . 0.0 110.435 -173.683 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.511 ' HB3' ' H ' ' A' ' 39' ' ' GLN . 44.7 t -59.73 160.78 6.98 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.769 179.152 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 54.3 m -84.48 -20.71 31.24 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.536 177.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.48 -47.08 3.02 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.629 -178.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 59.1 m -73.89 -37.71 64.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.875 0.369 . . . . 0.0 110.57 178.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.511 ' H ' ' HB3' ' A' ' 35' ' ' CYS . 1.1 mt-30 62.5 28.72 16.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.642 -176.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.59 146.93 26.53 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-N 115.221 -0.899 . . . . 0.0 108.708 172.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -59.89 127.54 32.41 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.195 -176.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.77 HD12 ' HA ' ' A' ' 58' ' ' CYS . 0.0 OUTLIER -74.33 -0.14 16.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.346 -178.406 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.543 ' HA2' HG23 ' A' ' 47' ' ' THR . . . -106.18 3.67 37.99 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 121.204 -0.522 . . . . 0.0 112.356 179.264 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -98.1 -47.01 5.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.03 0.443 . . . . 0.0 110.504 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.1 pt -85.36 57.63 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.438 0.637 . . . . 0.0 110.061 176.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 89.19 -159.82 29.03 Favored Glycine 0 N--CA 1.447 -0.603 0 N-CA-C 110.145 -1.182 . . . . 0.0 110.145 -171.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.543 HG23 ' HA2' ' A' ' 43' ' ' GLY . 0.1 OUTLIER -142.52 102.41 4.06 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 117.884 0.842 . . . . 0.0 111.437 175.759 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.447 ' HB3' ' O ' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -162.78 117.32 1.75 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.835 176.158 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.489 ' O ' ' HG3' ' A' ' 102' ' ' GLU . 0.1 OUTLIER -100.99 112.38 24.81 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 175.384 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.715 ' CD1' ' HB2' ' A' ' 102' ' ' GLU . 15.1 m-85 -80.7 161.61 24.53 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.003 -176.142 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.2 108.82 9.98 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.661 178.12 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.567 ' HG2' ' HE1' ' A' ' 62' ' ' TYR . 0.9 OUTLIER -152.69 123.37 7.33 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.9 m 66.24 17.05 10.64 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.211 0.319 . . . . 0.0 110.953 -177.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.85 13.55 82.32 Favored Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -173.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.16 158.04 17.78 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.178 -0.511 . . . . 0.0 110.369 -177.62 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.1 mt -115.8 125.25 72.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.037 176.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.405 ' HB3' ' HB3' ' A' ' 61' ' ' ASP . 1.0 OUTLIER -131.97 168.49 17.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.807 -175.467 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.77 ' HA ' HD12 ' A' ' 42' ' ' LEU . 30.7 p -79.91 -174.65 4.52 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 174.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.683 ' O ' HG12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -69.67 -51.16 37.11 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.616 -0.434 . . . . 0.0 109.945 176.656 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -55.36 -49.96 70.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.034 178.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.626 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 0.4 OUTLIER -62.56 -40.64 97.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.572 179.718 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.567 ' HE1' ' HG2' ' A' ' 52' ' ' LYS . 58.0 t80 -56.61 -49.53 74.69 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.764 0.316 . . . . 0.0 111.281 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.683 HG12 ' O ' ' A' ' 59' ' ' ARG . 1.9 mm -71.45 -36.95 62.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.012 -178.215 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.4 mtp85 -72.06 -45.37 61.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.39 -178.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.483 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 0.2 OUTLIER -69.3 -57.42 5.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.657 -175.929 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -117.37 -41.46 2.97 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.581 -0.447 . . . . 0.0 111.671 -173.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 81.07 -48.72 3.83 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.449 -177.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -50.77 106.22 0.12 Allowed 'General case' 0 C--N 1.333 -0.111 0 C-N-CA 122.727 0.411 . . . . 0.0 111.3 -179.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.463 ' HB3' ' HE2' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -111.24 179.88 3.91 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.286 -179.158 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -87.02 -15.74 62.28 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.806 -0.711 . . . . 0.0 111.423 177.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.826 ' HA ' ' HB3' ' A' ' 97' ' ' PHE . . . 59.66 45.69 12.72 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.05 0.452 . . . . 0.0 110.704 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.63 ' HA2' ' HG3' ' A' ' 93' ' ' MET . . . -126.39 -49.78 0.18 Allowed Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 120.537 -0.839 . . . . 0.0 112.736 -178.579 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.547 ' HA2' ' HA ' ' A' ' 101' ' ' ASP . . . 64.77 -138.64 40.12 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.577 -0.821 . . . . 0.0 111.105 -175.615 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.529 ' HB2' ' NH1' ' A' ' 103' ' ' ARG . 61.3 m -155.82 -24.56 0.11 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.86 0.362 . . . . 0.0 110.935 175.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.44 ' CA ' ' HG ' ' A' ' 92' ' ' LEU . . . 118.92 31.22 1.47 Allowed Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.92 -0.657 . . . . 0.0 111.706 -178.326 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -73.45 141.94 30.57 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 121.17 -0.538 . . . . 0.0 112.291 -179.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -103.97 1.08 30.75 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.818 0.342 . . . . 0.0 110.423 -179.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.26 53.6 0.49 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.855 178.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -79.15 -102.53 0.23 Allowed Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.658 -176.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.53 -43.64 38.39 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.891 0.377 . . . . 0.0 110.999 -179.08 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 173.34 83.59 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.091 179.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 132.15 -171.17 21.53 Favored Glycine 0 N--CA 1.447 -0.585 0 N-CA-C 111.486 -0.646 . . . . 0.0 111.486 -177.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.12 173.01 7.95 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.995 0.398 . . . . 0.0 110.948 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.705 HG23 ' HA3' ' A' ' 98' ' ' GLY . 1.5 p -71.61 113.17 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.779 -178.16 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 55.76 54.19 8.52 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.584 -177.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.6 p -68.39 -31.92 53.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.916 -178.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 39.6 t -93.07 83.2 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.191 176.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 141.94 -163.67 26.94 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.034 -177.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -78.54 139.28 58.95 Favored Pre-proline 0 C--N 1.323 -0.578 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 178.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -60.9 89.28 0.09 OUTLIER 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 123.168 2.578 . . . . 0.0 112.773 -177.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -139.69 132.67 29.42 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.718 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.44 ' HG ' ' CA ' ' A' ' 75' ' ' GLY . 3.8 mp -65.11 -51.07 63.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.008 0.433 . . . . 0.0 110.283 -177.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.63 ' HG3' ' HA2' ' A' ' 72' ' ' GLY . 0.7 OUTLIER -126.29 91.27 3.33 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.657 -0.702 . . . . 0.0 109.415 175.185 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -140.63 58.09 0.58 Allowed Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.838 -174.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 98.25 -53.97 1.16 Allowed Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.07 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -100.52 149.71 23.42 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 177.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.826 ' HB3' ' HA ' ' A' ' 71' ' ' ALA . 0.0 OUTLIER -71.17 116.93 12.05 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 176.064 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.705 ' HA3' HG23 ' A' ' 84' ' ' VAL . . . -52.75 -70.41 0.92 Allowed Glycine 0 N--CA 1.452 -0.236 0 CA-C-N 115.337 -0.847 . . . . 0.0 113.547 -170.747 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.42 ' CG ' ' H ' ' A' ' 100' ' ' GLU . 0.8 OUTLIER -99.65 -97.25 0.24 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 -179.628 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.503 ' HB3' ' OH ' ' A' ' 50' ' ' TYR . 3.0 mt-10 -100.29 -102.39 0.24 Allowed 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 173.236 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.547 ' HA ' ' HA2' ' A' ' 73' ' ' GLY . 0.5 OUTLIER -174.56 -51.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.042 0.448 . . . . 0.0 110.829 173.918 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.715 ' HB2' ' CD1' ' A' ' 50' ' ' TYR . 2.1 mm-40 -89.9 165.93 13.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.773 -176.361 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.529 ' NH1' ' HB2' ' A' ' 74' ' ' SER . 0.0 OUTLIER -163.04 23.42 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.346 178.275 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 8.4 mt -79.71 41.69 0.5 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.716 -176.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.489 HG23 HD23 ' A' ' 21' ' ' LEU . 1.8 mt -106.78 107.45 22.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.225 0.536 . . . . 0.0 110.707 177.304 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.538 ' HB ' ' HD2' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -100.65 100.38 11.08 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.493 -0.776 . . . . 0.0 108.971 174.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.491 ' NH2' ' HB3' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -125.29 107.15 10.42 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -172.51 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.87 98.25 3.09 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.221 168.239 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.868 ' HB3' ' HA ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -144.28 120.9 11.12 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.921 0.391 . . . . 0.0 110.508 176.082 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 2.1 t30 175.63 -59.31 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 107.173 -1.418 . . . . 0.0 107.173 175.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -146.68 38.95 1.03 Allowed 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 113.932 -1.485 . . . . 0.0 109.563 177.08 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.41 ' HG3' ' HA ' ' A' ' 115' ' ' ALA . 0.0 OUTLIER -68.17 169.62 10.0 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.221 -179.442 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -65.78 114.69 5.22 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 178.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.9 t0 62.29 54.69 2.53 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.884 -171.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.41 ' HA ' ' HG3' ' A' ' 112' ' ' GLN . . . -67.63 157.06 35.38 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.41 -0.813 . . . . 0.0 111.285 -177.113 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -86.35 139.35 31.05 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.573 174.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -121.56 134.85 55.03 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.198 -178.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.525 ' HA2' ' O ' ' A' ' 16' ' ' ALA . . . -65.62 -50.24 55.48 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 121.006 -0.616 . . . . 0.0 111.847 179.654 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -149.03 129.29 4.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.173 0.511 . . . . 0.0 110.996 177.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -90.33 77.15 6.66 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 174.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -78.06 74.36 4.61 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.555 -171.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 . . . . . 0 C--O 1.245 0.856 0 CA-C-O 118.809 -0.615 . . . . 0.0 109.684 176.164 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.703 0 N-CA-C 111.911 -0.476 . . . . 0.0 111.911 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -92.65 110.75 22.18 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.804 0.335 . . . . 0.0 110.724 -179.501 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 23.8 mt -77.34 -36.58 53.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.345 0.593 . . . . 0.0 109.721 178.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.99 -171.11 2.25 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.366 -0.834 . . . . 0.0 108.875 172.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -76.72 138.38 39.93 Favored 'General case' 0 N--CA 1.439 -0.983 0 C-N-CA 119.403 -0.919 . . . . 0.0 110.907 -179.396 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.473 ' HG3' ' HD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -80.29 170.33 16.54 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.653 -1.158 . . . . 0.0 110.037 -178.857 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.424 ' HE ' ' HB2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -152.92 162.14 41.68 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.315 178.743 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.518 ' HB2' HG12 ' A' ' 15' ' ' ILE . 54.1 t -82.36 128.6 34.39 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.365 177.486 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -92.78 0.09 57.35 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.242 177.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.755 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -81.44 -61.25 2.11 Favored Glycine 0 N--CA 1.446 -0.633 0 CA-C-N 115.802 -0.635 . . . . 0.0 112.832 -177.719 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.0 p -84.91 -81.93 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.925 0.393 . . . . 0.0 110.053 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.2 48.81 0.01 OUTLIER Glycine 0 N--CA 1.443 -0.89 0 C-N-CA 120.583 -0.818 . . . . 0.0 113.034 176.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -158.7 -147.16 4.76 Favored Glycine 0 N--CA 1.434 -1.46 0 C-N-CA 120.565 -0.826 . . . . 0.0 111.488 176.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.53 150.67 22.43 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 115.41 -0.395 . . . . 0.0 110.217 178.072 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.518 HG12 ' HB2' ' A' ' 8' ' ' CYS . 1.4 mt -85.85 89.69 2.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.451 0.643 . . . . 0.0 110.22 179.464 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -100.28 12.42 37.13 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.535 -177.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.26 159.48 15.09 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.37 -179.447 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.4 -8.36 55.13 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.753 -179.253 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.437 ' HE1' ' HB2' ' A' ' 110' ' ' ASN . 3.0 m-85 -115.7 115.8 26.98 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 176.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.485 HD13 HD12 ' A' ' 15' ' ' ILE . 0.2 OUTLIER -145.99 173.37 12.22 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.732 -176.317 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.475 HD21 HG21 ' A' ' 105' ' ' ILE . 0.3 OUTLIER -135.46 144.72 46.57 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.445 179.132 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.509 ' HD2' ' CE1' ' A' ' 27' ' ' TYR . 9.8 m-85 -114.73 121.05 42.15 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 175.524 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -152.28 133.1 14.08 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.726 -176.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.2 mtm 61.31 36.49 17.63 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.016 178.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 65.84 4.9 3.14 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.226 -178.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.73 152.33 26.7 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 176.402 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.509 ' CE1' ' HD2' ' A' ' 22' ' ' TYR . 6.7 m-30 -105.48 147.01 28.77 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -177.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.497 ' HA ' ' SG ' ' A' ' 8' ' ' CYS . 16.9 m95 -143.54 175.45 9.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.932 -171.103 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.72 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 29.9 m80 -97.8 171.22 8.44 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 168.266 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.15 -44.1 97.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.892 0.377 . . . . 0.0 110.678 177.482 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -90.71 10.4 26.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.277 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.755 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 94.9 m -108.16 -32.89 7.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.708 -0.224 . . . . 0.0 111.234 178.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.571 HD13 HD11 ' A' ' 105' ' ' ILE . 0.9 OUTLIER -79.98 83.54 5.87 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 174.408 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.478 ' HB3' ' HA ' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -148.85 178.66 8.48 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.98 -173.466 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 7.8 t -59.64 131.0 49.59 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.346 175.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.13 7.67 18.08 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.153 0.502 . . . . 0.0 110.172 176.047 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.83 -61.62 1.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.478 -176.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.5 p -106.76 -1.63 22.4 Favored 'General case' 0 C--O 1.231 0.129 0 C-N-CA 120.944 -0.303 . . . . 0.0 111.412 -177.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 69.72 21.23 6.6 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.131 178.745 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.19 117.9 6.16 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.138 0.494 . . . . 0.0 110.19 174.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.478 ' HA ' ' HB3' ' A' ' 34' ' ' LYS . 0.7 OUTLIER -64.46 102.46 0.55 Allowed 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 114.592 -1.186 . . . . 0.0 110.241 -176.716 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.491 ' HA ' HD23 ' A' ' 42' ' ' LEU . 8.0 mt -74.66 -2.36 25.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.368 -172.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.648 ' HA2' HG23 ' A' ' 47' ' ' THR . . . -112.75 6.67 25.95 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.814 -0.708 . . . . 0.0 111.633 177.256 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -109.32 -54.97 2.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.763 0.316 . . . . 0.0 111.078 -178.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -85.72 53.69 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.135 0.493 . . . . 0.0 110.481 179.137 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.86 113.99 2.43 Favored Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -175.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.648 HG23 ' HA2' ' A' ' 43' ' ' GLY . 0.1 OUTLIER -77.21 105.06 8.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.21 0.529 . . . . 0.0 110.835 -173.805 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.76 129.94 5.56 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.25 -0.887 . . . . 0.0 109.89 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.04 127.08 39.64 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 -179.436 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.459 ' HE2' ' HA ' ' A' ' 59' ' ' ARG . 4.6 m-30 -95.48 138.44 33.16 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 179.448 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.837 ' HB ' ' HD3' ' A' ' 103' ' ' ARG . 28.2 m -136.18 105.25 5.94 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.449 -0.796 . . . . 0.0 112.46 -167.013 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -155.34 126.96 7.39 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 172.235 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 34.0 m 67.1 20.38 10.33 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.259 -170.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 14.68 61.3 Favored Glycine 0 C--N 1.333 0.408 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 -173.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 13.3 ttm -101.92 149.18 24.48 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.526 -0.337 . . . . 0.0 110.433 -176.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.423 HG21 HD13 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -107.83 126.91 64.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.656 179.667 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.473 HD11 ' HE2' ' A' ' 66' ' ' PHE . 0.3 OUTLIER -140.22 172.56 12.57 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.789 -179.324 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.658 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 26.5 p -84.48 175.7 9.13 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 172.327 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.459 ' HA ' ' HE2' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -66.91 -30.23 70.33 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.665 0.269 . . . . 0.0 110.814 179.509 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -76.59 -46.9 24.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.757 179.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.658 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 0.8 OUTLIER -68.84 -27.4 65.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.758 179.826 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.461 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 8.3 t80 -55.3 -52.32 63.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.648 176.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.498 ' O ' ' HA3' ' A' ' 67' ' ' GLY . 0.4 OUTLIER -79.24 -11.05 12.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.181 -178.696 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.57 -39.81 19.9 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.046 0.45 . . . . 0.0 110.167 177.104 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.64 -41.4 16.38 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.654 -177.375 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.473 ' HE2' HD11 ' A' ' 57' ' ' LEU . 82.3 m-85 -119.31 7.51 11.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.806 -173.346 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.498 ' HA3' ' O ' ' A' ' 63' ' ' ILE . . . -70.9 93.04 0.48 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.388 -179.467 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -93.12 118.68 31.5 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 -178.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.448 ' HA ' ' HB2' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -80.84 22.81 0.58 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.787 -177.555 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.81 84.59 0.78 Allowed Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.913 177.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -148.27 149.9 32.71 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.84 0.352 . . . . 0.0 110.746 -177.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -119.21 5.66 13.32 Favored Glycine 0 N--CA 1.444 -0.787 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.667 178.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.52 30.52 48.86 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 121.106 -0.569 . . . . 0.0 112.219 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.38 27.4 5.59 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.856 0.36 . . . . 0.0 111.275 -177.411 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 152.39 -124.87 1.71 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.455 -0.879 . . . . 0.0 112.566 178.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 82.47 -80.92 1.75 Allowed Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 121.114 -0.565 . . . . 0.0 112.112 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.426 ' HB2' ' CA ' ' A' ' 98' ' ' GLY . 0.1 OUTLIER -174.12 153.31 2.03 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.469 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.503 ' HB3' ' HA2' ' A' ' 88' ' ' GLY . 0.0 OUTLIER -86.08 55.76 3.68 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 172.895 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 95.9 126.15 4.95 Favored Glycine 0 N--CA 1.444 -0.782 0 CA-C-N 114.968 -1.014 . . . . 0.0 111.471 -173.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.2 m -62.63 129.88 42.55 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 178.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 111.58 -30.61 7.72 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -172.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.33 -110.47 3.14 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.624 178.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.584 ' HA ' ' HA ' ' A' ' 87' ' ' VAL . 0.1 OUTLIER -78.98 -23.57 44.38 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.981 0.419 . . . . 0.0 110.054 179.107 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 16.4 t -67.51 107.38 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.444 178.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.1 tmt? 70.54 -51.39 0.66 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.787 0.835 . . . . 0.0 112.393 178.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.623 HG12 ' HB2' ' A' ' 89' ' ' GLU . 3.0 t -68.89 -45.65 80.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.981 -178.19 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.584 ' HA ' ' HA ' ' A' ' 83' ' ' ASP . 2.3 t 59.75 31.81 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.521 -178.291 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.503 ' HA2' ' HB3' ' A' ' 78' ' ' MET . . . 77.49 74.45 0.99 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.963 -0.637 . . . . 0.0 112.33 179.395 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.623 ' HB2' HG12 ' A' ' 86' ' ' VAL . 2.2 mm-40 -131.84 125.54 20.36 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 120.724 0.297 . . . . 0.0 110.984 -178.278 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -75.31 -20.85 15.88 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 122.823 2.349 . . . . 0.0 112.734 -177.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.62 -19.97 61.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.124 0.488 . . . . 0.0 110.669 179.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.19 148.61 24.3 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.828 174.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 4.4 ttm -64.32 131.41 47.21 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 177.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -169.35 -33.51 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.237 -176.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.41 -38.96 97.19 Favored Glycine 0 N--CA 1.451 -0.359 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 176.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.448 ' HB2' ' HA ' ' A' ' 69' ' ' SER . 1.1 pm0 -95.36 108.68 20.87 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 172.145 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 10.9 t80 75.61 78.23 0.1 Allowed 'General case' 0 C--O 1.235 0.34 0 O-C-N 123.909 0.756 . . . . 0.0 110.333 -174.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.426 ' CA ' ' HB2' ' A' ' 77' ' ' HIS . . . -89.12 57.52 3.97 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.505 -0.77 . . . . 0.0 113.067 -177.591 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -95.4 -175.07 3.37 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 176.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -100.23 -119.55 0.16 Allowed 'General case' 0 N--CA 1.443 -0.783 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 171.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.404 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 0.7 OUTLIER -177.59 -68.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.734 171.681 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -76.28 138.62 40.66 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.347 -176.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.837 ' HD3' ' HB ' ' A' ' 51' ' ' THR . 0.2 OUTLIER -118.66 -112.07 0.34 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.685 -179.477 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.596 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 2.6 pt? -116.91 106.47 13.47 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -173.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.571 HD11 HD13 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -110.42 131.05 62.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 O-C-N 121.921 -0.487 . . . . 0.0 109.83 171.717 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 8.7 m -125.45 111.23 14.86 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.671 -0.862 . . . . 0.0 108.671 176.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 107' ' ' ARG . 0.0 OUTLIER -120.09 138.15 53.72 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 121.912 -0.493 . . . . 0.0 111.06 -172.196 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -142.61 133.17 25.14 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 175.212 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.735 ' HG3' ' HG3' ' A' ' 112' ' ' GLN . 0.1 OUTLIER -116.19 162.71 17.06 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.846 -174.819 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.437 ' HB2' ' HE1' ' A' ' 19' ' ' PHE . 50.1 t30 0.21 76.22 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.186 0 O-C-N 125.398 1.686 . . . . 0.0 114.637 -179.661 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.576 HG21 ' HB3' ' A' ' 114' ' ' ASP . 0.2 OUTLIER 41.7 49.81 3.84 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.59 176.356 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.735 ' HG3' ' HG3' ' A' ' 109' ' ' GLU . 6.6 mm-40 -67.28 -15.11 63.5 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -174.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -100.27 7.95 44.07 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.909 0.385 . . . . 0.0 111.015 -179.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.576 ' HB3' HG21 ' A' ' 111' ' ' THR . 6.6 t70 -156.09 -145.89 0.16 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.763 -178.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -80.85 113.33 18.98 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 175.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.15 103.71 0.41 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.207 -178.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -128.68 -63.1 0.99 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.216 -179.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 159.61 -110.12 0.43 Allowed Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.562 179.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 3.0 tp -171.65 163.09 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 8.3 t0 64.39 35.94 9.32 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.276 0.56 . . . . 0.0 110.644 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -104.45 178.17 4.64 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.058 -177.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 16.9 mp0 . . . . . 0 C--O 1.252 1.191 0 CA-C-O 118.511 -0.757 . . . . 0.0 110.624 179.432 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.625 0 N-CA-C 111.718 -0.553 . . . . 0.0 111.718 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -58.1 5.93 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.625 0.212 . . . . 0.0 110.705 -178.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 64.57 -77.75 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.16 0.584 . . . . 0.0 110.98 179.577 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.33 113.18 12.42 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 173.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -104.3 3.9 33.06 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.254 -170.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.487 ' HE2' ' CE1' ' A' ' 27' ' ' TYR . 2.8 mttm 59.3 -154.06 0.37 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.302 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.449 ' NH2' ' HA2' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -159.24 145.6 16.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.919 -0.128 . . . . 0.0 110.787 -178.649 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 53.3 t -75.17 121.63 22.4 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 175.391 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.64 -4.22 58.89 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.364 178.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 1.009 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -78.64 -47.22 8.08 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.261 178.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.1 p -107.35 -101.19 0.36 Allowed 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.239 176.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.449 ' HA2' ' NH2' ' A' ' 7' ' ' ARG . . . -174.87 29.53 0.08 OUTLIER Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.784 178.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -143.47 -148.87 4.99 Favored Glycine 0 N--CA 1.436 -1.365 0 C-N-CA 120.304 -0.95 . . . . 0.0 111.808 178.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.2 mtpp -100.8 163.24 12.41 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 175.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.537 ' CD1' ' HB3' ' A' ' 27' ' ' TYR . 3.4 mt -96.63 111.98 27.8 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-O 121.041 0.448 . . . . 0.0 111.668 -174.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.39 -16.75 47.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.439 178.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.77 142.64 57.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.171 177.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.432 ' HD3' ' OD1' ' A' ' 117' ' ' ASN . 8.5 ttm180 -74.76 -38.24 62.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.967 177.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -97.55 92.04 5.73 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.499 178.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.59 -173.2 2.34 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.482 -176.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.703 HD23 HG12 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -146.58 144.56 29.65 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.012 -178.297 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.65 ' O ' ' HB ' ' A' ' 106' ' ' THR . 2.3 m-85 -107.64 118.29 36.33 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 175.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.538 ' HB2' HD23 ' A' ' 104' ' ' LEU . . . -152.08 134.22 15.07 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.277 -0.569 . . . . 0.0 111.19 176.552 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.494 ' HE2' HG23 ' A' ' 51' ' ' THR . 3.7 mtm 63.8 32.31 13.58 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.035 -179.253 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 65.72 16.57 10.55 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.869 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.37 -177.86 4.59 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.473 -0.785 . . . . 0.0 108.934 176.044 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.537 ' HB3' ' CD1' ' A' ' 15' ' ' ILE . 13.4 m-30 -107.98 161.31 15.06 Favored 'General case' 0 C--N 1.311 -1.071 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.665 -177.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.632 ' HB3' ' HB2' ' A' ' 33' ' ' LEU . 81.0 m95 -142.71 132.36 23.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.442 -179.713 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.663 ' HB2' ' HB2' ' A' ' 32' ' ' CYS . 2.6 m80 -74.32 177.47 5.85 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.22 178.623 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.0 m -66.69 -40.63 88.62 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.555 175.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.673 ' HA ' ' NE2' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -96.86 -14.24 21.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.398 179.876 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 1.009 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 58.3 m -79.34 -36.89 38.72 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 121.177 -0.209 . . . . 0.0 110.643 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.632 ' HB2' ' HB3' ' A' ' 28' ' ' TRP . 8.1 tp -81.59 83.66 6.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.558 0.694 . . . . 0.0 109.587 172.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.14 156.26 48.61 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.382 -179.406 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 15.9 t -60.09 136.42 58.01 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.942 177.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 m -83.27 -0.77 51.07 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 175.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.56 -54.76 2.51 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.733 -177.34 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 17.3 p -113.74 -1.2 14.02 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.418 -0.513 . . . . 0.0 111.776 -177.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 73.9 mm-40 67.06 21.04 10.29 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.369 0.667 . . . . 0.0 112.035 178.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.17 126.46 27.61 Favored 'General case' 0 N--CA 1.446 -0.675 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 175.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.673 ' NE2' ' HA ' ' A' ' 31' ' ' ARG . 3.1 tp60 -72.07 74.73 0.93 Allowed 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 114.909 -1.042 . . . . 0.0 110.863 -175.467 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.514 ' HB3' ' O ' ' A' ' 48' ' ' SER . 96.3 mt -51.83 -43.34 63.13 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.535 -1.211 . . . . 0.0 112.309 -176.209 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -94.15 44.18 2.34 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.987 -179.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -156.29 -52.31 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.798 0.299 . . . . 0.0 111.703 178.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 pt -90.05 50.72 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-O 121.364 0.602 . . . . 0.0 111.199 -178.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 115.82 -158.13 14.6 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 -177.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.419 ' C ' ' HG ' ' A' ' 48' ' ' SER . 0.7 OUTLIER -136.32 103.92 5.45 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 117.339 0.57 . . . . 0.0 111.196 177.336 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.598 ' HB3' ' HG2' ' A' ' 102' ' ' GLU . 0.8 OUTLIER -160.27 150.78 18.52 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.6 177.816 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.565 ' HG ' ' HB3' ' A' ' 104' ' ' LEU . 17.1 p -174.99 151.7 1.38 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.86 0.362 . . . . 0.0 110.424 176.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.581 ' CE2' ' HB3' ' A' ' 101' ' ' ASP . 2.1 m-85 -141.93 148.39 38.59 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.276 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.494 HG23 ' HE2' ' A' ' 24' ' ' MET . 10.4 m -137.86 111.01 7.83 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.079 0.466 . . . . 0.0 111.019 -179.475 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.474 ' O ' ' HG2' ' A' ' 55' ' ' MET . 5.2 mttt -155.11 151.56 28.45 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 177.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.427 ' HB2' ' O ' ' A' ' 52' ' ' LYS . 10.0 m 67.15 12.44 8.95 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.356 0.41 . . . . 0.0 111.534 -177.435 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 81.83 3.1 90.69 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.095 -177.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.474 ' HG2' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -114.94 165.36 12.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.395 0.617 . . . . 0.0 110.425 177.573 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.1 mp -112.12 135.91 49.96 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.624 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 62' ' ' TYR . 0.7 OUTLIER -128.65 168.98 15.0 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.249 -175.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.813 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 7.6 p -87.55 -174.22 4.7 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.141 172.384 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.67 ' HD2' ' HB2' ' A' ' 101' ' ' ASP . 0.1 OUTLIER -68.09 -43.57 78.2 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 173.858 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -66.83 -47.91 70.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.578 -179.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.813 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 1.4 m-20 -69.07 -28.89 66.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.405 -175.176 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.497 ' HA ' HD12 ' A' ' 57' ' ' LEU . 77.3 t80 -62.48 -53.2 58.39 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.939 178.544 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.499 HG12 ' O ' ' A' ' 59' ' ' ARG . 0.2 OUTLIER -67.28 -29.07 44.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.96 0.41 . . . . 0.0 110.444 -177.577 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.81 -45.46 64.58 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.745 177.266 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.14 -60.96 1.99 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.736 -177.061 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.493 ' HE2' HD13 ' A' ' 57' ' ' LEU . 22.6 m-85 -108.84 -41.04 4.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.613 -173.691 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.409 ' HA2' ' HA ' ' A' ' 63' ' ' ILE . . . 97.78 155.91 29.96 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.264 -0.969 . . . . 0.0 112.521 179.407 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -75.84 109.13 9.2 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 176.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.78 -12.46 61.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.864 -173.213 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.45 16.57 36.74 Favored Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 120.431 -0.89 . . . . 0.0 113.531 173.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.523 ' H ' ' HE1' ' A' ' 97' ' ' PHE . . . -81.15 71.45 8.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.065 0.46 . . . . 0.0 111.116 178.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 138.08 172.76 12.67 Favored Glycine 0 N--CA 1.445 -0.748 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.102 -179.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -109.48 9.75 32.91 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.99 -0.624 . . . . 0.0 111.619 178.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.06 128.36 36.03 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 122.377 0.271 . . . . 0.0 110.917 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.9 75.09 0.93 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.043 -178.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.412 ' HA2' ' HA2' ' A' ' 82' ' ' GLY . . . -74.69 61.86 2.42 Favored Glycine 0 CA--C 1.52 0.346 0 C-N-CA 121.371 -0.442 . . . . 0.0 113.422 -176.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -169.46 162.58 10.22 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 176.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.31 110.14 0.58 Allowed 'General case' 0 C--N 1.332 -0.172 0 O-C-N 123.355 0.409 . . . . 0.0 110.812 -178.451 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 144.97 -30.99 1.77 Allowed Glycine 0 N--CA 1.445 -0.746 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.564 -176.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 28.3 m -133.66 -145.18 0.24 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 110.45 -0.204 . . . . 0.0 110.45 178.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -85.33 53.7 4.79 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.909 -178.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.412 ' HA2' ' HA2' ' A' ' 76' ' ' GLY . . . -85.1 62.92 4.46 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.955 -0.64 . . . . 0.0 112.271 178.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.673 ' HB3' HG11 ' A' ' 86' ' ' VAL . 8.4 t0 -114.27 145.2 42.05 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.586 0.231 . . . . 0.0 110.484 -179.281 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 55.3 t -73.16 -67.19 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.256 178.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.4 tpp -92.38 81.72 4.91 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.081 177.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.673 HG11 ' HB3' ' A' ' 83' ' ' ASP . 0.1 OUTLIER -69.08 117.37 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.08 -177.542 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.7 t -90.48 -38.54 10.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.043 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -77.53 99.39 1.47 Allowed Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 111.319 -0.712 . . . . 0.0 111.319 175.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 60.81 79.06 0.29 Allowed Pre-proline 0 C--N 1.331 -0.221 0 CA-C-O 121.148 0.499 . . . . 0.0 111.078 -175.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_exo -66.32 -15.12 47.04 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.908 2.405 . . . . 0.0 111.741 178.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.0 100.07 0.71 Allowed 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.323 176.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.2 mp -61.1 -32.09 71.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.012 -175.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.03 63.62 8.13 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.193 0.52 . . . . 0.0 109.929 174.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 172.14 -152.91 18.21 Favored Glycine 0 N--CA 1.446 -0.637 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.022 -177.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 104.04 158.21 24.26 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 121.02 -0.61 . . . . 0.0 111.871 -179.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.68 -38.3 33.89 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.886 0.374 . . . . 0.0 110.756 -177.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.523 ' HE1' ' H ' ' A' ' 71' ' ' ALA . 41.1 m-85 -72.11 131.11 42.39 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 176.27 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -80.53 -100.68 0.31 Allowed Glycine 0 CA--C 1.512 -0.12 0 C-N-CA 120.853 -0.689 . . . . 0.0 113.858 -170.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -67.93 -78.87 0.06 Allowed 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -177.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -100.95 -40.71 7.13 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 168.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.67 ' HB2' ' HD2' ' A' ' 59' ' ' ARG . 1.5 m-20 -149.02 -52.84 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.195 -1.366 . . . . 0.0 108.778 174.744 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.598 ' HG2' ' HB3' ' A' ' 48' ' ' SER . 0.1 OUTLIER -44.11 128.77 6.01 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 113.901 -1.499 . . . . 0.0 112.779 -179.514 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.38 23.73 0.16 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.141 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.565 ' HB3' ' HG ' ' A' ' 49' ' ' SER . 0.4 OUTLIER -112.48 -36.6 5.2 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 -177.342 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.703 HG12 HD23 ' A' ' 21' ' ' LEU . 2.0 mt -70.52 119.61 16.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.353 0.597 . . . . 0.0 111.17 -178.408 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.65 ' HB ' ' O ' ' A' ' 22' ' ' TYR . 47.6 m -111.14 90.06 3.23 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 173.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.46 118.84 17.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.145 -172.439 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.704 HD22 ' HB3' ' A' ' 112' ' ' GLN . 0.1 OUTLIER -144.88 124.92 13.56 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.946 -179.82 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.86 163.1 16.58 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 177.21 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -52.57 -36.84 56.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.925 -174.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.45 29.92 7.26 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.584 -178.311 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.704 ' HB3' HD22 ' A' ' 108' ' ' LEU . 11.1 tt0 -80.13 62.95 4.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.338 0.589 . . . . 0.0 110.775 179.709 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -96.24 -59.65 1.79 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.601 177.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -137.95 -47.92 0.55 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.481 175.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -100.23 160.49 14.29 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.342 177.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -94.1 145.15 24.89 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 179.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.432 ' OD1' ' HD3' ' A' ' 18' ' ' ARG . 25.9 t-20 -97.44 -62.25 1.28 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.042 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 92.2 -70.41 1.74 Allowed Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 176.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -175.86 -37.1 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 CA-C-N 116.633 0.216 . . . . 0.0 111.53 179.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 27.21 -88.52 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 125.157 1.383 . . . . 0.0 114.309 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 72.56 44.34 0.41 Allowed 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 121.689 0.757 . . . . 0.0 109.798 -174.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 . . . . . 0 C--O 1.25 1.111 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.77 179.349 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.661 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 37.1 t -78.99 117.55 20.16 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.865 173.47 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.32 0.17 42.88 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.155 176.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.768 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -85.53 -47.68 5.04 Favored Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.566 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.9 p -116.61 -121.39 0.3 Allowed 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.84 -178.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -75.3 -63.54 2.48 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 121.308 -0.472 . . . . 0.0 113.371 -174.258 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 171.62 -76.43 0.1 OUTLIER Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.812 -178.577 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.86 127.17 31.49 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.89 0.376 . . . . 0.0 110.82 -178.105 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.493 HD11 ' HB2' ' A' ' 8' ' ' CYS . 4.3 mt -100.41 94.05 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.519 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.97 25.45 4.75 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.339 0.59 . . . . 0.0 109.971 177.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.19 169.19 9.08 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.833 -178.182 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -87.2 -29.58 21.64 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.895 176.239 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.549 ' CD1' ' HB3' ' A' ' 109' ' ' GLU . 7.6 m-30 -93.93 93.71 8.06 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.957 -177.015 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -119.38 153.18 35.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.977 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.792 HD21 HG23 ' A' ' 105' ' ' ILE . 0.4 OUTLIER -137.18 151.32 48.66 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.407 -0.815 . . . . 0.0 108.954 177.692 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.611 ' CD2' ' HE1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -109.06 127.38 54.07 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 176.07 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.568 ' HB3' ' CD1' ' A' ' 28' ' ' TRP . . . -153.62 140.4 19.06 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.866 174.029 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 27.1 mtp 64.64 25.52 13.11 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.556 0.535 . . . . 0.0 111.395 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 69.12 12.08 8.43 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 121.08 0.467 . . . . 0.0 110.85 -176.69 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.5 -176.81 3.09 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 174.136 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.661 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 18.2 m-30 -110.72 160.73 16.45 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 175.676 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.568 ' CD1' ' HB3' ' A' ' 23' ' ' ALA . 73.8 m95 -147.54 167.49 24.36 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.727 ' H ' ' HB2' ' A' ' 32' ' ' CYS . 18.1 m80 -100.13 166.26 11.1 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 169.427 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.17 -43.75 78.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.614 0.245 . . . . 0.0 111.56 -177.382 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.9 mtp180 -100.49 -1.64 35.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.475 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.768 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 7.8 m -80.65 -44.29 19.07 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 174.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.545 ' HA ' ' CE3' ' A' ' 28' ' ' TRP . 22.0 tp -60.5 -72.98 0.1 Allowed 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.557 177.217 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.31 166.66 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 122.631 1.205 . . . . 0.0 113.633 171.404 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.5 ' HB2' ' N ' ' A' ' 39' ' ' GLN . 1.7 m -75.22 -172.26 1.66 Allowed 'General case' 0 N--CA 1.437 -1.101 0 CA-C-N 113.269 -1.787 . . . . 0.0 111.745 -175.659 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.2 m -99.4 -55.0 2.8 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.83 170.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 m -101.82 -49.32 4.01 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -177.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.77 -35.81 79.36 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -175.568 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.5 ' N ' ' HB2' ' A' ' 35' ' ' CYS . 4.4 mm-40 61.45 45.98 7.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.538 -175.197 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.07 -161.31 0.86 Allowed 'General case' 0 N--CA 1.442 -0.838 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.526 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -101.09 99.97 10.48 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.237 178.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.501 HD23 HD11 ' A' ' 105' ' ' ILE . 0.9 OUTLIER -54.82 -35.97 64.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.686 -178.045 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -82.78 1.05 89.02 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.804 -0.712 . . . . 0.0 113.58 -178.554 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -107.26 -19.48 13.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 117.263 0.531 . . . . 0.0 111.423 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 pt -84.55 -0.8 6.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.174 0.512 . . . . 0.0 110.792 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 121.71 178.74 15.84 Favored Glycine 0 N--CA 1.443 -0.844 0 N-CA-C 110.184 -1.167 . . . . 0.0 110.184 -174.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.29 99.09 11.38 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 117.965 0.882 . . . . 0.0 110.278 179.153 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 m -163.27 148.03 11.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.078 176.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.516 ' O ' ' HA ' ' A' ' 102' ' ' GLU . 0.1 OUTLIER -157.79 130.78 7.51 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.355 178.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -115.04 127.45 55.65 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 120.962 0.41 . . . . 0.0 110.4 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.0 m -116.84 109.27 16.87 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.702 -178.444 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -151.46 144.34 24.47 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.0 m 65.5 19.81 11.59 Favored 'General case' 0 N--CA 1.464 0.231 0 O-C-N 123.416 0.448 . . . . 0.0 110.92 -175.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.45 14.11 77.33 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.623 -175.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 52.8 mtm -104.28 165.2 11.21 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.864 0.364 . . . . 0.0 110.676 -178.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.529 HG21 HD11 ' A' ' 33' ' ' LEU . 3.0 mp -119.55 117.05 52.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.69 175.753 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.647 ' HB3' ' HB3' ' A' ' 61' ' ' ASP . 1.5 mp -124.89 150.39 46.56 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.454 -174.427 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 24.1 p -79.93 -173.54 3.95 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.021 171.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.524 ' O ' HG12 ' A' ' 63' ' ' ILE . 0.8 OUTLIER -67.3 -44.95 77.95 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.719 0.295 . . . . 0.0 110.93 177.564 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -66.64 -44.0 83.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.859 178.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.647 ' HB3' ' HB3' ' A' ' 57' ' ' LEU . 1.1 m-20 -56.34 -43.63 79.26 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.359 0.599 . . . . 0.0 110.079 177.502 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -60.18 -48.26 82.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.296 -178.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.524 HG12 ' O ' ' A' ' 59' ' ' ARG . 44.6 mm -62.3 -28.91 45.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.022 0.439 . . . . 0.0 111.097 -179.322 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 81.8 mtt180 -79.38 -38.28 35.35 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.321 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' A' ' 65' ' ' LEU . 0.3 OUTLIER -84.82 -60.5 2.03 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -177.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -119.9 39.98 3.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.995 0.426 . . . . 0.0 110.64 -176.026 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.409 ' HA3' ' O ' ' A' ' 63' ' ' ILE . . . . . . . . 0 N--CA 1.449 -0.455 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.819 -177.146 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.516 ' HA ' ' O ' ' A' ' 49' ' ' SER . 0.6 OUTLIER . . . . . 0 CA--C 1.533 0.298 0 CA-C-O 120.45 0.167 . . . . 0.0 111.378 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.506 ' HD3' ' HA ' ' A' ' 103' ' ' ARG . 0.0 OUTLIER 59.26 46.2 13.14 Favored 'General case' 0 N--CA 1.462 0.13 0 C-N-CA 122.976 0.51 . . . . 0.0 111.565 178.442 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -111.53 -5.05 14.6 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.792 HG23 HD21 ' A' ' 21' ' ' LEU . 8.3 mt -92.66 124.79 45.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-O 121.435 0.636 . . . . 0.0 111.779 -177.184 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.523 ' HB ' ' CG ' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -121.57 115.1 22.17 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.687 -1.142 . . . . 0.0 108.0 171.586 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.1 120.92 19.64 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -169.415 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.534 HD13 ' HA ' ' A' ' 108' ' ' LEU . 0.1 OUTLIER -146.42 101.73 3.51 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 164.016 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.549 ' HB3' ' CD1' ' A' ' 19' ' ' PHE . 40.8 mt-10 . . . . . 0 C--N 1.322 -0.613 0 CA-C-O 121.558 0.694 . . . . 0.0 110.889 -172.322 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.511 ' NH2' ' HA2' ' A' ' 12' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.433 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 17.8 t -86.21 132.18 34.06 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.993 -174.36 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.07 1.27 57.21 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.243 177.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.525 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -85.5 -58.81 2.0 Allowed Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 121.024 -0.608 . . . . 0.0 112.357 -179.339 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.9 p -95.24 -42.34 8.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.942 0.401 . . . . 0.0 110.46 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.511 ' HA2' ' NH2' ' A' ' 7' ' ' ARG . . . 122.27 11.39 5.69 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.37 -0.919 . . . . 0.0 113.827 174.011 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.35 -155.09 17.74 Favored Glycine 0 N--CA 1.434 -1.466 0 C-N-CA 120.143 -1.027 . . . . 0.0 111.934 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 7' ' ' ARG . 0.6 OUTLIER -102.27 151.64 21.99 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 114.977 -0.611 . . . . 0.0 109.767 176.318 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.5 mt -99.52 100.0 9.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.062 0.458 . . . . 0.0 110.833 179.46 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -97.22 -7.05 33.24 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.603 0.716 . . . . 0.0 109.546 177.215 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.15 146.04 53.79 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.834 -1.075 . . . . 0.0 110.557 179.489 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -68.35 -31.0 70.09 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.116 0.484 . . . . 0.0 110.621 -179.206 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.5 ' HA ' ' HB3' ' A' ' 109' ' ' GLU . 11.3 m-30 -104.37 128.44 52.21 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.778 -179.511 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.425 HD13 ' C ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -156.07 175.59 13.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.777 0.322 . . . . 0.0 111.437 -178.616 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.758 HD21 HG23 ' A' ' 105' ' ' ILE . 0.3 OUTLIER -129.73 159.51 36.25 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.534 -178.679 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.46 ' HD2' ' CD1' ' A' ' 27' ' ' TYR . 4.3 m-85 -127.57 126.58 42.38 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 177.073 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -152.28 125.65 8.76 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.884 -0.327 . . . . 0.0 111.258 -178.324 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.436 ' HG2' HD21 ' A' ' 104' ' ' LEU . 0.1 OUTLIER 63.29 37.4 11.07 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.178 179.432 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.52 4.61 1.83 Allowed 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.195 -178.374 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -108.36 146.13 33.46 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 173.017 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.461 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 11.3 m-30 -93.37 156.13 16.97 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -178.161 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.466 ' CE3' HD23 ' A' ' 33' ' ' LEU . 67.9 m95 -141.57 162.61 35.06 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.21 -172.126 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.701 ' HB2' ' HB2' ' A' ' 32' ' ' CYS . 15.1 m80 -88.28 159.1 18.25 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 107.921 -1.141 . . . . 0.0 107.921 167.632 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.45 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 0.5 OUTLIER -60.66 -49.88 75.75 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.864 0.364 . . . . 0.0 110.492 179.424 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 ttp85 -76.72 -19.55 57.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.366 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.701 ' HB2' ' HB2' ' A' ' 29' ' ' HIS . 23.7 m -78.81 -27.81 44.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.742 179.368 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.466 HD23 ' CE3' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -82.32 72.03 9.38 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.657 0.742 . . . . 0.0 109.712 175.408 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.547 ' HG3' ' HA ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -119.33 167.91 11.44 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.213 -176.885 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.542 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 35.9 t -67.85 142.02 56.26 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.862 175.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.9 m -73.26 -10.67 60.01 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.098 0.475 . . . . 0.0 110.519 177.116 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.37 -46.77 3.05 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.188 -179.501 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.542 ' HB2' ' HB3' ' A' ' 35' ' ' CYS . 75.7 m -80.61 -33.17 36.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.394 -178.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.547 ' HA ' ' HG3' ' A' ' 34' ' ' LYS . 70.8 mm-40 64.74 20.44 12.13 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.183 -174.126 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -99.79 134.22 43.01 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.276 177.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.679 ' HB3' ' HB2' ' A' ' 44' ' ' ASP . 52.0 tt0 -53.23 123.7 12.54 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.784 -177.817 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.714 ' HB3' HD11 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -71.53 -29.63 64.99 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.35 -179.236 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.52 -0.65 87.69 Favored Glycine 0 CA--C 1.519 0.323 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.382 176.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.679 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . 22.8 t70 -87.06 -16.08 36.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.276 0.56 . . . . 0.0 110.246 179.279 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 11.8 pt -105.81 11.24 8.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.399 0.618 . . . . 0.0 110.413 178.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.35 -147.27 17.87 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 110.801 -0.92 . . . . 0.0 110.801 -176.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.17 100.79 10.37 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 117.149 0.475 . . . . 0.0 110.1 175.073 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.598 ' H ' HD12 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -162.71 140.74 8.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.524 178.936 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 31.3 p -175.34 147.51 0.88 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.877 0.37 . . . . 0.0 111.134 176.589 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.422 ' HE2' ' HD3' ' A' ' 59' ' ' ARG . 10.8 m-85 -116.31 141.84 47.63 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.428 173.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.467 HG23 HG13 ' A' ' 56' ' ' ILE . 6.9 m -137.2 102.22 4.76 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.133 0.492 . . . . 0.0 110.722 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.1 mmtm -141.74 136.21 30.54 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.368 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.7 m 70.92 13.3 7.05 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 123.345 0.403 . . . . 0.0 110.701 -174.081 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 78.7 -0.52 76.72 Favored Glycine 0 N--CA 1.45 -0.393 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -171.215 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.32 121.47 30.76 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.214 -0.493 . . . . 0.0 109.941 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.467 HG13 HG23 ' A' ' 51' ' ' THR . 3.2 mp -97.4 113.53 32.1 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.793 178.282 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.27 175.25 7.18 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.689 -177.213 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.748 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 12.3 p -81.91 177.05 9.07 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.569 174.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.422 ' HD3' ' HE2' ' A' ' 50' ' ' TYR . 0.4 OUTLIER -67.29 -37.93 84.22 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.307 0.575 . . . . 0.0 110.007 177.635 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.93 -44.71 65.57 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.209 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.748 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 3.4 m-20 -69.04 -29.15 67.24 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.744 0.275 . . . . 0.0 111.744 -175.296 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.454 ' HD2' HD13 ' A' ' 63' ' ' ILE . 66.6 t80 -61.83 -40.9 96.9 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.456 179.136 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.454 HD13 ' HD2' ' A' ' 62' ' ' TYR . 3.9 mm -73.39 -17.1 17.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.223 0.535 . . . . 0.0 110.79 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -88.91 -35.87 16.25 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.663 178.264 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' ' 65' ' ' LEU . 5.4 tp -91.42 -41.35 10.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.932 -176.123 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -108.56 -42.94 4.41 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.775 0.322 . . . . 0.0 110.445 -178.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.393 0 C-N-CA 121.107 -0.568 . . . . 0.0 112.514 179.676 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.304 0 CA-C-O 120.807 0.337 . . . . 0.0 111.486 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 103' ' ' ARG . 0.0 OUTLIER 60.28 44.49 12.46 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.385 179.045 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.436 HD21 ' HG2' ' A' ' 24' ' ' MET . 0.1 OUTLIER -88.34 -16.27 33.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.793 -178.284 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.758 HG23 HD21 ' A' ' 21' ' ' LEU . 11.3 mt -72.04 122.01 23.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.109 0.48 . . . . 0.0 111.074 -179.377 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 97.9 m -118.69 103.74 9.96 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 172.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.42 ' O ' ' HD3' ' A' ' 107' ' ' ARG . 0.0 OUTLIER -119.71 120.92 38.01 Favored 'General case' 0 C--N 1.319 -0.759 0 O-C-N 121.527 -0.733 . . . . 0.0 111.308 -174.042 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.502 HD13 ' HA ' ' A' ' 108' ' ' LEU . 0.1 OUTLIER -145.77 101.28 3.53 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.148 174.337 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.5 ' HB3' ' HA ' ' A' ' 19' ' ' PHE . 2.0 mp0 . . . . . 0 C--N 1.319 -0.721 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.148 -178.029 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.604 ' HG2' ' N ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.541 0.603 0 CA-C-O 120.563 0.22 . . . . 0.0 111.035 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.744 ' HB2' HG12 ' A' ' 15' ' ' ILE . 43.9 t -67.23 121.19 15.12 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 120.929 0.395 . . . . 0.0 111.625 -175.485 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.09 -5.96 59.33 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.286 174.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.904 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -74.24 -45.83 23.48 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.254 179.013 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.3 p -112.35 -88.26 0.54 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 176.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 165.13 69.92 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.679 0 N-CA-C 111.482 -0.647 . . . . 0.0 111.482 178.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 178.58 143.43 5.22 Favored Glycine 0 N--CA 1.432 -1.571 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 -177.148 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -59.45 122.04 13.0 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.744 HG12 ' HB2' ' A' ' 8' ' ' CYS . 3.1 mt -67.05 116.75 6.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.906 -177.166 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.55 20.1 8.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.258 0.552 . . . . 0.0 110.453 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -100.2 148.68 24.36 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.559 177.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.77 2.79 56.26 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.383 0.611 . . . . 0.0 110.071 178.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -123.79 87.56 2.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.312 175.191 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.529 ' H ' HD12 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -105.77 157.95 17.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.284 0.564 . . . . 0.0 111.483 -176.906 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.657 HD21 HG23 ' A' ' 105' ' ' ILE . 0.4 OUTLIER -97.43 152.94 18.45 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.804 -1.089 . . . . 0.0 108.121 171.308 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.563 ' HD2' ' CE1' ' A' ' 27' ' ' TYR . 1.1 m-85 -129.35 126.31 38.63 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.412 ' HB1' ' CD1' ' A' ' 104' ' ' LEU . . . -152.84 118.6 5.37 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.936 -178.259 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 2.4 mtp 60.05 52.64 5.02 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.199 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 74.38 -40.64 0.45 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.829 0.851 . . . . 0.0 112.677 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.76 156.95 27.24 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.029 0.442 . . . . 0.0 110.372 -178.787 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.675 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 9.5 m-30 -100.69 157.47 16.66 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.512 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.525 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 30.1 m95 -137.0 162.41 33.39 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 -174.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.593 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 16.5 m80 -81.53 155.02 25.96 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 168.008 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -27.79 69.21 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.98 0.419 . . . . 0.0 110.484 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.62 1.86 41.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.334 178.316 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.904 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 1.8 m -94.31 -30.18 14.66 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 122.231 -0.293 . . . . 0.0 110.882 -179.308 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.514 HD22 HD22 ' A' ' 21' ' ' LEU . 16.2 tp -82.92 82.3 8.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.25 0.548 . . . . 0.0 109.971 175.003 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.84 ' HG3' ' HA ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -134.26 168.65 18.49 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.088 -175.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.684 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 38.3 t -65.13 145.89 55.7 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.286 177.277 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.95 -17.16 61.05 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.028 0.442 . . . . 0.0 110.466 177.614 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -111.06 -42.73 3.89 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.317 -179.321 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.684 ' HB2' ' HB3' ' A' ' 35' ' ' CYS . 86.4 m -76.65 -51.44 11.54 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.08 178.662 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.84 ' HA ' ' HG3' ' A' ' 34' ' ' LYS . 1.6 mp0 64.56 29.91 12.99 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.594 -176.315 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.17 -155.24 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.652 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.454 ' HB3' ' HB2' ' A' ' 44' ' ' ASP . 16.1 tp60 -96.16 99.85 11.55 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.405 179.459 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -73.29 -3.83 29.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.311 -178.268 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.91 21.74 7.82 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.272 179.175 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.454 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . 16.1 t70 -105.57 -50.69 3.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.116 0.484 . . . . 0.0 110.959 -179.707 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -94.9 52.78 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.54 -179.025 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 94.5 118.46 3.04 Favored Glycine 0 N--CA 1.446 -0.67 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 -174.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.429 HG22 HD12 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -78.98 100.93 7.51 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 122.414 -0.462 . . . . 0.0 110.816 -174.37 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.9 m -162.02 111.42 1.5 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.314 177.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.488 ' O ' ' HA ' ' A' ' 102' ' ' GLU . 3.1 p -113.1 159.95 18.69 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 176.254 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.636 ' HE2' ' HD3' ' A' ' 59' ' ' ARG . 6.0 m-85 -116.02 118.89 34.15 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.619 0.247 . . . . 0.0 110.764 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.52 ' OG1' HD22 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -90.86 101.71 14.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.734 178.558 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.488 ' HG2' ' O ' ' A' ' 51' ' ' THR . 9.2 mmtm -150.72 141.75 23.02 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 178.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.8 m 61.97 26.92 16.3 Favored 'General case' 0 C--N 1.332 -0.188 0 O-C-N 123.506 0.504 . . . . 0.0 111.533 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.24 18.56 65.25 Favored Glycine 0 CA--C 1.518 0.221 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.073 -178.011 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.444 ' HG2' ' O ' ' A' ' 52' ' ' LYS . 1.6 ptt? -129.89 170.5 13.83 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -179.284 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.413 ' O ' ' HA ' ' A' ' 35' ' ' CYS . 16.3 mm -120.82 122.44 67.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.396 -178.325 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 mp -122.1 165.2 16.45 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.611 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.652 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 30.5 p -83.29 175.45 9.89 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 172.334 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.636 ' HD3' ' HE2' ' A' ' 50' ' ' TYR . 6.7 tpp180 -63.8 -43.66 95.64 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.547 177.34 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -62.72 -47.51 83.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.03 0.443 . . . . 0.0 111.253 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.652 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 0.8 OUTLIER -70.47 -32.63 70.24 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.716 -178.681 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -63.92 -45.15 90.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.505 175.03 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.553 HG12 ' O ' ' A' ' 59' ' ' ARG . 3.5 mm -61.03 -38.42 79.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.166 0.508 . . . . 0.0 110.806 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.502 ' NH1' ' HA ' ' A' ' 61' ' ' ASP . 1.7 mtp-105 -80.5 -0.48 37.67 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.52 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.54 -70.28 0.81 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.81 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -115.93 -21.69 9.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.782 0.325 . . . . 0.0 111.479 -177.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.242 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.925 -176.708 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.607 ' HB3' ' CE1' ' A' ' 50' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--O 1.235 0.332 0 CA-C-O 120.46 0.171 . . . . 0.0 110.693 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 56.85 45.5 21.43 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.744 175.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.52 HD22 ' OG1' ' A' ' 51' ' ' THR . 0.4 OUTLIER -98.61 11.41 38.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.561 178.586 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.657 HG23 HD21 ' A' ' 21' ' ' LEU . 1.6 mt -74.79 102.55 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.825 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.431 ' HB ' ' HB2' ' A' ' 22' ' ' TYR . 60.6 m -105.24 115.07 29.64 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 173.446 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.29 112.14 10.17 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-O 121.159 0.504 . . . . 0.0 110.738 -172.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.439 ' H ' ' HE1' ' A' ' 22' ' ' TYR . 1.1 mp -128.21 161.94 28.14 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.13 176.473 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.314 -0.953 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.136 -177.102 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.667 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 0.0 OUTLIER . . . . . 0 CA--C 1.539 0.535 0 CA-C-O 122.062 0.934 . . . . 0.0 111.855 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.621 ' HB2' HG12 ' A' ' 15' ' ' ILE . 12.5 t -74.01 156.04 37.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.604 -1.18 . . . . 0.0 111.061 -176.767 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -114.59 12.5 17.27 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.631 174.166 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.649 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -113.28 -39.12 1.16 Allowed Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.435 -0.888 . . . . 0.0 113.317 -176.037 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.418 ' SG ' ' N ' ' A' ' 12' ' ' GLY . 26.5 p -122.39 -120.32 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.024 0.44 . . . . 0.0 111.651 -175.802 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.418 ' N ' ' SG ' ' A' ' 11' ' ' CYS . . . -84.3 -39.99 8.78 Favored Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.908 179.003 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 135.71 -10.64 4.28 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.271 -0.966 . . . . 0.0 113.645 176.22 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.66 81.41 8.64 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 117.048 0.424 . . . . 0.0 110.716 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.621 HG12 ' HB2' ' A' ' 8' ' ' CYS . 2.6 mt -68.32 153.85 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.667 178.171 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.99 74.49 10.52 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 165.433 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.532 ' HA ' ' HB3' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -61.88 -6.93 3.1 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 114.669 -1.15 . . . . 0.0 112.245 -166.809 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -12.22 49.33 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 172.363 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.621 ' HA ' ' HB2' ' A' ' 109' ' ' GLU . 12.4 m-85 -160.04 67.86 0.37 Allowed 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.894 -177.026 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.899 HD23 ' HG3' ' A' ' 109' ' ' GLU . 0.1 OUTLIER -107.15 168.99 8.83 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-O 121.421 0.629 . . . . 0.0 112.131 -175.391 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.796 HD11 HG23 ' A' ' 105' ' ' ILE . 1.0 OUTLIER -118.31 148.9 42.0 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.402 -179.551 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.592 ' HD2' HG22 ' A' ' 106' ' ' THR . 3.1 m-85 -118.55 99.55 6.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.054 177.191 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -135.69 142.32 45.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.709 0.29 . . . . 0.0 111.386 -177.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.7 mtt 62.18 30.68 17.74 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.12 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 64.2 16.08 9.8 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.357 -176.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -127.18 164.09 22.42 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 176.699 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.516 ' CE1' ' HD1' ' A' ' 22' ' ' TYR . 18.9 m-30 -101.68 153.04 20.13 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -179.225 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.614 ' CD2' HD23 ' A' ' 33' ' ' LEU . 87.5 m95 -144.12 171.94 13.59 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.85 -167.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.587 ' CE1' ' HA ' ' A' ' 15' ' ' ILE . 1.5 m80 -94.67 170.5 9.41 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.333 -1.303 . . . . 0.0 110.087 170.514 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -36.65 78.58 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.518 0.675 . . . . 0.0 110.11 172.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.405 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -86.36 -31.72 21.35 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.153 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.649 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 93.0 m -78.77 -31.05 45.96 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 111.505 0.187 . . . . 0.0 111.505 -174.55 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.768 ' HG ' HD22 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -80.75 75.5 7.66 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 170.648 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.41 ' H ' ' HG3' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -119.17 160.78 21.5 Favored 'General case' 0 CA--C 1.501 -0.922 0 CA-C-N 114.869 -1.06 . . . . 0.0 111.658 -171.482 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.564 ' HB2' ' H ' ' A' ' 39' ' ' GLN . 11.0 m -63.48 164.52 9.2 Favored 'General case' 0 N--CA 1.434 -1.252 0 CA-C-N 112.867 -1.97 . . . . 0.0 111.889 178.549 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.94 -19.34 23.39 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.329 176.274 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.61 -62.76 1.55 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.965 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.2 m -58.9 -40.59 84.92 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.047 178.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.564 ' H ' ' HB2' ' A' ' 35' ' ' CYS . 62.0 mt-30 48.64 40.02 14.72 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.59 0.756 . . . . 0.0 111.677 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -91.11 -149.87 0.23 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.478 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.86 64.77 2.07 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 175.214 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.835 ' HG ' HD11 ' A' ' 105' ' ' ILE . 41.0 tp -60.16 -34.08 73.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.639 -177.692 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.471 ' O ' ' HG3' ' A' ' 107' ' ' ARG . . . -78.84 15.61 9.87 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.997 -0.62 . . . . 0.0 113.494 179.284 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -133.33 10.41 4.1 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 117.218 0.509 . . . . 0.0 110.965 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.543 HG12 ' O ' ' A' ' 42' ' ' LEU . 23.4 pt -92.92 -28.21 4.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.842 0.353 . . . . 0.0 111.215 -179.445 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 96.18 -29.48 10.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.874 -0.679 . . . . 0.0 113.027 176.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.51 148.87 33.27 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.499 0.19 . . . . 0.0 110.649 -179.368 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.563 ' HA ' ' HB ' ' A' ' 105' ' ' ILE . 1.3 m -77.25 139.09 39.76 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.899 0.381 . . . . 0.0 110.879 -177.749 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.532 ' OG ' HG13 ' A' ' 105' ' ' ILE . 1.4 p -95.03 -170.61 2.23 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.667 -178.394 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.477 ' CD2' ' HD2' ' A' ' 59' ' ' ARG . 0.6 OUTLIER -129.83 143.96 51.07 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.37 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.25 125.02 53.38 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.874 0.369 . . . . 0.0 111.502 -177.133 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.471 ' HG3' ' CE1' ' A' ' 62' ' ' TYR . 19.6 mmtt -149.61 146.47 27.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.081 178.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.8 m 60.28 22.37 11.8 Favored 'General case' 0 C--N 1.332 -0.168 0 O-C-N 123.469 0.481 . . . . 0.0 111.106 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.38 -2.39 45.98 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.9 -0.666 . . . . 0.0 112.232 -176.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 6.2 mtm -93.99 170.0 9.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.251 0.548 . . . . 0.0 110.498 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.415 HG23 HD21 ' A' ' 104' ' ' LEU . 3.8 mt -110.63 118.38 57.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.057 177.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.533 ' HB3' ' HB3' ' A' ' 61' ' ' ASP . 1.1 mp -124.5 162.39 24.08 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.882 -178.54 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.426 ' SG ' ' HB3' ' A' ' 60' ' ' ASN . 14.1 p -81.57 176.59 9.53 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 169.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.656 ' O ' HG12 ' A' ' 63' ' ' ILE . 4.2 mmm-85 -71.27 -31.63 67.73 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 175.529 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.476 ' O ' ' HD3' ' A' ' 64' ' ' ARG . 55.8 t30 -62.69 -50.11 72.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.591 173.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.533 ' HB3' ' HB3' ' A' ' 57' ' ' LEU . 1.4 m-20 -55.27 -46.68 76.13 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.224 176.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.471 ' CE1' ' HG3' ' A' ' 52' ' ' LYS . 28.1 t80 -54.87 -45.83 74.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.403 179.119 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.656 HG12 ' O ' ' A' ' 59' ' ' ARG . 21.4 mm -68.49 -25.92 32.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.972 0.415 . . . . 0.0 111.274 -178.067 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.476 ' HD3' ' O ' ' A' ' 60' ' ' ASN . 2.5 mpp_? -82.37 -35.17 28.02 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.89 0.376 . . . . 0.0 110.941 178.588 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.5 tp -90.47 -44.46 9.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.878 -175.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -130.31 39.99 3.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.948 0.404 . . . . 0.0 110.349 -176.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.419 ' HA3' ' O ' ' A' ' 63' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.263 0 C-N-CA 121.088 -0.577 . . . . 0.0 113.191 -176.46 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.448 -0.547 0 CA-C-O 121.178 0.513 . . . . 0.0 112.142 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.43 29.05 16.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 114.827 -1.079 . . . . 0.0 112.081 177.372 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.415 HD21 HG23 ' A' ' 56' ' ' ILE . 38.1 tp -66.93 -45.76 76.88 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 176.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.835 HD11 ' HG ' ' A' ' 42' ' ' LEU . 37.5 mt -82.99 124.13 39.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.454 0.645 . . . . 0.0 110.371 174.753 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.592 HG22 ' HD2' ' A' ' 22' ' ' TYR . 88.3 m -131.18 86.15 2.34 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 175.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.471 ' HG3' ' O ' ' A' ' 43' ' ' GLY . 0.0 OUTLIER -119.5 96.86 5.38 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.907 -172.777 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.34 102.3 3.58 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.575 174.147 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.899 ' HG3' HD23 ' A' ' 20' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--O 1.21 -1.018 0 N-CA-C 112.176 0.435 . . . . 0.0 112.176 178.668 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.45 -0.451 0 CA-C-O 120.924 0.393 . . . . 0.0 110.137 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.693 ' HB2' HG12 ' A' ' 15' ' ' ILE . 38.5 t -89.62 137.89 31.94 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.125 -176.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -102.44 3.88 38.19 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.189 176.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.854 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -84.84 -43.42 6.79 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.042 -178.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.8 p -106.42 -73.78 0.67 Allowed 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 175.469 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 151.89 51.1 0.01 OUTLIER Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.542 -0.837 . . . . 0.0 113.112 177.35 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -156.13 -149.8 5.45 Favored Glycine 0 N--CA 1.436 -1.345 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.569 176.318 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.3 tttt -100.73 150.16 23.06 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 176.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.693 HG12 ' HB2' ' A' ' 8' ' ' CYS . 2.1 mt -94.1 105.85 17.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 120.978 0.418 . . . . 0.0 110.653 179.156 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.5 -5.9 53.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.241 0.543 . . . . 0.0 110.051 178.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.89 145.89 37.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.373 179.133 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.87 -45.15 71.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.542 -178.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -89.78 97.6 11.29 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.795 -177.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -101.78 166.64 10.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.998 177.885 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.943 HD22 ' HG ' ' A' ' 33' ' ' LEU . 0.4 OUTLIER -119.07 140.53 49.93 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.858 173.886 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.452 ' HB2' ' HB ' ' A' ' 106' ' ' THR . 3.2 m-85 -113.2 113.59 25.57 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -179.011 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -152.67 140.61 20.17 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 121.014 -0.274 . . . . 0.0 111.575 -177.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.439 ' H ' HD11 ' A' ' 104' ' ' LEU . 6.1 mtm 62.63 32.88 16.11 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.107 179.211 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 64.47 16.8 10.47 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.997 -178.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -130.25 165.92 21.42 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.959 177.612 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.512 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 2.7 m-85 -110.36 152.42 26.25 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.89 -177.427 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.509 ' CD2' HD23 ' A' ' 33' ' ' LEU . 22.0 m95 -139.93 164.54 29.73 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.765 -171.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.577 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 8.3 m80 -79.83 172.0 14.36 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 170.743 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.34 -44.81 82.26 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 120.881 0.372 . . . . 0.0 110.573 176.12 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.1 ttm105 -92.51 1.95 56.96 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.854 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 42.8 m -95.41 -20.62 18.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 122.075 -0.391 . . . . 0.0 110.609 178.614 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.943 ' HG ' HD22 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -87.61 76.45 8.9 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 122.084 0.945 . . . . 0.0 109.499 173.896 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.452 ' HG3' ' HA ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -128.65 164.02 23.81 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 114.367 -1.288 . . . . 0.0 109.672 -176.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 35.0 t -60.48 147.45 41.15 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.967 0.413 . . . . 0.0 110.798 -179.07 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.1 m -77.93 -12.11 59.95 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.071 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.41 -46.57 2.87 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.937 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 70.0 m -79.53 -30.95 42.01 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -178.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.452 ' HA ' ' HG3' ' A' ' 34' ' ' LYS . 18.1 mm-40 60.92 29.53 19.07 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.331 0.586 . . . . 0.0 110.42 -174.53 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.49 138.41 37.58 Favored 'General case' 0 N--CA 1.438 -1.066 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.395 176.68 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.749 ' HB3' ' HB2' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -57.13 114.99 2.38 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 114.948 -1.023 . . . . 0.0 110.229 -177.183 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.444 ' O ' HG12 ' A' ' 45' ' ' ILE . 19.6 mt -79.09 -29.87 43.55 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.384 -174.51 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.38 -7.87 79.08 Favored Glycine 0 C--N 1.329 0.162 0 C-N-CA 120.61 -0.805 . . . . 0.0 111.771 176.219 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.749 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . 6.8 t0 -69.79 -26.08 64.1 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 122.89 0.476 . . . . 0.0 110.668 178.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.444 HG12 ' O ' ' A' ' 42' ' ' LEU . 17.2 pt -100.21 -1.78 9.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.661 -179.201 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 123.72 -122.82 5.02 Favored Glycine 0 N--CA 1.445 -0.726 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.53 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.401 ' HA ' ' HB ' ' A' ' 105' ' ' ILE . 0.1 OUTLIER -128.23 103.25 7.08 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-O 121.636 0.731 . . . . 0.0 109.933 173.884 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.763 ' H ' HD12 ' A' ' 105' ' ' ILE . 4.4 m -161.04 111.24 1.71 Allowed 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.54 179.523 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.591 ' OG ' HG13 ' A' ' 105' ' ' ILE . 0.1 OUTLIER -153.34 124.27 7.37 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 177.335 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -84.12 112.1 19.92 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 120.995 0.426 . . . . 0.0 111.061 -173.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.497 HG23 HD22 ' A' ' 104' ' ' LEU . 0.2 OUTLIER -85.99 100.24 12.0 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.183 -176.07 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.906 ' HE2' HD12 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -157.4 137.32 12.45 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.904 -1.044 . . . . 0.0 108.314 176.205 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 64.98 14.19 9.17 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 123.39 0.431 . . . . 0.0 111.253 -177.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 61.77 21.2 60.54 Favored Glycine 0 C--N 1.333 0.41 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 -173.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.558 ' HB3' ' NZ ' ' A' ' 52' ' ' LYS . 10.9 ttm -113.14 117.32 31.62 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.533 -0.334 . . . . 0.0 110.385 -173.753 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.474 HD11 ' CH2' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -77.22 114.3 17.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.98 -179.197 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.906 HD12 ' HE2' ' A' ' 52' ' ' LYS . 87.5 mt -125.83 166.09 17.5 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.309 177.235 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 7.5 p -81.4 -177.19 6.39 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.331 175.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.6 mtt85 -80.78 -10.58 59.71 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.488 176.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -93.76 -49.18 5.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.816 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -63.66 -35.69 81.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.687 -177.538 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -55.2 -41.87 72.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.373 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.1 mm -64.37 -34.7 71.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.759 -176.25 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.44 HH11 ' HD2' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -85.68 -31.49 22.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.46 -177.479 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.591 HD12 HD13 ' A' ' 57' ' ' LEU . 65.3 mt -91.72 -39.03 12.05 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -174.334 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -125.23 -41.82 2.04 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -172.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.541 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.872 -175.561 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.552 ' O ' ' HA ' ' A' ' 48' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.149 0 CA-C-O 120.51 0.195 . . . . 0.0 111.304 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.417 ' HD3' ' HA ' ' A' ' 103' ' ' ARG . 0.2 OUTLIER -77.69 52.41 1.0 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.439 0.637 . . . . 0.0 111.124 -179.022 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.497 HD22 HG23 ' A' ' 51' ' ' THR . 16.1 tp -93.39 -22.14 19.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.663 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.763 HD12 ' H ' ' A' ' 48' ' ' SER . 54.6 mt -76.61 105.71 5.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.211 0.529 . . . . 0.0 110.615 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.452 ' HB ' ' HB2' ' A' ' 22' ' ' TYR . 36.2 m -100.9 106.01 17.33 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.232 176.536 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.3 111.79 19.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.054 0.455 . . . . 0.0 109.991 -177.175 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 11.7 mt -145.62 100.69 3.47 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.889 177.273 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.571 ' HA ' HD12 ' A' ' 20' ' ' LEU . 21.3 pm0 . . . . . 0 C--N 1.316 -0.879 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.976 179.29 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.525 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.406 0 CA-C-O 121.084 0.469 . . . . 0.0 110.543 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.401 ' HB2' HG12 ' A' ' 15' ' ' ILE . 6.7 t -77.33 145.76 37.16 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.197 -0.911 . . . . 0.0 111.478 -176.363 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.426 ' HA ' ' NH2' ' A' ' 7' ' ' ARG . . . -109.55 8.84 25.25 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.194 172.813 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.639 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -102.4 -44.77 1.79 Allowed Glycine 0 N--CA 1.444 -0.799 0 CA-C-N 115.397 -0.82 . . . . 0.0 112.592 -177.217 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.429 ' SG ' ' N ' ' A' ' 12' ' ' GLY . 20.6 p -110.34 -95.19 0.42 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.985 0.392 . . . . 0.0 111.13 -179.526 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.429 ' N ' ' SG ' ' A' ' 11' ' ' CYS . . . -105.54 -91.67 2.23 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 121.035 -0.602 . . . . 0.0 112.858 -178.308 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -151.07 -97.16 0.16 Allowed Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.73 -177.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.606 ' HD3' ' HB2' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -54.17 114.99 1.82 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.924 0.392 . . . . 0.0 111.853 -177.104 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.745 HG22 ' H ' ' A' ' 17' ' ' ASP . 10.2 mt -73.45 -71.85 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.824 -179.689 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.606 ' HB2' ' HD3' ' A' ' 14' ' ' LYS . . . 62.6 20.48 12.04 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 123.555 0.534 . . . . 0.0 111.458 -179.038 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.745 ' H ' HG22 ' A' ' 15' ' ' ILE . 0.5 OUTLIER -100.6 155.9 17.61 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.755 175.698 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 ttm105 -75.89 -40.13 55.06 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 176.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.0 m-30 -91.66 113.5 25.78 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.162 178.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.407 HD21 ' CE2' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -151.66 168.59 24.53 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.492 177.897 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.617 HD13 ' HA3' ' A' ' 43' ' ' GLY . 0.2 OUTLIER -128.2 154.48 45.77 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.0 0.429 . . . . 0.0 110.942 -177.35 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.455 ' HD2' ' CD1' ' A' ' 27' ' ' TYR . 2.8 m-85 -121.35 114.47 21.37 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.052 177.74 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -146.38 130.63 17.52 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.818 0.342 . . . . 0.0 111.423 -176.007 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 61.26 39.09 16.03 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.233 178.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 59.32 25.17 13.78 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.306 -178.138 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.91 148.01 52.29 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.393 175.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.468 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 11.6 m-30 -97.99 149.2 22.7 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 -177.667 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.512 ' CD2' HD23 ' A' ' 33' ' ' LEU . 35.2 m95 -142.07 175.09 10.01 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.846 -172.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.603 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 15.9 m80 -94.16 166.51 12.09 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 166.105 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -42.73 98.84 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.912 0.386 . . . . 0.0 110.838 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.6 tpp85 -84.16 -20.17 32.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.214 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.639 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 57.8 m -77.95 -24.45 48.19 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.603 ' HG ' HD22 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -85.36 87.58 7.4 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 172.426 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.57 ' HG3' ' HA ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -132.28 170.69 14.7 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.974 -175.437 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 41.9 t -60.18 145.94 45.24 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.258 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.1 m -84.01 -8.98 59.0 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.376 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.3 m -111.15 -43.21 3.77 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.372 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.5 m -100.38 -17.44 17.22 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -177.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.57 ' HA ' ' HG3' ' A' ' 34' ' ' LYS . 87.2 mm-40 63.61 22.15 13.03 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.51 0.671 . . . . 0.0 109.287 -170.455 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.26 122.7 23.26 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.118 -179.397 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.705 ' HG3' ' HB3' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -48.57 116.67 1.68 Allowed 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 114.365 -1.289 . . . . 0.0 111.096 -179.748 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 55.9 mt -108.08 -39.94 5.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.663 -175.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.617 ' HA3' HD13 ' A' ' 21' ' ' LEU . . . -85.89 -32.29 18.42 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.091 -1.052 . . . . 0.0 112.879 -177.416 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.705 ' HB3' ' HG3' ' A' ' 41' ' ' GLN . 10.2 t0 -75.78 -5.12 44.3 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -175.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 pt -95.83 -13.28 8.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.549 176.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.33 -20.88 43.61 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.909 -0.662 . . . . 0.0 113.569 175.651 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.59 174.05 10.88 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.774 0.287 . . . . 0.0 111.255 -178.39 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.449 ' HA ' ' HB ' ' A' ' 105' ' ' ILE . 0.1 OUTLIER -89.98 158.72 17.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.05 0.452 . . . . 0.0 111.357 -178.217 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.5 p -105.65 171.92 7.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.12 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.489 ' HE2' ' HG3' ' A' ' 59' ' ' ARG . 2.0 m-85 -110.31 114.22 27.5 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.059 177.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -112.25 115.42 28.77 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.202 0.525 . . . . 0.0 111.22 -178.05 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.486 ' HB3' ' CE1' ' A' ' 66' ' ' PHE . 17.0 tptt -144.89 135.06 24.04 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.359 177.722 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.636 ' HB2' ' HG3' ' A' ' 55' ' ' MET . 66.3 m 68.78 17.25 8.84 Favored 'General case' 0 N--CA 1.466 0.34 0 O-C-N 123.433 0.458 . . . . 0.0 110.931 -176.07 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 78.1 -5.51 54.01 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.506 -0.854 . . . . 0.0 111.359 -172.439 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.636 ' HG3' ' HB2' ' A' ' 53' ' ' SER . 0.1 OUTLIER -80.58 116.66 20.73 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 121.266 0.555 . . . . 0.0 109.821 178.064 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 13.2 mt -85.77 100.55 9.01 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.046 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.36 177.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.8 mt -112.42 164.76 12.89 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.25 -172.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.638 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 25.6 p -80.5 167.82 19.68 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.417 -0.81 . . . . 0.0 109.256 173.442 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.489 ' HG3' ' HE2' ' A' ' 50' ' ' TYR . 20.0 ttm-85 -61.02 -38.22 85.32 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.763 0.316 . . . . 0.0 111.532 -176.388 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.456 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 36.8 t30 -72.77 -42.99 63.38 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.626 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.638 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 4.6 m-20 -60.26 -39.28 86.26 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.636 -178.76 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.428 ' HE1' ' HB2' ' A' ' 52' ' ' LYS . 83.8 t80 -56.56 -40.76 75.71 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.017 -178.77 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 13.0 mm -72.15 -20.85 20.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -178.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' A' ' 60' ' ' ASN . 5.1 mtp180 -85.06 -42.95 14.35 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.728 176.721 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.05 -43.2 35.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.849 -175.035 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.486 ' CE1' ' HB3' ' A' ' 52' ' ' LYS . 88.6 m-85 -117.98 -43.17 2.77 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.049 -176.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.916 -0.659 . . . . 0.0 113.127 177.43 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.173 0 N-CA-C 110.561 -0.163 . . . . 0.0 110.561 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 64.05 23.98 13.4 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.978 0.418 . . . . 0.0 111.328 177.285 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.79 19.91 15.15 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.896 0.379 . . . . 0.0 110.704 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.526 HG23 HD21 ' A' ' 21' ' ' LEU . 2.5 mt -115.17 119.4 61.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.141 0.496 . . . . 0.0 110.307 175.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 40.1 m -109.95 108.96 19.41 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 174.223 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.03 100.65 7.09 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -171.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 34.0 mt -137.57 110.52 7.71 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.871 178.519 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 . . . . . 0 C--N 1.314 -0.941 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.719 -178.538 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.44 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.71 ' HB2' HG12 ' A' ' 15' ' ' ILE . 2.8 t -62.82 124.54 21.3 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.168 -177.744 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.69 2.58 29.02 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.937 178.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.889 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -88.07 -49.36 3.8 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.032 178.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.426 ' SG ' ' N ' ' A' ' 12' ' ' GLY . 21.0 p -108.67 -86.81 0.51 Allowed 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.491 177.694 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.426 ' N ' ' SG ' ' A' ' 11' ' ' CYS . . . 160.73 77.28 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 121.148 -0.548 . . . . 0.0 112.123 179.547 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -178.82 -174.85 45.39 Favored Glycine 0 N--CA 1.425 -2.083 0 N-CA-C 110.046 -1.222 . . . . 0.0 110.046 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.3 mtmt -82.91 131.07 35.2 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-N 115.495 -0.353 . . . . 0.0 110.075 177.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.71 HG12 ' HB2' ' A' ' 8' ' ' CYS . 3.9 mt -78.19 90.41 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.719 -177.452 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.31 24.38 2.96 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.821 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -100.51 147.86 25.43 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.476 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.1 -5.78 59.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.02 0.438 . . . . 0.0 110.152 177.535 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -116.94 86.25 2.47 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.299 175.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.493 ' HB2' HG21 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -114.16 169.61 8.9 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.8 -175.758 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.646 HD21 HG23 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -131.14 157.17 43.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.851 -177.427 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.716 ' HD2' HG22 ' A' ' 106' ' ' THR . 5.6 m-85 -125.83 125.44 42.88 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 175.69 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -151.89 128.05 10.48 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 121.172 -0.211 . . . . 0.0 110.942 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.58 ' HG3' HG21 ' A' ' 51' ' ' THR . 7.0 mmm 63.09 37.4 11.56 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.94 -179.497 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 59.8 17.2 6.22 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.701 -178.116 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -120.48 143.83 48.32 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 173.762 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.463 ' CD1' ' HD1' ' A' ' 22' ' ' TYR . 6.5 m-30 -95.64 150.18 20.64 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 120.67 -0.412 . . . . 0.0 109.9 -177.035 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 9.7 m95 -134.65 176.5 8.58 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.138 -174.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.41 ' HB3' ' H ' ' A' ' 30' ' ' SER . 4.3 m80 -83.6 -152.0 0.12 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.347 -0.842 . . . . 0.0 108.965 168.767 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.41 ' H ' ' HB3' ' A' ' 29' ' ' HIS . 0.1 OUTLIER -102.8 -54.1 2.71 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.053 0.454 . . . . 0.0 110.33 175.225 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.44 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 1.0 OUTLIER -79.22 -13.62 59.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.576 -178.48 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.889 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 82.9 m -78.36 -16.32 57.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.48 -178.288 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.623 HD22 HD22 ' A' ' 21' ' ' LEU . 16.8 tp -85.05 62.45 7.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.748 0.785 . . . . 0.0 109.721 173.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.464 ' CG ' ' HA ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -114.73 155.26 27.0 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.456 -179.66 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.448 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 45.2 t -58.91 140.0 55.92 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 123.402 0.438 . . . . 0.0 110.128 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.2 m -72.57 -5.75 39.3 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.038 0.447 . . . . 0.0 110.446 176.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.52 -41.42 2.82 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.34 -178.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.448 ' HB2' ' HB3' ' A' ' 35' ' ' CYS . 72.3 m -91.86 -30.94 15.9 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -177.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.464 ' HA ' ' CG ' ' A' ' 34' ' ' LYS . 2.2 mp0 63.74 23.81 13.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.49 -173.591 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -93.86 135.38 35.24 Favored 'General case' 0 N--CA 1.438 -1.051 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.009 175.381 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.65 114.86 3.52 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.813 -177.749 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.494 HD12 HD11 ' A' ' 45' ' ' ILE . 0.8 OUTLIER -65.65 -18.2 65.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.943 -172.848 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -91.3 -2.98 70.05 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.109 178.058 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -95.02 -34.37 12.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.212 0.53 . . . . 0.0 109.896 178.191 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.494 HD11 HD12 ' A' ' 42' ' ' LEU . 2.7 pt -89.27 55.34 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.335 177.26 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.91 -131.38 10.46 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -175.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.24 102.91 2.97 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.958 0.409 . . . . 0.0 110.264 172.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -160.37 153.92 22.32 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 178.235 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.403 ' HB3' HD23 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -161.44 133.77 5.91 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.515 ' O ' ' HA ' ' A' ' 56' ' ' ILE . 14.3 m-85 -119.53 122.94 42.76 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.857 -176.49 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.58 HG21 ' HG3' ' A' ' 24' ' ' MET . 0.2 OUTLIER -92.3 103.63 16.07 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.944 0.402 . . . . 0.0 110.932 179.845 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.64 ' O ' ' HG2' ' A' ' 55' ' ' MET . 8.5 mmtm -140.14 136.54 33.62 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.482 -179.214 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.9 m 63.42 22.34 13.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.293 -179.205 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 79.01 5.05 89.04 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.069 -178.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.64 ' HG2' ' O ' ' A' ' 52' ' ' LYS . 4.1 ptt? -121.61 -179.18 4.01 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 178.777 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.515 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -118.09 136.16 56.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.221 0.534 . . . . 0.0 110.945 179.634 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 69.5 mt -122.07 168.45 11.94 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.813 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.687 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 27.6 p -83.94 170.48 13.95 Favored 'General case' 0 N--CA 1.442 -0.833 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 173.015 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.3 tpp85 -69.17 -34.47 74.99 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.182 0.515 . . . . 0.0 109.923 177.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -66.06 -41.47 90.74 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.997 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.687 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 6.4 m-20 -77.86 -32.86 52.24 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.573 -177.122 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -52.94 -42.29 65.31 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.366 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.427 ' O ' ' HA3' ' A' ' 67' ' ' GLY . 2.1 mm -71.9 -14.0 17.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.023 0.439 . . . . 0.0 111.473 -178.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.4 mtt180 -87.67 -53.89 4.55 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.306 0.574 . . . . 0.0 109.945 175.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.543 ' HB3' ' CD1' ' A' ' 66' ' ' PHE . 0.2 OUTLIER -71.94 -48.66 43.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.912 -176.106 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.543 ' CD1' ' HB3' ' A' ' 65' ' ' LEU . 93.8 m-85 -126.83 32.53 5.11 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.921 0.391 . . . . 0.0 111.035 -175.293 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.427 ' HA3' ' O ' ' A' ' 63' ' ' ILE . . . . . . . . 0 N--CA 1.45 -0.384 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.104 179.368 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.428 ' HB2' ' H ' ' A' ' 103' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.386 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.428 ' H ' ' HB2' ' A' ' 102' ' ' GLU . 0.1 OUTLIER 45.0 43.86 7.61 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.162 0.506 . . . . 0.0 111.553 175.819 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.6 mt -102.73 -3.47 26.42 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.937 -176.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.646 HG23 HD21 ' A' ' 21' ' ' LEU . 17.6 mt -77.97 93.35 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-O 121.459 0.647 . . . . 0.0 110.971 -179.634 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.716 HG22 ' HD2' ' A' ' 22' ' ' TYR . 97.9 m -101.15 86.68 3.07 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 175.294 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.451 ' H ' ' HG3' ' A' ' 107' ' ' ARG . 0.0 OUTLIER -93.21 143.48 26.22 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.287 -171.15 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.498 ' HB2' ' CE2' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -138.94 103.93 4.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.61 178.741 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 C--N 1.319 -0.747 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.106 178.322 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.41 ' HD3' ' O ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.366 0 CA-C-O 120.754 0.312 . . . . 0.0 110.788 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.597 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -89.65 141.23 28.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.866 -177.933 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.86 7.85 41.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.599 -177.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.919 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -108.91 -69.13 0.64 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.422 -0.894 . . . . 0.0 111.882 178.737 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.439 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -86.83 -7.83 57.87 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 171.062 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.597 ' HA2' ' O ' ' A' ' 8' ' ' CYS . . . 62.44 59.24 9.66 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 121.301 -0.476 . . . . 0.0 113.223 172.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -132.31 -160.7 9.75 Favored Glycine 0 N--CA 1.428 -1.848 0 C-N-CA 120.5 -0.857 . . . . 0.0 111.314 176.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -101.66 118.5 37.07 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-N 115.078 -0.561 . . . . 0.0 110.385 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.683 HG23 ' CD2' ' A' ' 29' ' ' HIS . 0.1 OUTLIER -97.9 91.47 2.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.456 178.084 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.66 27.42 3.46 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.54 0.686 . . . . 0.0 109.575 176.001 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.18 152.16 20.58 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.477 -177.411 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.454 HH11 ' HB2' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -78.87 -33.68 45.58 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.673 0.749 . . . . 0.0 109.306 176.376 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.699 ' HA ' ' HB3' ' A' ' 109' ' ' GLU . 0.6 OUTLIER -88.12 97.26 10.89 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.675 -1.148 . . . . 0.0 109.76 179.299 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.724 ' O ' ' HA ' ' A' ' 108' ' ' LEU . 0.0 OUTLIER -159.27 159.03 33.6 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 120.337 -0.545 . . . . 0.0 111.296 -177.943 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.629 HD13 HD21 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -109.09 156.33 19.92 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.173 0.511 . . . . 0.0 111.433 -176.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.456 ' CD1' ' N ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -132.11 131.61 42.5 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.252 178.363 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -153.19 134.24 14.04 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.899 -0.137 . . . . 0.0 111.046 178.485 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.541 ' HG3' HG21 ' A' ' 51' ' ' THR . 69.0 mmm 64.12 35.63 10.22 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 123.574 0.546 . . . . 0.0 111.067 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.84 23.55 11.41 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.943 -176.005 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.27 145.17 50.12 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.265 -0.88 . . . . 0.0 108.736 174.699 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.434 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 6.5 m-85 -101.77 159.43 15.33 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-O 120.793 0.33 . . . . 0.0 110.447 -175.287 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.717 ' HE3' ' HB2' ' A' ' 32' ' ' CYS . 18.1 m95 -141.11 166.26 25.26 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.199 -174.197 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.797 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 52.2 m80 -86.73 -126.58 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 170.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.1 m -109.01 -41.1 4.81 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.902 173.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.7 1.32 43.28 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -170.455 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.919 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 0.0 OUTLIER -78.85 -46.24 19.04 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 122.026 -0.421 . . . . 0.0 111.369 -177.179 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.629 HD21 HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -93.3 121.63 34.87 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.363 0.601 . . . . 0.0 110.082 178.221 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.542 ' HG3' ' HA ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -165.33 165.96 19.03 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.967 -1.015 . . . . 0.0 108.737 -175.13 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.635 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 43.2 t -61.99 143.0 57.15 Favored 'General case' 0 N--CA 1.443 -0.791 0 O-C-N 123.291 0.37 . . . . 0.0 110.052 178.827 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.97 -24.33 65.14 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.771 178.389 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.69 -46.25 3.85 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.635 ' HB2' ' HB3' ' A' ' 35' ' ' CYS . 96.9 m -71.1 -39.71 71.95 Favored 'General case' 0 CA--C 1.521 -0.137 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.628 -179.435 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.542 ' HA ' ' HG3' ' A' ' 34' ' ' LYS . 76.0 mm-40 62.29 25.29 15.1 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.707 -178.629 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.417 ' O ' ' HB2' ' A' ' 34' ' ' LYS . . . -100.73 157.12 16.93 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.823 177.174 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.81 103.55 0.36 Allowed 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.689 -179.092 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 42' ' ' LEU . 3.8 mt -70.85 -1.64 12.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.678 -176.183 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -109.84 6.71 31.22 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.692 -0.766 . . . . 0.0 111.797 176.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -111.12 -58.8 2.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.035 0.445 . . . . 0.0 111.2 -177.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -82.32 49.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.24 0.543 . . . . 0.0 111.051 -179.095 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 100.6 112.55 3.48 Favored Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -175.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.703 HG22 HG21 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -77.99 105.3 9.1 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.299 0.571 . . . . 0.0 111.176 -174.042 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.71 158.72 35.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.348 178.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.55 ' O ' ' HA ' ' A' ' 102' ' ' GLU . 0.1 OUTLIER -149.9 154.88 39.06 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.733 0.301 . . . . 0.0 110.95 -177.553 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.528 ' HE2' ' HA ' ' A' ' 59' ' ' ARG . 5.2 m-85 -137.4 104.89 5.5 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.94 178.561 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.541 HG21 ' HG3' ' A' ' 24' ' ' MET . 0.2 OUTLIER -98.15 102.55 14.32 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.042 -177.615 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -155.04 138.8 16.17 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.649 178.018 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.3 m 62.88 28.35 16.34 Favored 'General case' 0 C--N 1.332 -0.173 0 O-C-N 123.473 0.483 . . . . 0.0 111.438 -178.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.95 18.08 66.17 Favored Glycine 0 C--N 1.332 0.344 0 C-N-CA 120.92 -0.657 . . . . 0.0 111.965 -177.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.2 mtm -115.54 170.35 8.49 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.827 0.346 . . . . 0.0 110.652 -176.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.421 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 0.8 OUTLIER -136.39 116.73 17.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.055 177.554 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 mt -127.33 168.7 14.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.118 -173.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.658 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 26.2 p -87.76 178.97 6.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.918 175.638 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.528 ' HA ' ' HE2' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -61.25 -49.54 76.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.804 0.335 . . . . 0.0 110.708 178.722 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -65.43 -44.35 87.63 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.059 -178.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.658 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 0.6 OUTLIER -71.42 -31.84 67.7 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.625 -176.669 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.467 ' HD1' HD13 ' A' ' 63' ' ' ILE . 54.4 t80 -61.17 -38.33 86.11 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.017 0.437 . . . . 0.0 110.142 175.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.508 HG12 ' O ' ' A' ' 59' ' ' ARG . 10.6 mm -68.68 -27.14 34.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.704 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.404 ' HE ' ' HA ' ' A' ' 61' ' ' ASP . 0.8 OUTLIER -80.71 -29.63 36.39 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.47 175.863 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.31 -53.88 6.82 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.958 -178.064 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -121.95 -43.96 2.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.079 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.399 0 C-N-CA 120.523 -0.846 . . . . 0.0 113.117 177.079 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.55 ' HA ' ' O ' ' A' ' 49' ' ' SER . 0.0 OUTLIER . . . . . 0 C--O 1.234 0.244 0 CA-C-O 120.376 0.132 . . . . 0.0 111.1 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.514 ' H ' ' HB2' ' A' ' 102' ' ' GLU . 0.1 OUTLIER 54.88 43.5 29.86 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.32 0.581 . . . . 0.0 110.346 -178.452 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.56 -6.22 15.45 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.547 -175.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.703 HG21 HG22 ' A' ' 47' ' ' THR . 6.2 mt -84.58 122.11 37.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 120.974 0.416 . . . . 0.0 111.49 -177.412 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.08 108.52 20.35 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 167.369 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.61 163.25 27.38 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 114.584 1.327 . . . . 0.0 114.584 -163.397 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.798 HD13 ' H ' ' A' ' 108' ' ' LEU . 0.0 OUTLIER -63.66 -163.88 0.01 OUTLIER 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 111.373 -2.649 . . . . 0.0 112.877 -177.051 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.699 ' HB3' ' HA ' ' A' ' 19' ' ' PHE . 16.3 pm0 . . . . . 0 C--N 1.317 -0.809 0 CA-C-N 113.85 -1.523 . . . . 0.0 113.845 -166.235 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.441 ' HD3' ' N ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.376 0 N-CA-C 112.424 0.528 . . . . 0.0 112.424 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.545 ' HB2' HG12 ' A' ' 15' ' ' ILE . 8.1 t -56.75 147.17 23.66 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.412 0.625 . . . . 0.0 111.375 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -116.26 12.09 15.29 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.398 174.321 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.607 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -103.18 -31.47 5.0 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.447 -0.797 . . . . 0.0 113.13 -176.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.1 p -123.1 -115.26 0.3 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 117.126 0.463 . . . . 0.0 111.789 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -96.28 -53.66 1.45 Allowed Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.885 -0.598 . . . . 0.0 113.19 -175.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -174.26 -105.78 0.19 Allowed Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 119.891 -1.147 . . . . 0.0 113.611 -177.384 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -55.3 138.05 46.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.299 0.571 . . . . 0.0 111.893 -173.147 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.545 HG12 ' HB2' ' A' ' 8' ' ' CYS . 8.7 mt -90.89 130.87 39.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.957 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.84 -0.91 53.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.836 -174.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.436 ' H ' HG22 ' A' ' 15' ' ' ILE . 5.2 m-20 -79.17 156.48 28.2 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 176.331 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.0 ttp-105 -70.33 -31.98 69.51 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 175.26 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.689 ' HB2' ' HG2' ' A' ' 109' ' ' GLU . 6.2 m-85 -119.41 -153.06 0.52 Allowed 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 114.216 -1.356 . . . . 0.0 108.425 174.565 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.693 ' HG ' ' HB3' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -158.99 -179.03 7.68 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.215 0.531 . . . . 0.0 112.142 178.183 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.882 HD22 HD13 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -105.2 152.45 22.82 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 170.409 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.464 ' CD2' ' CE1' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -118.09 126.79 52.94 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.42 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.463 ' HB2' HD11 ' A' ' 33' ' ' LEU . . . -152.41 130.91 12.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 123.179 0.3 . . . . 0.0 111.018 178.089 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.0 mtt 59.93 38.4 21.06 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.043 -179.33 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 65.15 8.06 4.55 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.999 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.07 163.73 15.2 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 175.33 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.693 ' HB3' ' HG ' ' A' ' 20' ' ' LEU . 12.5 m-30 -102.54 148.37 25.63 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.352 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.47 ' CB ' HD12 ' A' ' 33' ' ' LEU . 35.7 m95 -136.26 175.19 9.83 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.229 -170.355 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.703 ' HB2' ' HB2' ' A' ' 32' ' ' CYS . 3.2 m80 -88.11 173.21 8.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.542 -1.208 . . . . 0.0 108.678 168.277 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.57 -45.56 37.06 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.191 0.519 . . . . 0.0 110.061 174.51 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.539 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 9.0 ttt-85 -83.69 -16.3 45.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.717 -177.746 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.703 ' HB2' ' HB2' ' A' ' 29' ' ' HIS . 34.6 m -79.76 -20.08 47.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.993 0.425 . . . . 0.0 110.402 178.292 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.882 HD13 HD22 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -88.76 25.22 1.81 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.186 173.864 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.587 ' HD3' ' H ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -67.44 165.88 15.73 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.605 178.072 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.576 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 43.9 t -64.35 138.5 58.46 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.699 174.292 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.7 m -76.86 -4.09 41.94 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.19 0.519 . . . . 0.0 109.877 175.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.2 -43.09 3.25 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.29 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.576 ' HB2' ' HB3' ' A' ' 35' ' ' CYS . 96.2 m -85.52 -31.05 22.94 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.431 0.158 . . . . 0.0 110.95 178.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 63.46 19.87 11.93 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.347 -172.212 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.52 141.7 33.01 Favored 'General case' 0 N--CA 1.437 -1.108 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.713 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.504 ' HG2' ' HA ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -55.18 109.91 0.6 Allowed 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 114.357 -1.292 . . . . 0.0 111.01 -177.525 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.671 ' O ' HG12 ' A' ' 45' ' ' ILE . 0.3 OUTLIER -76.36 -21.99 55.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.792 -178.435 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.93 -26.55 74.2 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.544 -0.836 . . . . 0.0 111.821 175.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -61.16 -30.0 70.13 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 122.695 0.398 . . . . 0.0 111.521 -179.229 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.671 HG12 ' O ' ' A' ' 42' ' ' LEU . 8.5 pt -79.34 -10.74 12.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.242 -179.327 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.58 10.47 67.01 Favored Glycine 0 C--N 1.331 0.28 0 CA-C-N 116.025 -0.534 . . . . 0.0 113.429 174.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.603 ' H ' HG13 ' A' ' 45' ' ' ILE . 0.3 OUTLIER -120.85 167.52 12.44 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.456 ' HA ' ' HB ' ' A' ' 105' ' ' ILE . 2.9 m -78.43 152.99 31.86 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.5 0.667 . . . . 0.0 111.828 -177.362 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.553 ' HB3' HD23 ' A' ' 42' ' ' LEU . 2.8 p -97.97 -179.62 4.47 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.543 -176.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.573 ' HE2' ' HD3' ' A' ' 59' ' ' ARG . 15.9 m-85 -120.02 143.85 47.85 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.144 176.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -120.04 114.08 21.47 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.488 -175.431 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.427 ' O ' ' HG2' ' A' ' 55' ' ' MET . 2.2 tttp -155.73 145.41 21.19 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 175.434 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.2 m 65.0 19.87 11.97 Favored 'General case' 0 N--CA 1.464 0.273 0 O-C-N 123.571 0.544 . . . . 0.0 111.207 -177.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 70.42 11.44 68.13 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.123 -178.212 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.427 ' HG2' ' O ' ' A' ' 52' ' ' LYS . 2.6 ptp -112.67 166.61 11.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.874 0.369 . . . . 0.0 110.307 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.8 mm -104.5 123.69 58.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.074 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -113.18 142.68 45.5 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -177.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.659 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 28.5 p -80.56 165.23 22.29 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 169.538 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.573 ' HD3' ' HE2' ' A' ' 50' ' ' TYR . 7.6 tpp180 -59.31 -42.57 91.67 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.974 0.416 . . . . 0.0 110.278 -179.217 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.421 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -63.13 -47.98 80.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.883 178.688 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.659 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 17.2 m-20 -73.07 -33.62 65.76 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-O 120.569 0.223 . . . . 0.0 111.444 -175.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -58.41 -37.7 75.88 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.951 177.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 95.0 mt -66.35 -41.32 88.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.397 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 64' ' ' ARG . 10.6 mtp-105 -68.4 -30.54 69.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.997 0.427 . . . . 0.0 110.679 177.472 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.423 ' HB3' ' CD2' ' A' ' 66' ' ' PHE . 1.1 mm? -84.68 -59.6 2.31 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.739 -174.466 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.423 ' CD2' ' HB3' ' A' ' 65' ' ' LEU . 3.5 m-85 -134.32 -36.83 0.88 Allowed 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -174.698 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 0.233 0 O-C-N 123.356 0.41 . . . . 0.0 114.0 -173.745 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 121.45 0.643 . . . . 0.0 109.742 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -172.5 29.1 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 -178.403 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.6 tp -101.5 -4.2 27.2 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.755 -1.111 . . . . 0.0 111.582 -172.352 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.688 HG23 HD21 ' A' ' 21' ' ' LEU . 16.1 mt -110.69 89.05 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.822 0.82 . . . . 0.0 110.828 177.43 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.461 ' O ' ' HD1' ' A' ' 22' ' ' TYR . 21.8 m -95.8 105.83 17.89 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.831 -1.077 . . . . 0.0 108.945 175.792 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.45 ' HB2' ' HG ' ' A' ' 21' ' ' LEU . 6.9 tpt180 -130.58 116.2 17.81 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.246 0.546 . . . . 0.0 111.551 -174.361 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.0 159.93 42.98 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.04 171.568 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.689 ' HG2' ' HB2' ' A' ' 19' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.32 -0.712 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 -176.265 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.52 -0.203 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.459 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 10.7 t -71.25 142.38 50.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.255 0.55 . . . . 0.0 111.762 -176.528 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -107.16 -0.15 22.96 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.352 172.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.885 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -92.07 -40.65 5.14 Favored Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.212 179.367 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.461 ' SG ' ' N ' ' A' ' 12' ' ' GLY . 26.4 p -120.14 -88.03 0.63 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.718 0.294 . . . . 0.0 110.413 175.337 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.461 ' N ' ' SG ' ' A' ' 11' ' ' CYS . . . 162.27 107.1 0.21 Allowed Glycine 0 N--CA 1.444 -0.775 0 N-CA-C 111.675 -0.57 . . . . 0.0 111.675 178.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 156.45 139.97 2.86 Favored Glycine 0 N--CA 1.437 -1.244 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -177.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -60.75 131.91 52.21 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.56 HD12 ' HB3' ' A' ' 27' ' ' TYR . 1.1 mt -93.74 105.97 17.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.143 0.497 . . . . 0.0 111.75 -172.415 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -108.39 23.05 15.09 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.892 176.244 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.08 139.89 50.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.058 -178.105 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -68.9 -41.49 78.2 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 174.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.685 ' HA ' ' HG2' ' A' ' 109' ' ' GLU . 12.0 m-85 -112.3 107.87 16.86 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.008 178.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -143.75 154.07 43.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.399 0.618 . . . . 0.0 111.805 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.785 HD21 HG23 ' A' ' 105' ' ' ILE . 1.1 tt -113.37 148.86 34.96 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.111 -0.95 . . . . 0.0 108.921 177.398 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.636 ' HB2' ' O ' ' A' ' 26' ' ' SER . 27.7 p90 -151.8 157.26 41.71 Favored 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 119.988 -0.685 . . . . 0.0 112.017 179.63 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.86 160.53 41.27 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.085 -178.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 4.2 mtp 62.45 28.85 17.0 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 123.342 0.401 . . . . 0.0 111.056 177.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 69.93 -0.11 2.85 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.206 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.636 ' O ' ' HB2' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -110.08 157.55 19.22 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 176.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.625 ' HA ' ' CB ' ' A' ' 22' ' ' TYR . 6.7 m-30 -90.33 157.02 17.85 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.025 0.441 . . . . 0.0 110.377 179.133 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.53 ' CE3' ' HA ' ' A' ' 33' ' ' LEU . 61.5 m95 -142.91 173.9 11.14 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.756 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 35.5 m80 -103.19 158.45 16.31 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 164.489 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.74 -44.07 66.19 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -174.388 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.43 -4.51 45.02 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 121.253 -0.179 . . . . 0.0 111.372 179.353 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.885 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 20.1 m -79.64 -35.7 38.98 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 176.109 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.53 ' HA ' ' CE3' ' A' ' 28' ' ' TRP . 31.9 tp -68.32 -70.21 0.28 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 175.636 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.8 ' HG3' ' HA ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER 50.05 -174.13 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 115.028 -0.987 . . . . 0.0 113.277 172.117 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.617 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 51.5 t -98.34 143.25 29.01 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.002 175.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.7 m -74.53 -7.09 51.95 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.94 0.4 . . . . 0.0 110.404 177.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.491 ' HB2' ' OD2' ' A' ' 61' ' ' ASP . 0.1 OUTLIER -117.7 -43.68 2.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.273 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.617 ' HB2' ' HB3' ' A' ' 35' ' ' CYS . 93.8 m -79.86 -45.67 18.25 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.981 -0.288 . . . . 0.0 110.649 177.661 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.8 ' HA ' ' HG3' ' A' ' 34' ' ' LYS . 47.8 mt-30 65.71 18.97 11.34 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.068 -177.571 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.15 -154.54 0.48 Allowed 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.539 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.472 ' HB3' ' HB2' ' A' ' 44' ' ' ASP . 2.2 tp-100 -83.99 97.61 9.36 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.027 0.441 . . . . 0.0 110.244 178.371 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.44 HD12 HD11 ' A' ' 45' ' ' ILE . 19.8 tp -61.99 -25.3 67.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.191 -177.715 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -92.54 5.1 77.09 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.84 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.472 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . 11.5 t70 -100.51 -12.8 19.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.2 0.524 . . . . 0.0 110.912 -179.113 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.522 HG13 ' H ' ' A' ' 45' ' ' ILE . 0.4 OUTLIER -105.14 36.78 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.984 178.181 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 99.58 -144.12 16.85 Favored Glycine 0 N--CA 1.442 -0.946 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 -172.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.606 HG22 HG21 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -143.46 103.78 4.15 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.099 0.476 . . . . 0.0 110.475 174.278 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.8 m -159.85 140.83 12.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.93 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.53 ' OG ' HG13 ' A' ' 105' ' ' ILE . 0.1 OUTLIER -148.76 128.0 12.92 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.61 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.549 ' CE1' ' HA ' ' A' ' 59' ' ' ARG . 14.3 m-85 -109.7 104.14 13.08 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.256 -175.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.492 ' HA ' ' O ' ' A' ' 55' ' ' MET . 90.6 m -87.96 102.49 14.78 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.559 176.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -154.85 132.71 11.5 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.188 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.2 m 67.88 21.62 8.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.87 0.367 . . . . 0.0 110.748 -174.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 75.01 3.72 69.65 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.814 -0.708 . . . . 0.0 111.486 -175.605 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.492 ' O ' ' HA ' ' A' ' 51' ' ' THR . 19.7 mtm -94.6 164.13 13.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.817 0.341 . . . . 0.0 110.333 -179.651 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.448 HG21 HD11 ' A' ' 33' ' ' LEU . 2.7 mp -136.95 97.05 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.606 177.599 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.506 HD11 ' CE2' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -111.4 -179.38 3.7 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.009 -175.885 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.495 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 12.5 p -87.35 174.86 8.29 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.871 175.063 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.549 ' HA ' ' CE1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -63.03 -38.0 89.43 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.974 0.416 . . . . 0.0 110.734 179.558 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -75.05 -43.31 54.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.426 -178.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.495 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 62.6 m-20 -70.3 -24.5 63.04 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.129 -177.329 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.427 ' HA ' HD13 ' A' ' 57' ' ' LEU . 60.4 t80 -60.05 -40.65 90.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.235 178.196 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.4 mm -67.83 -31.05 50.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.15 0.5 . . . . 0.0 110.56 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -72.92 -43.25 62.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.152 177.244 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.38 -57.7 3.73 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.2 -175.502 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.506 ' CE2' HD11 ' A' ' 57' ' ' LEU . 23.6 m-85 -118.95 -28.27 5.57 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -172.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.44 0 C-N-CA 120.384 -0.912 . . . . 0.0 112.782 179.501 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.494 ' CD ' ' HD2' ' A' ' 103' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.444 -0.774 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.494 ' HD2' ' CD ' ' A' ' 102' ' ' GLU . 3.9 mmm180 49.69 39.08 16.79 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 122.9 0.48 . . . . 0.0 111.301 177.316 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.33 -21.31 13.13 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.027 -178.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.785 HG23 HD21 ' A' ' 21' ' ' LEU . 11.5 mt -64.85 108.15 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.728 0.775 . . . . 0.0 110.321 178.084 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.02 126.0 54.34 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.156 179.016 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -133.23 119.13 19.44 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 120.909 0.385 . . . . 0.0 110.679 -175.485 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.8 tp -142.48 102.72 4.13 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.895 176.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.685 ' HG2' ' HA ' ' A' ' 19' ' ' PHE . 40.6 mt-10 . . . . . 0 C--N 1.316 -0.861 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.432 -179.136 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.538 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.203 0 CA-C-O 120.739 0.304 . . . . 0.0 110.491 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.469 ' HB2' HG12 ' A' ' 15' ' ' ILE . 45.0 t -86.25 136.26 33.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.94 -174.421 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -103.36 3.2 34.95 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.917 175.029 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.668 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -83.01 -47.92 5.63 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.066 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.403 ' SG ' ' N ' ' A' ' 12' ' ' GLY . 11.6 p -103.3 -87.11 0.43 Allowed 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 175.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.403 ' N ' ' SG ' ' A' ' 11' ' ' CYS . . . 168.3 57.33 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.546 -0.835 . . . . 0.0 113.044 177.715 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -162.32 -150.21 5.91 Favored Glycine 0 N--CA 1.435 -1.378 0 C-N-CA 120.718 -0.753 . . . . 0.0 111.306 176.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -101.28 156.43 17.45 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 115.343 -0.429 . . . . 0.0 110.137 177.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.469 HG12 ' HB2' ' A' ' 8' ' ' CYS . 1.0 OUTLIER -100.75 93.3 2.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 120.907 0.384 . . . . 0.0 110.462 177.032 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.67 27.58 2.29 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.354 0.597 . . . . 0.0 110.104 177.685 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.89 153.62 17.61 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.727 -177.109 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -76.36 -23.09 54.16 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.584 0.707 . . . . 0.0 109.654 176.789 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.641 ' HD1' ' HG2' ' A' ' 109' ' ' GLU . 37.2 m-85 -126.09 127.81 46.38 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.719 -179.112 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.461 HD21 ' CE2' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -151.3 176.46 11.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.69 0.281 . . . . 0.0 111.123 -178.4 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.685 HD11 HG23 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -128.83 151.72 49.28 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.969 0.414 . . . . 0.0 110.872 -178.304 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.631 ' HD2' ' CD1' ' A' ' 27' ' ' TYR . 1.1 m-85 -123.25 128.77 50.45 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 175.174 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.407 ' HB3' ' NE1' ' A' ' 28' ' ' TRP . . . -153.11 127.8 9.45 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.941 -0.304 . . . . 0.0 111.672 -177.456 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.426 ' HG3' HG21 ' A' ' 51' ' ' THR . 0.4 OUTLIER 62.22 43.59 8.37 Favored 'General case' 0 N--CA 1.466 0.359 0 O-C-N 123.644 0.59 . . . . 0.0 111.858 176.283 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 62.27 19.73 11.23 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.087 0.47 . . . . 0.0 111.072 -179.303 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.7 155.97 45.72 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 177.015 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.631 ' CD1' ' HD2' ' A' ' 22' ' ' TYR . 7.4 m-85 -109.45 153.07 24.55 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 -178.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.462 ' CD2' HD23 ' A' ' 33' ' ' LEU . 19.8 m95 -140.39 164.36 30.31 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.573 -173.118 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.581 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 10.0 m80 -83.33 166.41 18.49 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.097 169.822 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.82 -42.4 97.62 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.954 0.407 . . . . 0.0 110.425 175.8 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.455 ' HG2' ' OE1' ' A' ' 41' ' ' GLN . 0.3 OUTLIER -85.58 -19.91 30.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.595 -179.895 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.668 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 66.1 m -79.66 -21.37 44.87 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.329 -178.398 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.624 ' HG ' HD22 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -82.91 80.99 8.8 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.603 0.716 . . . . 0.0 109.664 173.398 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.662 ' HG3' ' HA ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -137.01 165.76 25.25 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.132 -176.374 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 50.3 t -62.27 146.49 50.81 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.619 179.411 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.02 -19.93 61.1 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.837 177.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.44 -46.83 3.76 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -178.705 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 59.3 m -86.17 -29.81 22.95 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -174.667 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.662 ' HA ' ' HG3' ' A' ' 34' ' ' LYS . 4.8 mp0 66.26 25.19 10.58 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 -168.778 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -85.49 132.08 34.26 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.687 179.539 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.534 ' HB3' ' HB3' ' A' ' 44' ' ' ASP . 1.6 tp60 -64.59 105.12 0.9 Allowed 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 114.71 -1.132 . . . . 0.0 110.75 -174.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.928 HD21 ' HA ' ' A' ' 58' ' ' CYS . 18.0 mt -67.08 -22.42 65.84 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.054 -177.366 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -91.91 7.0 79.43 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.207 177.251 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.534 ' HB3' ' HB3' ' A' ' 41' ' ' GLN . 24.3 t70 -113.7 -32.07 6.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.577 0.227 . . . . 0.0 110.716 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.419 HD11 HD23 ' A' ' 42' ' ' LEU . 34.0 pt -84.27 54.03 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.763 0.792 . . . . 0.0 110.122 175.659 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 87.83 -130.92 10.33 Favored Glycine 0 N--CA 1.441 -0.98 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.9 -174.467 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.0 m -143.04 102.1 3.94 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 174.375 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.6 m -161.61 158.21 25.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.821 0.344 . . . . 0.0 110.66 177.443 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.553 ' OG ' HG12 ' A' ' 105' ' ' ILE . 0.1 OUTLIER -166.29 138.99 3.91 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 175.417 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.409 ' O ' ' HA ' ' A' ' 56' ' ' ILE . 12.0 m-85 -118.76 117.13 28.07 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.803 -172.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.426 HG21 ' HG3' ' A' ' 24' ' ' MET . 0.2 OUTLIER -96.57 102.06 13.78 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.277 179.538 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -156.72 142.81 18.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.6 175.788 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.5 m 63.71 25.44 14.2 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 123.667 0.604 . . . . 0.0 111.573 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 69.94 13.02 68.99 Favored Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 111.856 -0.498 . . . . 0.0 111.856 -177.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 2.6 mtm -114.94 172.65 6.92 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.837 0.351 . . . . 0.0 110.567 -176.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.409 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 1.1 mm -126.27 92.5 2.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.531 -0.758 . . . . 0.0 109.508 176.084 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -85.93 161.84 18.84 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.061 0.458 . . . . 0.0 110.922 -176.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.928 ' HA ' HD21 ' A' ' 42' ' ' LEU . 6.0 p -80.73 -175.13 5.12 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.535 174.244 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 59' ' ' ARG . 0.5 OUTLIER -84.1 3.28 35.45 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.004 0.43 . . . . 0.0 110.163 174.677 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -104.55 -49.04 3.64 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.238 0.542 . . . . 0.0 110.197 177.502 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.412 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 40.3 m-20 -69.48 -44.23 71.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.096 -177.426 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.424 ' HD2' HD13 ' A' ' 63' ' ' ILE . 69.2 t80 -53.57 -46.01 70.14 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.748 -175.75 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.456 ' H ' HG12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -73.17 -21.39 19.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.28 -176.467 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 64' ' ' ARG . 13.2 mtt180 -86.2 -25.03 25.86 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.074 0.464 . . . . 0.0 109.917 176.251 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 65' ' ' LEU . 0.2 OUTLIER -81.2 -61.87 1.82 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.696 179.918 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.55 -44.92 1.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.626 -178.49 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.444 ' CA ' ' HA ' ' A' ' 63' ' ' ILE . . . . . . . . 0 CA--C 1.521 0.411 0 CA-C-N 115.89 -0.595 . . . . 0.0 113.828 177.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.407 ' HB2' ' H ' ' A' ' 103' ' ' ARG . 1.7 pp20? . . . . . 0 CA--C 1.532 0.257 0 CA-C-O 120.562 0.22 . . . . 0.0 110.521 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.407 ' H ' ' HB2' ' A' ' 102' ' ' GLU . 0.0 OUTLIER 46.58 46.76 14.58 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.652 -0.704 . . . . 0.0 112.728 174.693 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.404 ' HB3' ' OG ' ' A' ' 49' ' ' SER . 19.7 tp -83.4 -0.28 49.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.584 0.707 . . . . 0.0 109.313 174.453 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.685 HG23 HD11 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -76.09 98.34 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.686 -179.305 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.42 ' HB ' ' HB2' ' A' ' 22' ' ' TYR . 1.2 m -103.61 121.82 43.72 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 171.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.32 139.28 44.19 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.383 0.611 . . . . 0.0 111.47 -173.469 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.21 103.93 3.9 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.0 177.111 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.641 ' HG2' ' HD1' ' A' ' 19' ' ' PHE . 2.5 mt-10 . . . . . 0 C--N 1.323 -0.586 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.349 -176.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.51 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.775 0.321 . . . . 0.0 110.228 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.436 ' SG ' ' HA ' ' A' ' 28' ' ' TRP . 12.7 t -85.95 151.16 23.97 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.387 -176.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -115.35 2.03 13.87 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.1 -0.954 . . . . 0.0 109.373 173.43 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.904 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -92.68 -50.81 2.44 Favored Glycine 0 N--CA 1.448 -0.565 0 CA-C-N 115.472 -0.785 . . . . 0.0 112.037 -179.409 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.6 p -98.37 -23.63 15.53 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.012 175.413 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.35 4.69 54.93 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.36 -0.836 . . . . 0.0 113.539 173.346 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.91 -150.74 17.49 Favored Glycine 0 N--CA 1.434 -1.453 0 C-N-CA 120.0 -1.095 . . . . 0.0 113.046 -178.416 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -102.63 142.34 33.96 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 114.63 -0.785 . . . . 0.0 110.55 -179.712 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.627 HG21 ' HB2' ' A' ' 20' ' ' LEU . 2.6 mt -101.3 95.43 3.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.724 0.297 . . . . 0.0 111.206 177.19 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -105.49 6.95 32.8 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.608 0.718 . . . . 0.0 109.227 173.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -80.42 150.95 29.59 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.84 -1.073 . . . . 0.0 110.302 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.5 tpm_? -67.75 -26.28 66.05 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.31 0.576 . . . . 0.0 111.207 -178.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -106.49 112.09 24.94 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.401 -175.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.627 ' HB2' HG21 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -145.25 170.4 16.35 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.142 0.496 . . . . 0.0 111.073 -177.12 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.886 HD21 HG23 ' A' ' 105' ' ' ILE . 0.4 OUTLIER -131.84 151.51 51.63 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.035 177.269 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.537 ' HD2' ' CD1' ' A' ' 27' ' ' TYR . 0.3 OUTLIER -123.22 118.08 26.79 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 173.611 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.496 ' HA ' ' O ' ' A' ' 104' ' ' LEU . . . -149.56 147.29 27.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.811 0.339 . . . . 0.0 111.666 -176.398 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.534 ' HG2' HG23 ' A' ' 51' ' ' THR . 1.5 mtp 54.82 39.02 31.22 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.267 176.801 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 64.58 30.73 12.64 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.249 0.547 . . . . 0.0 110.795 178.072 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -149.04 168.95 21.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.576 177.786 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.537 ' CD1' ' HD2' ' A' ' 22' ' ' TYR . 7.2 m-85 -110.34 149.82 29.66 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 178.389 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.444 ' CD2' HD23 ' A' ' 33' ' ' LEU . 18.7 m95 -144.9 178.15 8.23 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.749 -172.211 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.723 ' H ' ' HB2' ' A' ' 32' ' ' CYS . 23.7 m80 -100.62 173.94 6.3 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 168.097 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.41 -46.28 90.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.677 0.275 . . . . 0.0 111.418 -178.752 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.1 ttp85 -94.58 -9.08 36.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.292 -179.162 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.904 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 68.4 m -78.93 -31.89 45.37 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 177.07 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.444 HD23 ' CD2' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -80.82 74.67 7.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.482 174.484 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.443 ' H ' ' HG3' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -111.69 161.09 16.64 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.885 -179.899 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.768 ' HB3' ' H ' ' A' ' 39' ' ' GLN . 5.9 t -64.03 164.43 10.6 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.749 -178.727 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.5 m -92.28 -15.08 27.9 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.589 175.294 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.498 ' HB2' ' OD2' ' A' ' 61' ' ' ASP . 2.9 m -108.42 -72.11 0.73 Allowed 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 121.015 -0.274 . . . . 0.0 111.322 179.444 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 18.5 p -80.42 -22.15 41.47 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -174.528 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.768 ' H ' ' HB3' ' A' ' 35' ' ' CYS . 1.4 mp0 65.07 19.15 11.75 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.367 0.667 . . . . 0.0 111.818 -177.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.53 124.65 24.46 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-O 121.108 0.48 . . . . 0.0 109.894 177.068 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -51.39 103.67 0.06 Allowed 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 114.355 -1.293 . . . . 0.0 110.816 -176.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.654 HD23 HD11 ' A' ' 45' ' ' ILE . 2.1 mt -70.48 -20.2 62.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.966 -175.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.2 -33.42 49.41 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.355 -0.926 . . . . 0.0 111.762 176.059 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -76.79 -25.87 53.83 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -178.027 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.654 HD11 HD23 ' A' ' 42' ' ' LEU . 32.2 pt -79.7 -17.3 12.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.949 -179.237 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 62.5 45.9 94.92 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.535 176.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.05 179.83 6.51 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.413 ' HA ' ' HB ' ' A' ' 105' ' ' ILE . 0.0 OUTLIER -94.86 162.06 13.91 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.864 0.364 . . . . 0.0 111.351 -177.051 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.4 p -110.61 -174.76 2.55 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.423 175.304 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.567 ' HB2' ' HE3' ' A' ' 52' ' ' LYS . 34.5 m-85 -127.28 155.07 44.09 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 178.698 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.534 HG23 ' HG2' ' A' ' 24' ' ' MET . 0.2 OUTLIER -109.27 110.79 22.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.037 0.446 . . . . 0.0 111.697 178.861 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.791 ' HE2' HD12 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -156.73 134.01 10.58 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.663 174.569 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 m 60.03 11.7 2.8 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 123.667 0.605 . . . . 0.0 112.302 178.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 68.24 8.32 54.45 Favored Glycine 0 CA--C 1.52 0.402 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.437 -174.04 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.7 ttm -100.25 100.72 11.58 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 122.825 0.45 . . . . 0.0 110.517 -176.403 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 37.8 mt -63.12 121.02 11.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.248 -177.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.791 HD12 ' HE2' ' A' ' 52' ' ' LYS . 45.0 mt -125.54 157.87 35.99 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.0 178.197 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.593 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 10.0 p -79.02 173.56 12.45 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 174.61 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.476 ' HD3' ' OE2' ' A' ' 102' ' ' GLU . 0.3 OUTLIER -69.43 -15.67 63.33 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.01 0.433 . . . . 0.0 110.309 176.542 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -90.33 -49.61 6.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.801 179.455 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.593 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 17.8 m-20 -69.0 -26.25 64.92 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.728 -178.438 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.506 ' HD2' HD13 ' A' ' 63' ' ' ILE . 79.2 t80 -58.26 -40.59 82.22 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.018 175.06 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.506 HD13 ' HD2' ' A' ' 62' ' ' TYR . 10.4 mm -72.71 -25.75 22.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.705 179.34 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.453 ' HG3' ' HA ' ' A' ' 61' ' ' ASP . 6.5 mtt-85 -71.43 -40.83 70.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.943 178.604 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 33.5 mt -96.62 -49.74 4.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.144 -0.48 . . . . 0.0 112.284 -174.433 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.619 ' CZ ' ' HG3' ' A' ' 52' ' ' LYS . 16.3 m-85 -100.89 -41.56 6.79 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.851 0.358 . . . . 0.0 110.988 -174.722 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.606 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.862 178.409 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.476 ' OE2' ' HD3' ' A' ' 59' ' ' ARG . 2.1 mt-10 . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.556 0.217 . . . . 0.0 110.828 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 57.77 29.01 16.76 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.624 0.726 . . . . 0.0 109.94 -176.701 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.497 ' HG ' ' H ' ' A' ' 24' ' ' MET . 12.2 tp -84.08 -7.11 59.47 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.835 -1.075 . . . . 0.0 111.265 -175.011 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.886 HG23 HD21 ' A' ' 21' ' ' LEU . 15.5 mt -113.85 110.28 31.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.324 0.583 . . . . 0.0 110.842 -178.551 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.495 ' HB ' ' HD1' ' A' ' 22' ' ' TYR . 18.7 m -107.77 118.28 36.33 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.073 177.539 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.16 121.22 44.32 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.035 0.445 . . . . 0.0 111.606 -172.75 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.432 HD22 ' HA ' ' A' ' 108' ' ' LEU . 0.4 OUTLIER -103.52 108.86 20.29 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.602 173.702 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.322 -0.6 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.506 -177.035 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.415 ' NH2' ' HA ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 121.036 0.446 . . . . 0.0 110.743 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.456 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 27.2 t -63.01 130.35 44.32 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.643 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.415 ' HA ' ' NH2' ' A' ' 7' ' ' ARG . . . -88.06 -1.16 57.83 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.258 178.694 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.818 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -87.09 -54.42 2.6 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.217 179.573 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.6 p -105.09 -44.04 4.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.928 0.395 . . . . 0.0 110.693 178.488 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 110.19 106.45 2.98 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.705 -0.759 . . . . 0.0 111.995 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 153.93 149.76 5.3 Favored Glycine 0 N--CA 1.432 -1.597 0 C-N-CA 120.892 -0.67 . . . . 0.0 111.711 -178.299 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt -67.26 98.6 0.63 Allowed 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.557 HG22 ' HB2' ' A' ' 17' ' ' ASP . 4.1 mt -51.32 -72.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.015 -0.993 . . . . 0.0 112.07 -172.645 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 60.15 18.58 7.93 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.136 0.493 . . . . 0.0 111.78 -179.497 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.557 ' HB2' HG22 ' A' ' 15' ' ' ILE . 5.3 m-20 -85.63 162.32 18.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.167 179.295 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.626 ' C ' ' HB2' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -83.78 8.13 15.67 Favored 'General case' 0 C--O 1.214 -0.768 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.131 177.044 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.661 ' HA ' ' HB3' ' A' ' 108' ' ' LEU . 6.7 m-85 -153.22 111.94 3.72 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 122.016 -0.428 . . . . 0.0 110.901 175.57 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.795 ' O ' ' HA ' ' A' ' 108' ' ' LEU . 1.9 pp -155.51 145.97 21.96 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.881 178.372 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.825 HD22 HD22 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -92.89 142.38 27.38 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.985 -179.888 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.607 ' HD2' ' CD1' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -113.23 127.59 56.21 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 171.65 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -150.18 135.69 18.19 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 121.252 -0.179 . . . . 0.0 111.043 -177.077 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 1.5 mmm 62.49 31.82 16.88 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.65 -178.333 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 61.69 13.54 5.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.835 -177.707 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.61 152.9 25.91 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 171.513 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.607 ' CD1' ' HD2' ' A' ' 22' ' ' TYR . 9.7 m-30 -102.71 140.01 37.55 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 -176.213 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.425 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 42.2 m95 -138.84 -178.71 5.44 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.403 -171.07 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.618 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 14.1 m80 -100.34 163.03 12.57 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 165.154 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.65 -43.45 89.79 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.952 0.406 . . . . 0.0 111.01 179.545 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.1 ttm-85 -95.12 -3.9 47.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.767 -178.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.818 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 17.2 m -84.36 -38.5 20.23 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.766 178.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.825 HD22 HD22 ' A' ' 21' ' ' LEU . 14.9 tp -63.75 -55.61 21.9 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 175.311 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.495 ' HG3' ' C ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER 42.13 -178.69 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 172.225 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.455 ' O ' ' HD2' ' A' ' 34' ' ' LYS . 3.4 m -83.93 169.78 14.69 Favored 'General case' 0 N--CA 1.431 -1.402 0 CA-C-N 112.43 -2.168 . . . . 0.0 111.103 -172.223 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.56 ' OG ' HD23 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -90.2 -49.12 6.74 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.608 174.854 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.83 -51.22 2.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.88 -177.694 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -34.95 79.17 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -176.407 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.436 ' H ' ' CB ' ' A' ' 35' ' ' CYS . 2.3 mp0 63.97 40.19 7.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.836 -177.459 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -98.69 -161.67 0.89 Allowed 'General case' 0 N--CA 1.441 -0.908 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 174.35 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.687 ' HB3' ' HB2' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -100.88 121.58 41.97 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.09 177.43 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.627 ' HB3' HD11 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -62.85 -33.18 74.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.034 -174.417 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -95.92 -2.29 61.13 Favored Glycine 0 C--N 1.329 0.17 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.703 -178.464 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.687 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . 25.8 t0 -85.29 -27.3 26.06 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.349 0.595 . . . . 0.0 110.314 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.5 pt -87.73 3.11 5.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.779 178.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 123.25 -168.47 15.45 Favored Glycine 0 N--CA 1.445 -0.709 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 -176.081 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.99 101.28 12.72 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 117.462 0.631 . . . . 0.0 109.766 176.145 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.491 ' H ' HD12 ' A' ' 105' ' ' ILE . 4.2 m -161.39 140.98 10.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.764 0.316 . . . . 0.0 111.534 -179.061 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.55 ' OG ' HG13 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -162.48 132.29 4.51 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.059 177.095 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.5 ' CE2' ' HG3' ' A' ' 102' ' ' GLU . 21.0 m-85 -112.27 128.49 56.28 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -112.19 101.63 9.86 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.889 0.376 . . . . 0.0 110.608 177.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -142.97 140.89 31.26 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.403 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 25.1 m 64.52 23.93 12.99 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 123.462 0.476 . . . . 0.0 111.331 -178.316 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 69.27 16.5 71.23 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.776 -0.725 . . . . 0.0 111.683 -175.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -103.57 167.13 9.99 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.779 0.323 . . . . 0.0 110.447 -177.506 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.6 mp -124.07 112.75 33.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.44 175.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.672 ' HB3' ' HB3' ' A' ' 61' ' ' ASP . 0.1 OUTLIER -126.36 148.39 49.59 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.171 -174.402 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.414 ' SG ' ' HB3' ' A' ' 60' ' ' ASN . 16.6 p -77.93 -173.85 3.3 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 171.432 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.437 ' HD3' ' OE1' ' A' ' 102' ' ' GLU . 10.5 tpt180 -71.79 -28.92 63.93 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.674 0.273 . . . . 0.0 110.744 177.508 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.414 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . 38.3 t30 -77.99 -42.42 32.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.928 0.394 . . . . 0.0 110.453 176.721 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.672 ' HB3' ' HB3' ' A' ' 57' ' ' LEU . 2.5 m-20 -59.7 -39.36 84.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.595 179.176 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -57.67 -42.41 83.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.353 179.079 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.539 ' HA ' ' HA3' ' A' ' 67' ' ' GLY . 30.3 mm -72.33 -28.06 27.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.253 0.549 . . . . 0.0 110.782 179.146 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 64' ' ' ARG . 7.9 mtp180 -70.24 -41.41 73.58 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.805 177.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.0 mp -90.21 -57.34 2.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.888 -175.297 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -118.28 31.87 6.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.755 0.312 . . . . 0.0 111.243 -176.033 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.539 ' HA3' ' HA ' ' A' ' 63' ' ' ILE . . . . . . . . 0 N--CA 1.445 -0.757 0 C-N-CA 120.389 -0.91 . . . . 0.0 112.19 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.5 ' HG3' ' CE2' ' A' ' 50' ' ' TYR . 1.9 tt0 . . . . . 0 N--CA 1.451 -0.409 0 CA-C-O 120.583 0.23 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.429 ' HD3' ' HB3' ' A' ' 102' ' ' GLU . 0.0 OUTLIER 52.85 44.72 29.97 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.274 -0.875 . . . . 0.0 112.552 173.018 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.438 HD12 ' O ' ' A' ' 49' ' ' SER . 7.8 mt -96.03 8.39 43.85 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.271 0.558 . . . . 0.0 110.073 177.018 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.736 HG12 HD21 ' A' ' 21' ' ' LEU . 10.5 mt -86.69 126.8 40.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.3 -177.815 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.451 ' HB ' ' HB2' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -100.45 126.79 46.88 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 169.707 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 107' ' ' ARG . 0.0 OUTLIER -64.4 163.41 13.24 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -171.198 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.83 ' H ' HD22 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -63.33 -174.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.241 -1.345 . . . . 0.0 111.991 -178.006 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.626 ' HB2' ' C ' ' A' ' 18' ' ' ARG . 5.9 mm-40 . . . . . 0 N--CA 1.449 -0.501 0 CA-C-O 121.689 0.757 . . . . 0.0 111.925 -173.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.41 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.447 -0.583 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.1 t -79.7 149.14 31.3 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.426 -176.131 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -112.26 -0.05 15.6 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.558 173.356 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.594 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -92.14 -59.2 1.32 Allowed Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.03 179.095 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.3 p -93.79 -34.07 13.33 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 174.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 109.7 -3.57 30.65 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.545 -0.836 . . . . 0.0 113.616 171.222 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.92 -155.68 21.68 Favored Glycine 0 N--CA 1.432 -1.595 0 C-N-CA 120.012 -1.09 . . . . 0.0 112.366 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -103.47 149.47 24.81 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-N 115.003 -0.598 . . . . 0.0 110.159 176.449 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.605 HG21 ' HB2' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -100.25 105.16 17.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.178 0.513 . . . . 0.0 111.086 -179.733 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -115.18 13.76 16.84 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.612 0.72 . . . . 0.0 109.283 175.101 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.3 173.0 13.02 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.828 -1.078 . . . . 0.0 110.092 178.17 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.1 ttm-85 -91.08 -31.09 16.39 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.384 0.612 . . . . 0.0 109.677 178.055 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -100.99 113.28 26.12 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.942 179.182 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.605 ' HB2' HG21 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -141.41 159.97 41.12 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.884 0.373 . . . . 0.0 110.683 -178.733 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.487 HD21 HG23 ' A' ' 105' ' ' ILE . 0.4 OUTLIER -123.51 146.43 48.09 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.962 -179.462 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.493 ' HD2' HG22 ' A' ' 106' ' ' THR . 1.7 m-85 -112.75 117.68 32.89 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 173.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.468 ' HB1' HD13 ' A' ' 104' ' ' LEU . . . -146.52 131.16 17.85 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.908 -0.133 . . . . 0.0 110.937 -176.33 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.425 ' SD ' HG21 ' A' ' 51' ' ' THR . 9.9 mtm 64.38 29.7 13.45 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 123.622 0.576 . . . . 0.0 110.917 -179.096 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 64.61 15.61 9.8 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.976 -176.571 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.18 167.75 11.53 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 173.806 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.461 ' CD1' ' HD1' ' A' ' 22' ' ' TYR . 11.1 m-85 -111.3 151.31 28.52 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.533 -178.556 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 29.7 m95 -142.81 171.73 13.65 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.922 -173.062 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.664 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 27.4 m80 -96.59 163.3 13.08 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 168.673 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.13 -45.61 83.37 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -175.749 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.458 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.7 OUTLIER -99.0 -0.79 41.32 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 121.102 -0.239 . . . . 0.0 111.166 -179.685 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.664 ' SG ' ' HB2' ' A' ' 29' ' ' HIS . 22.2 m -79.3 -30.39 42.86 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 174.453 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.616 ' O ' ' HB2' ' A' ' 42' ' ' LEU . 8.9 tp -86.32 61.19 6.68 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.377 -0.829 . . . . 0.0 108.795 169.414 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.458 ' HB3' ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -92.87 157.98 16.09 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.948 -178.229 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.504 ' HB3' ' H ' ' A' ' 39' ' ' GLN . 0.1 OUTLIER -75.43 -176.19 3.08 Favored 'General case' 0 N--CA 1.438 -1.029 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.271 -178.763 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -106.51 -45.76 4.17 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.902 -179.146 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.461 ' HB3' HD21 ' A' ' 65' ' ' LEU . 45.5 p -103.44 -40.85 6.19 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.744 -177.343 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -86.78 -21.12 26.7 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 119.983 -0.687 . . . . 0.0 109.514 176.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.504 ' H ' ' HB3' ' A' ' 35' ' ' CYS . 2.5 mm-40 45.33 42.86 7.78 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 114.753 -1.112 . . . . 0.0 111.758 174.249 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -89.69 169.17 11.53 Favored 'General case' 0 N--CA 1.428 -1.535 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.364 177.284 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -78.36 87.59 4.39 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-N 114.779 -1.1 . . . . 0.0 109.364 176.015 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.616 ' HB2' ' O ' ' A' ' 33' ' ' LEU . 6.0 mt -59.51 -27.8 66.48 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.368 -176.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.41 ' HA2' ' CD1' ' A' ' 21' ' ' LEU . . . -76.55 -0.35 67.28 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.701 -0.681 . . . . 0.0 113.427 179.206 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.63 -29.93 14.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.03 0.443 . . . . 0.0 110.578 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 7.7 pt -93.98 -33.81 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.464 -177.252 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.755 ' HA2' HG21 ' A' ' 105' ' ' ILE . . . 70.54 21.71 77.71 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.857 178.291 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.472 ' O ' HD12 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -91.09 -167.58 1.85 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.815 0.341 . . . . 0.0 111.122 -179.114 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.74 134.24 39.23 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.736 -173.657 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.53 ' OG ' HG13 ' A' ' 105' ' ' ILE . 2.1 p -129.9 152.34 49.47 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.204 176.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -124.3 155.28 38.95 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.628 0.251 . . . . 0.0 110.629 -176.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.425 HG21 ' SD ' ' A' ' 24' ' ' MET . 5.1 m -118.67 111.71 18.87 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.622 -175.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -153.71 143.32 21.74 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.748 176.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 71.9 m 67.14 21.26 10.12 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.555 0.534 . . . . 0.0 111.441 -176.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 69.99 17.54 73.71 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.815 -0.707 . . . . 0.0 111.491 -176.624 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.01 164.97 13.91 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.842 0.353 . . . . 0.0 110.597 -176.447 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 44.2 mm -117.11 128.89 74.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.611 178.16 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.85 ' HB3' ' HB3' ' A' ' 61' ' ' ASP . 0.7 OUTLIER -138.41 145.08 40.56 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 -175.12 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 30.4 p -76.82 174.91 9.96 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 173.224 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.497 ' O ' HG12 ' A' ' 63' ' ' ILE . 4.0 tpp85 -58.59 -40.01 81.96 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.963 0.411 . . . . 0.0 110.539 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -66.28 -42.71 88.06 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.949 177.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.85 ' HB3' ' HB3' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -62.06 -41.92 98.65 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.937 177.504 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -54.9 -52.16 63.77 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.571 -176.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.497 HG12 ' O ' ' A' ' 59' ' ' ARG . 2.1 mm -68.48 -29.66 44.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.027 0.442 . . . . 0.0 110.914 -179.262 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -69.85 -41.09 75.35 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.73 178.222 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.505 HD13 ' HA ' ' A' ' 65' ' ' LEU . 0.4 OUTLIER -86.0 -57.93 2.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.147 -173.916 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -122.2 19.48 10.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.669 -0.241 . . . . 0.0 111.186 -174.451 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.274 0 C-N-CA 121.278 -0.487 . . . . 0.0 113.137 -178.174 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 . . . . . 0 C--O 1.235 0.312 0 CA-C-O 120.67 0.271 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.48 71.02 0.54 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.05 178.476 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.468 HD13 ' HB1' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -113.53 -41.9 3.55 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.886 -179.825 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.755 HG21 ' HA2' ' A' ' 46' ' ' GLY . 54.2 mt -85.36 120.44 35.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.238 0.542 . . . . 0.0 111.639 -177.474 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.493 HG22 ' HD2' ' A' ' 22' ' ' TYR . 81.5 m -126.0 101.54 6.85 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 171.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.37 153.99 30.01 Favored 'General case' 0 C--N 1.318 -0.784 0 O-C-N 121.721 -0.612 . . . . 0.0 111.381 -170.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.44 104.14 3.89 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.513 176.29 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.434 ' H ' ' HG2' ' A' ' 109' ' ' GLU . 4.0 pt-20 . . . . . 0 C--N 1.321 -0.654 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.51 -175.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.512 -0.513 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 53.9 t -75.59 134.53 40.66 Favored 'General case' 0 N--CA 1.439 -1.016 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.579 175.033 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -92.98 0.93 57.51 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.965 176.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.833 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -94.58 -56.57 1.33 Allowed Glycine 0 N--CA 1.444 -0.807 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.553 -179.18 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.1 p -103.88 -24.96 13.23 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.823 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 88.09 109.0 1.01 Allowed Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.581 -179.019 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 154.94 143.37 3.65 Favored Glycine 0 N--CA 1.434 -1.446 0 C-N-CA 120.716 -0.754 . . . . 0.0 111.813 -177.259 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.57 122.71 15.36 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.339 -0.431 . . . . 0.0 110.057 177.594 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.536 HG22 ' HB2' ' A' ' 17' ' ' ASP . 1.7 mt -89.77 -94.96 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 111.776 0.288 . . . . 0.0 111.776 -174.189 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 60.05 30.67 20.13 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.212 0.53 . . . . 0.0 110.391 -174.055 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.536 ' HB2' HG22 ' A' ' 15' ' ' ILE . 1.2 m-20 -79.68 166.16 22.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.111 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -71.16 -31.39 67.63 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 174.019 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -119.31 95.97 5.02 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.601 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.572 ' H ' HD12 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -133.33 176.43 8.53 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.231 0.538 . . . . 0.0 110.603 176.738 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.085 HD21 HG23 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -129.63 162.05 29.17 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.227 177.939 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.598 ' HD1' ' HB ' ' A' ' 106' ' ' THR . 0.4 OUTLIER -135.09 134.8 40.68 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 174.124 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -149.43 108.26 3.86 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.302 -176.493 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.14 59.98 2.21 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.673 -179.546 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 71.58 -33.56 0.27 Allowed 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 178.709 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.46 148.65 24.86 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.687 0.279 . . . . 0.0 110.496 -179.59 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.557 ' CD1' ' HD2' ' A' ' 22' ' ' TYR . 8.9 m-30 -96.84 162.05 13.59 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.915 0.388 . . . . 0.0 110.407 -178.017 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.419 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 70.2 m95 -146.82 178.25 8.47 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.697 -176.28 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.675 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 24.5 m80 -101.85 162.72 12.69 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 164.016 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.15 -18.46 61.88 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.221 -0.591 . . . . 0.0 110.691 -179.079 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -94.9 -27.72 15.56 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.367 175.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.833 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 58.8 m -78.49 -16.58 57.35 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.093 0.473 . . . . 0.0 109.929 176.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.657 ' HG ' HD22 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -75.41 77.39 2.47 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 167.781 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.72 162.44 26.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.155 -166.425 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.744 ' HB3' ' H ' ' A' ' 39' ' ' GLN . 0.3 OUTLIER -75.51 166.34 23.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.597 176.739 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.447 ' OG ' HG12 ' A' ' 56' ' ' ILE . 1.5 m -99.4 7.17 45.74 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 166.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.483 ' HB2' ' OD2' ' A' ' 61' ' ' ASP . 0.3 OUTLIER -121.9 -77.05 0.58 Allowed 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.997 -176.265 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 22.7 p -79.42 -26.25 41.89 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.731 0.301 . . . . 0.0 110.933 -178.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.744 ' H ' ' HB3' ' A' ' 35' ' ' CYS . 59.0 mt-30 55.03 39.44 31.59 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.245 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -84.45 -154.36 0.17 Allowed 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.785 177.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.974 ' HG2' ' HB2' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -94.73 87.28 4.99 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 121.202 0.525 . . . . 0.0 109.842 176.736 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.409 HD11 ' HB3' ' A' ' 58' ' ' CYS . 5.0 mp -79.36 -6.73 57.44 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.202 -178.373 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -105.74 38.54 3.25 Favored Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.093 177.598 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.974 ' HB2' ' HG2' ' A' ' 41' ' ' GLN . 0.3 OUTLIER -152.38 48.33 0.75 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.531 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -135.22 9.79 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.495 -173.112 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 102.05 -122.81 7.67 Favored Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 -173.704 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.457 ' HA ' ' HB ' ' A' ' 105' ' ' ILE . 1.4 t -144.47 99.32 3.34 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.834 0.826 . . . . 0.0 111.183 170.222 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.478 ' HA ' ' O ' ' A' ' 103' ' ' ARG . 0.0 OUTLIER -166.16 113.86 0.91 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.426 170.675 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.8 p -107.81 177.76 4.72 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 178.319 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.61 ' HE2' ' HA ' ' A' ' 59' ' ' ARG . 2.5 m-85 -133.0 101.42 5.22 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.533 177.05 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.82 102.57 15.27 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.437 178.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.8 tptt -149.73 126.02 10.77 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 121.251 -0.18 . . . . 0.0 111.066 -178.364 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 58.6 m 61.97 13.09 5.33 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 174.533 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 69.81 25.82 75.12 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 119.687 -1.244 . . . . 0.0 110.459 -172.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.09 138.88 52.58 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.447 HG12 ' OG ' ' A' ' 36' ' ' SER . 0.1 OUTLIER -92.53 125.13 45.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.299 179.631 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.401 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 0.9 OUTLIER -135.21 151.31 50.5 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.636 179.657 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.635 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 9.8 p -89.08 -175.77 4.92 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 171.241 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.61 ' HA ' ' HE2' ' A' ' 50' ' ' TYR . 9.7 tpt180 -63.36 -46.51 86.23 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.694 -0.402 . . . . 0.0 109.926 177.708 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.79 -46.74 80.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.246 178.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.635 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 22.3 m-20 -75.77 -19.97 58.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.526 -174.474 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -66.79 -45.82 77.23 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 174.027 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.57 HG12 ' O ' ' A' ' 59' ' ' ARG . 2.5 mm -69.97 -23.74 25.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.293 0.568 . . . . 0.0 110.451 177.673 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.515 ' HB3' ' HA ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -76.26 -48.67 19.43 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.822 179.838 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.76 -34.21 15.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.974 -174.736 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -126.67 25.39 6.43 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.466 -174.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.449 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 175.378 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.234 0.272 0 CA-C-O 121.247 0.546 . . . . 0.0 110.501 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.478 ' O ' ' HA ' ' A' ' 48' ' ' SER . 3.0 tpp180 -93.94 -145.65 0.24 Allowed 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.559 -177.48 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.791 HD22 ' H ' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -116.11 149.24 39.31 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -174.536 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 1.085 HG23 HD21 ' A' ' 21' ' ' LEU . 9.0 mt -135.72 118.29 22.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 171.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.598 ' HB ' ' HD1' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -91.23 87.4 6.49 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.173 0.511 . . . . 0.0 110.637 -177.452 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.445 ' HA ' ' HD2' ' A' ' 107' ' ' ARG . 0.0 OUTLIER -95.27 81.55 3.64 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.532 179.136 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.1 mt -125.36 102.88 7.63 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.145 0.498 . . . . 0.0 110.812 -178.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 . . . . . 0 C--N 1.321 -0.646 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.846 178.047 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.585 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.414 0 CA-C-O 120.812 0.339 . . . . 0.0 110.202 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.55 ' HB2' HG12 ' A' ' 15' ' ' ILE . 46.2 t -87.55 143.64 27.1 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.431 178.753 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -104.86 3.49 31.06 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.65 175.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.781 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -94.39 -40.99 4.34 Favored Glycine 0 N--CA 1.445 -0.759 0 CA-C-N 115.636 -0.711 . . . . 0.0 113.009 -176.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.453 ' SG ' ' N ' ' A' ' 12' ' ' GLY . 23.8 p -117.2 -88.26 0.6 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 117.05 0.425 . . . . 0.0 111.677 -177.642 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.453 ' N ' ' SG ' ' A' ' 11' ' ' CYS . . . -110.76 -113.22 3.43 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.872 -0.68 . . . . 0.0 113.364 -174.508 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.49 ' HA2' ' NH2' ' A' ' 7' ' ' ARG . . . -116.78 -119.9 3.11 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.677 -0.773 . . . . 0.0 113.125 -175.184 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 7' ' ' ARG . 4.0 mttt -62.27 138.38 58.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.088 0.471 . . . . 0.0 111.406 -177.568 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.55 HG12 ' HB2' ' A' ' 8' ' ' CYS . 38.8 mt -86.69 104.48 14.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.356 -179.708 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.89 -6.65 59.34 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.772 177.2 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.35 150.65 47.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.962 177.522 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.46 -19.03 24.34 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.997 0.427 . . . . 0.0 110.076 177.736 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -114.36 115.55 27.52 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.702 176.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.52 177.58 8.94 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.549 -177.117 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.726 HD23 HD23 ' A' ' 33' ' ' LEU . 4.7 tp -132.4 156.72 46.17 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 -178.147 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.668 ' HD2' ' CD1' ' A' ' 27' ' ' TYR . 1.8 m-85 -123.0 130.48 52.85 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 178.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.583 ' HA ' ' O ' ' A' ' 104' ' ' LEU . . . -153.25 137.93 16.95 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.614 -0.435 . . . . 0.0 112.063 -176.324 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.5 ' HA ' HD22 ' A' ' 104' ' ' LEU . 4.8 mpp? 57.72 38.6 27.54 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.421 175.373 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 65.48 13.14 8.68 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.668 178.818 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.3 162.3 21.75 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 171.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.668 ' CD1' ' HD2' ' A' ' 22' ' ' TYR . 6.9 m-85 -105.12 151.31 24.18 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 120.442 -0.503 . . . . 0.0 109.66 178.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 62.0 m95 -143.72 179.28 7.24 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.362 -170.34 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.606 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 12.6 m80 -100.69 163.8 12.17 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 166.086 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.13 -34.46 78.44 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.516 0.675 . . . . 0.0 109.725 175.327 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -86.33 -16.95 35.84 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.41 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.781 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 99.9 m -93.86 -30.8 14.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.442 -178.186 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.726 HD23 HD23 ' A' ' 21' ' ' LEU . 38.6 tp -82.16 87.63 6.51 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 174.12 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.792 ' HB2' ' HA ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -127.45 154.13 45.44 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.496 -174.273 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.736 ' HB3' ' H ' ' A' ' 39' ' ' GLN . 13.1 t -66.83 152.59 45.3 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 175.425 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.4 m -77.02 -15.03 59.75 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.142 0.496 . . . . 0.0 110.011 176.128 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -111.73 -37.29 5.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.322 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.56 ' CB ' ' HB2' ' A' ' 41' ' ' GLN . 34.5 m -103.65 -41.23 6.01 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 -173.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.792 ' HA ' ' HB2' ' A' ' 34' ' ' LYS . 5.9 mp0 75.0 -37.39 0.35 Allowed 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.28 0.632 . . . . 0.0 111.846 -175.26 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.24 -26.58 13.87 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 121.947 -0.47 . . . . 0.0 111.888 -176.483 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.836 ' HG3' HG12 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -63.81 -25.17 68.05 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -172.817 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.632 HD12 ' HG ' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -60.39 -30.97 69.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.854 0.359 . . . . 0.0 111.533 -177.02 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -128.6 36.78 2.38 Favored Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 120.467 -0.873 . . . . 0.0 111.982 178.333 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -122.15 -62.99 1.33 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.824 0.345 . . . . 0.0 111.185 -178.292 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.836 HG12 ' HG3' ' A' ' 41' ' ' GLN . 1.2 pt -81.87 41.08 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.611 -177.706 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 87.22 134.4 4.15 Favored Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 110.489 -1.044 . . . . 0.0 110.489 -174.4 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.91 103.92 8.15 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.38 0.61 . . . . 0.0 110.548 -174.138 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.401 ' HB2' ' HG3' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -160.05 114.4 2.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.458 -178.523 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.3 p -107.84 170.53 7.93 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 110.232 -0.285 . . . . 0.0 110.232 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.473 ' CZ ' ' HG3' ' A' ' 102' ' ' GLU . 2.7 m-85 -138.77 118.77 13.36 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.732 0.301 . . . . 0.0 110.862 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.17 102.57 14.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.808 -176.714 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.9 ' HE2' HD12 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -157.47 142.51 16.87 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 173.829 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 m 65.9 4.69 3.08 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 67.34 15.31 65.58 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.831 -0.699 . . . . 0.0 111.671 -176.381 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.8 117.18 31.45 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 121.023 0.439 . . . . 0.0 110.034 -176.381 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 24.2 mt -69.07 113.47 4.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.887 -175.005 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.9 HD12 ' HE2' ' A' ' 52' ' ' LYS . 35.6 mt -118.92 162.17 18.96 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.021 177.841 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.573 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 9.3 p -85.71 173.97 9.71 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.389 172.506 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.401 ' HG3' ' HB2' ' A' ' 48' ' ' SER . 0.2 OUTLIER -65.77 -28.44 69.02 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.702 178.175 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -82.43 -38.41 24.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.287 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.61 ' HA ' ' HB2' ' A' ' 64' ' ' ARG . 10.7 m-20 -69.8 -27.75 65.16 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-O 120.918 0.389 . . . . 0.0 110.586 -178.778 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.668 ' HE1' ' HG2' ' A' ' 52' ' ' LYS . 56.2 t80 -60.21 -47.07 87.5 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.033 174.618 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.486 ' HA ' ' HA3' ' A' ' 67' ' ' GLY . 6.8 mt -71.6 -26.35 26.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.991 0.424 . . . . 0.0 110.685 177.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.61 ' HB2' ' HA ' ' A' ' 61' ' ' ASP . 0.4 OUTLIER -63.47 -47.83 80.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.23 178.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.5 mt -105.2 -42.5 5.26 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -174.566 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -95.11 -19.2 20.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.743 0.306 . . . . 0.0 111.392 -175.596 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.486 ' HA3' ' HA ' ' A' ' 63' ' ' ILE . . . . . . . . 0 N--CA 1.45 -0.384 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.743 -176.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.473 ' HG3' ' CZ ' ' A' ' 50' ' ' TYR . 5.2 mt-10 . . . . . 0 C--O 1.234 0.277 0 CA-C-O 120.6 0.238 . . . . 0.0 111.242 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.9 30.12 15.39 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.86 175.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.583 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 11.8 mt -87.04 -23.59 24.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.063 -178.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.417 ' HA ' ' O ' ' A' ' 22' ' ' TYR . 46.7 mt -93.06 119.9 41.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.386 0.612 . . . . 0.0 111.622 -176.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.432 ' O ' ' HD1' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -104.86 128.32 53.01 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 114.904 -1.043 . . . . 0.0 109.819 175.915 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.14 102.74 11.86 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 177.407 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.4 ' HB3' ' CE1' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -145.73 103.95 3.83 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.559 -178.346 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.2 mp0 . . . . . 0 C--N 1.32 -0.708 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.895 178.201 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.897 ' HG3' ' HG3' ' A' ' 14' ' ' LYS . 7.4 ttp180 . . . . . 0 N--CA 1.464 0.24 0 CA-C-O 121.09 0.471 . . . . 0.0 111.696 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.563 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 40.9 t -79.57 132.18 36.22 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.142 177.46 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -95.89 7.71 45.61 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.073 176.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 1.037 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -97.56 -38.37 4.23 Favored Glycine 0 N--CA 1.446 -0.642 0 CA-C-N 115.8 -0.637 . . . . 0.0 112.462 179.726 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.477 ' SG ' ' N ' ' A' ' 12' ' ' GLY . 22.2 p -122.11 -94.23 0.5 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.277 0.561 . . . . 0.0 110.68 177.444 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.477 ' N ' ' SG ' ' A' ' 11' ' ' CYS . . . 172.15 64.83 0.04 OUTLIER Glycine 0 N--CA 1.442 -0.944 0 N-CA-C 110.462 -1.055 . . . . 0.0 110.462 -179.246 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -156.09 120.14 0.97 Allowed Glycine 0 N--CA 1.437 -1.259 0 N-CA-C 111.354 -0.698 . . . . 0.0 111.354 -175.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.897 ' HG3' ' HG3' ' A' ' 7' ' ' ARG . 1.2 mtpt -63.82 95.51 0.11 Allowed 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.538 -0.331 . . . . 0.0 110.188 -178.781 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.507 ' HB ' HD23 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -66.18 105.39 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.754 -176.774 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.49 -8.25 45.1 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.337 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.09 154.48 34.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.715 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.66 5.38 28.33 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.535 179.508 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -122.79 88.88 3.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.786 179.424 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.507 HD23 ' HB ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -130.59 163.33 27.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.998 0.427 . . . . 0.0 110.937 -178.433 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.942 HD21 HG23 ' A' ' 105' ' ' ILE . 0.4 OUTLIER -102.35 146.49 27.97 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.043 175.279 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.515 ' HB2' ' HB ' ' A' ' 106' ' ' THR . 1.8 m-85 -116.38 122.23 44.23 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 -177.09 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.503 ' HB3' ' CD1' ' A' ' 28' ' ' TRP . . . -152.35 127.4 9.72 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.301 176.663 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.623 ' HG3' HD21 ' A' ' 104' ' ' LEU . 6.5 mtm 62.52 36.93 13.63 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.017 -178.761 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 62.93 10.8 4.6 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.679 -178.256 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -116.23 171.65 7.69 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 174.742 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.563 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 20.8 m-30 -107.9 156.6 19.0 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.96 0.41 . . . . 0.0 110.799 -177.8 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.503 ' CD1' ' HB3' ' A' ' 23' ' ' ALA . 59.9 m95 -141.36 163.17 33.66 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.117 -176.332 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.661 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 22.4 m80 -97.19 163.89 12.72 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 168.434 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.16 -42.62 96.66 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.896 0.379 . . . . 0.0 110.843 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.9 tpt85 -82.72 -14.29 54.84 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.029 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 1.037 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 69.0 m -85.46 -37.19 20.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.859 179.747 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.635 HD21 HG12 ' A' ' 105' ' ' ILE . 29.6 tp -82.14 68.93 8.75 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 171.526 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.44 ' HD3' ' O ' ' A' ' 32' ' ' CYS . 0.0 OUTLIER -119.75 165.57 14.36 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.668 -1.151 . . . . 0.0 110.802 -173.67 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.436 ' HB2' ' N ' ' A' ' 40' ' ' ALA . 1.0 OUTLIER -42.32 120.41 1.63 Allowed 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 113.314 -1.767 . . . . 0.0 110.748 174.78 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.34 -46.52 86.07 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -172.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.9 m -116.63 -20.01 9.75 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.969 0.414 . . . . 0.0 111.401 -174.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.24 -16.86 20.17 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.052 -172.324 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 65.5 mm-40 53.33 26.35 5.23 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 176.191 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.436 ' N ' ' HB2' ' A' ' 35' ' ' CYS . . . -83.26 -161.96 0.56 Allowed 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 169.637 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.843 ' HB3' ' HB2' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -101.74 118.48 37.02 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 177.238 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.607 HD12 ' HG ' ' A' ' 33' ' ' LEU . 10.7 mt -58.61 -60.74 3.33 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.02 0.438 . . . . 0.0 111.433 -176.758 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.73 40.69 3.04 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.893 -0.67 . . . . 0.0 113.165 -176.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.843 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . 28.2 t0 -108.63 -25.28 10.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.001 0.429 . . . . 0.0 110.985 178.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.502 HD13 ' HB2' ' A' ' 60' ' ' ASN . 0.9 OUTLIER -113.32 16.53 8.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.384 0.611 . . . . 0.0 109.977 178.171 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 126.96 124.74 2.75 Favored Glycine 0 N--CA 1.446 -0.688 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.765 -175.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.59 102.54 8.94 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 122.398 -0.472 . . . . 0.0 111.524 -173.533 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.432 ' HB3' ' HB2' ' A' ' 59' ' ' ARG . 0.4 OUTLIER -162.4 111.85 1.45 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.388 175.21 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.486 ' O ' ' HA ' ' A' ' 102' ' ' GLU . 1.2 p -104.37 139.87 38.72 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 178.529 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.702 ' HE2' ' HD3' ' A' ' 59' ' ' ARG . 2.2 m-85 -101.76 122.85 44.72 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.962 -177.722 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -97.3 104.49 16.51 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.92 179.08 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.417 ' O ' ' HG2' ' A' ' 55' ' ' MET . 0.1 OUTLIER -153.77 142.37 20.84 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.168 -179.855 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 66.1 m 65.47 21.64 11.84 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 123.547 0.529 . . . . 0.0 111.487 -179.161 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.01 8.77 79.07 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.852 -176.7 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.417 ' HG2' ' O ' ' A' ' 52' ' ' LYS . 2.8 ptp -120.81 168.1 11.8 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -179.507 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.561 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 5.4 mt -124.19 121.87 62.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.554 -178.437 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -113.24 -176.55 2.92 Favored 'General case' 0 CA--C 1.506 -0.714 0 CA-C-O 122.345 1.069 . . . . 0.0 111.179 177.83 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 1.083 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 0.1 OUTLIER -92.41 147.77 22.65 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-N 112.503 -2.135 . . . . 0.0 110.736 -179.006 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.702 ' HD3' ' HE2' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -64.29 -21.94 66.78 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.629 0.728 . . . . 0.0 109.65 173.886 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.502 ' HB2' HD13 ' A' ' 45' ' ' ILE . 19.2 t30 -84.01 -38.4 20.96 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.293 -0.867 . . . . 0.0 112.104 -179.246 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 1.083 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 66.3 m-20 -107.55 -15.24 14.65 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.335 -0.546 . . . . 0.0 112.011 -169.434 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -55.17 -31.21 61.18 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.025 0.441 . . . . 0.0 110.556 174.66 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.483 ' H ' HG12 ' A' ' 63' ' ' ILE . 0.9 OUTLIER -69.35 -15.85 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.561 -179.804 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.426 ' HD2' ' HB3' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -98.96 -2.83 36.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.236 0.541 . . . . 0.0 110.205 177.781 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -109.82 -50.89 2.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.733 178.684 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -129.62 34.21 4.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.292 -178.303 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.611 0 C-N-CA 120.342 -0.932 . . . . 0.0 112.576 -178.797 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.486 ' HA ' ' O ' ' A' ' 49' ' ' SER . 1.2 pt-20 . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 120.57 0.224 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.22 25.46 12.63 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.154 175.072 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.623 HD21 ' HG3' ' A' ' 24' ' ' MET . 1.5 tp -88.05 36.41 0.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.831 0.348 . . . . 0.0 111.295 -179.102 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.942 HG23 HD21 ' A' ' 21' ' ' LEU . 43.9 mt -118.03 102.65 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.108 0.48 . . . . 0.0 110.324 175.461 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.515 ' HB ' ' HB2' ' A' ' 22' ' ' TYR . 18.7 m -105.68 109.45 21.42 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 176.136 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.03 99.35 9.23 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.743 -173.574 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.09 101.05 7.73 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-O 121.387 0.613 . . . . 0.0 110.376 176.744 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 . . . . . 0 C--N 1.315 -0.896 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 172.575 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.506 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.531 0.205 . . . . 0.0 110.81 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.549 ' HB2' HG12 ' A' ' 15' ' ' ILE . 50.6 t -79.79 131.34 35.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.197 0.522 . . . . 0.0 111.648 -178.733 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -102.17 1.73 36.42 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.997 174.245 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.401 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -81.24 -54.58 3.5 Favored Glycine 0 N--CA 1.447 -0.609 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.074 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.0 p -103.88 -21.28 13.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.344 0.592 . . . . 0.0 110.249 177.036 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.48 56.38 2.27 Favored Glycine 0 N--CA 1.444 -0.773 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.258 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -147.92 -151.4 5.43 Favored Glycine 0 N--CA 1.434 -1.451 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.641 178.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.9 tttp -102.05 135.87 42.87 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 115.248 -0.476 . . . . 0.0 110.334 178.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.549 HG12 ' HB2' ' A' ' 8' ' ' CYS . 3.4 mt -87.79 89.0 2.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.218 0.532 . . . . 0.0 110.75 177.662 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -100.97 20.35 15.65 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.844 177.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.38 153.86 17.58 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.842 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.549 ' C ' ' HG3' ' A' ' 109' ' ' GLU . 16.7 ttp180 -84.77 11.46 9.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.845 0.355 . . . . 0.0 110.817 179.32 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.879 ' HA ' ' HB3' ' A' ' 109' ' ' GLU . 18.3 m-85 -140.64 110.91 6.65 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 123.054 0.542 . . . . 0.0 109.822 178.325 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.749 HD12 ' HG2' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -135.19 178.85 6.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.666 0.27 . . . . 0.0 111.399 -177.628 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.611 HD21 HG23 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -145.76 153.96 41.52 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.481 -179.362 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.662 ' HD1' ' CD1' ' A' ' 27' ' ' TYR . 1.9 m-85 -122.14 127.24 49.86 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 172.141 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -152.43 124.03 7.82 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.365 0.126 . . . . 0.0 111.117 -178.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.7 mtm 65.74 33.9 7.9 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.766 0.666 . . . . 0.0 110.769 -179.357 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 73.07 -15.11 0.55 Allowed 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.898 -178.802 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.66 145.73 26.03 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.427 -0.582 . . . . 0.0 109.427 174.797 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.662 ' CD1' ' HD1' ' A' ' 22' ' ' TYR . 5.4 m-85 -99.59 157.7 16.27 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 52.1 m95 -137.83 165.2 27.05 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.852 -172.453 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.584 ' HB2' ' HB2' ' A' ' 32' ' ' CYS . 0.9 OUTLIER -81.37 -143.33 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.496 0.665 . . . . 0.0 111.208 178.368 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.514 ' H ' ' HB3' ' A' ' 29' ' ' HIS . 0.9 OUTLIER -90.05 -59.17 2.26 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.26 177.468 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -101.92 9.84 40.24 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.458 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.584 ' HB2' ' HB2' ' A' ' 29' ' ' HIS . 8.3 m -79.75 -21.24 44.7 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.997 -0.281 . . . . 0.0 111.143 -177.812 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -93.24 79.76 4.47 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 170.54 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.61 168.01 18.44 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.92 -1.037 . . . . 0.0 110.435 -173.683 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.489 ' HB3' ' H ' ' A' ' 39' ' ' GLN . 44.7 t -59.73 160.78 6.98 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.769 179.152 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 54.3 m -84.48 -20.71 31.24 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.536 177.127 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.48 -47.08 3.02 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.629 -178.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 59.1 m -73.89 -37.71 64.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.875 0.369 . . . . 0.0 110.57 178.668 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.489 ' H ' ' HB3' ' A' ' 35' ' ' CYS . 1.1 mt-30 62.5 28.72 16.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.642 -176.793 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.59 146.93 26.53 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-N 115.221 -0.899 . . . . 0.0 108.708 172.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -59.89 127.54 32.41 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.195 -176.07 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.874 HD11 ' HA ' ' A' ' 58' ' ' CYS . 0.0 OUTLIER -74.33 -0.14 16.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.346 -178.406 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -106.18 3.67 37.99 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 121.204 -0.522 . . . . 0.0 112.356 179.264 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -98.1 -47.01 5.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.03 0.443 . . . . 0.0 110.504 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.1 pt -85.36 57.63 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.438 0.637 . . . . 0.0 110.061 176.486 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 89.19 -159.82 29.03 Favored Glycine 0 N--CA 1.447 -0.603 0 N-CA-C 110.145 -1.182 . . . . 0.0 110.145 -171.159 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.615 HG22 HG21 ' A' ' 105' ' ' ILE . 0.1 OUTLIER -142.52 102.41 4.06 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 117.884 0.842 . . . . 0.0 111.437 175.759 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.463 ' HB3' ' O ' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -162.78 117.32 1.75 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.835 176.158 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.488 ' O ' ' HG3' ' A' ' 102' ' ' GLU . 0.1 OUTLIER -100.99 112.38 24.81 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 175.384 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.719 ' CD1' ' HB2' ' A' ' 102' ' ' GLU . 15.1 m-85 -80.7 161.61 24.53 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.003 -176.142 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.2 108.82 9.98 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.661 178.12 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.585 ' HG2' ' HE1' ' A' ' 62' ' ' TYR . 0.9 OUTLIER -152.69 123.37 7.33 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.9 m 66.24 17.05 10.64 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.211 0.319 . . . . 0.0 110.953 -177.279 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.85 13.55 82.32 Favored Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -173.476 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.16 158.04 17.78 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.178 -0.511 . . . . 0.0 110.369 -177.62 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.1 mt -115.8 125.25 72.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.037 176.424 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.442 ' HB3' ' HB3' ' A' ' 61' ' ' ASP . 1.0 OUTLIER -131.97 168.49 17.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.807 -175.467 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.874 ' HA ' HD11 ' A' ' 42' ' ' LEU . 30.7 p -79.91 -174.65 4.52 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 174.739 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.716 ' HA ' ' HE2' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -69.67 -51.16 37.11 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.616 -0.434 . . . . 0.0 109.945 176.656 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -55.36 -49.96 70.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.034 178.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.618 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 0.4 OUTLIER -62.56 -40.64 97.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.572 179.718 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.585 ' HE1' ' HG2' ' A' ' 52' ' ' LYS . 58.0 t80 -56.61 -49.53 74.69 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.764 0.316 . . . . 0.0 111.281 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.689 HG12 ' O ' ' A' ' 59' ' ' ARG . 1.9 mm -71.45 -36.95 62.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.012 -178.215 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.4 mtp85 -72.06 -45.37 61.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.39 -178.098 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.492 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 0.2 OUTLIER -69.3 -57.42 5.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.657 -175.929 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -117.37 -41.46 2.97 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.581 -0.447 . . . . 0.0 111.671 -173.586 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.252 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.449 -177.653 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.719 ' HB2' ' CD1' ' A' ' 50' ' ' TYR . 2.1 mm-40 . . . . . 0 N--CA 1.451 -0.413 0 CA-C-O 121.047 0.451 . . . . 0.0 111.773 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.04 23.42 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.346 178.275 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 8.4 mt -79.71 41.69 0.5 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.716 -176.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.615 HG21 HG22 ' A' ' 47' ' ' THR . 1.8 mt -106.78 107.45 22.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.225 0.536 . . . . 0.0 110.707 177.304 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.548 ' HB ' ' HD2' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -100.65 100.38 11.08 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.493 -0.776 . . . . 0.0 108.971 174.961 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.489 ' NH2' ' HB3' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -125.29 107.15 10.42 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -172.51 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.87 98.25 3.09 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.221 168.239 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.879 ' HB3' ' HA ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.647 0 CA-C-O 120.921 0.391 . . . . 0.0 110.508 176.082 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.462 ' HE ' ' HB2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.734 0.302 . . . . 0.0 110.315 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.535 ' HB2' HG12 ' A' ' 15' ' ' ILE . 54.1 t -82.36 128.6 34.39 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.365 177.486 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -92.78 0.09 57.35 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.242 177.191 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.761 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -81.44 -61.25 2.11 Favored Glycine 0 N--CA 1.446 -0.633 0 CA-C-N 115.802 -0.635 . . . . 0.0 112.832 -177.719 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.0 p -84.91 -81.93 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.925 0.393 . . . . 0.0 110.053 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.2 48.81 0.01 OUTLIER Glycine 0 N--CA 1.443 -0.89 0 C-N-CA 120.583 -0.818 . . . . 0.0 113.034 176.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -158.7 -147.16 4.76 Favored Glycine 0 N--CA 1.434 -1.46 0 C-N-CA 120.565 -0.826 . . . . 0.0 111.488 176.491 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.53 150.67 22.43 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 115.41 -0.395 . . . . 0.0 110.217 178.072 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.535 HG12 ' HB2' ' A' ' 8' ' ' CYS . 1.4 mt -85.85 89.69 2.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.451 0.643 . . . . 0.0 110.22 179.464 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -100.28 12.42 37.13 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.535 -177.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.26 159.48 15.09 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.37 -179.447 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.4 -8.36 55.13 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.753 -179.253 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -115.7 115.8 26.98 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 176.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.403 ' HG ' ' N ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -145.99 173.37 12.22 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.732 -176.317 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.498 HD22 ' HG ' ' A' ' 33' ' ' LEU . 0.3 OUTLIER -135.46 144.72 46.57 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.445 179.132 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.511 ' HD2' ' CE1' ' A' ' 27' ' ' TYR . 9.8 m-85 -114.73 121.05 42.15 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 175.524 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -152.28 133.1 14.08 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.726 -176.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.2 mtm 61.31 36.49 17.63 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.016 178.494 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 65.84 4.9 3.14 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.226 -178.467 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.73 152.33 26.7 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 176.402 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.517 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 6.7 m-30 -105.48 147.01 28.77 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -177.816 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.493 ' HA ' ' SG ' ' A' ' 8' ' ' CYS . 16.9 m95 -143.54 175.45 9.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.932 -171.103 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.726 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 29.9 m80 -97.8 171.22 8.44 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 168.266 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.15 -44.1 97.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.892 0.377 . . . . 0.0 110.678 177.482 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -90.71 10.4 26.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.277 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.761 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 94.9 m -108.16 -32.89 7.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.708 -0.224 . . . . 0.0 111.234 178.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.498 ' HG ' HD22 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -79.98 83.54 5.87 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 174.408 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.504 ' HB3' ' HA ' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -148.85 178.66 8.48 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.98 -173.466 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 7.8 t -59.64 131.0 49.59 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.346 175.264 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.13 7.67 18.08 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.153 0.502 . . . . 0.0 110.172 176.047 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.83 -61.62 1.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.478 -176.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.422 ' SG ' ' HB2' ' A' ' 40' ' ' ALA . 14.5 p -106.76 -1.63 22.4 Favored 'General case' 0 C--O 1.231 0.129 0 C-N-CA 120.944 -0.303 . . . . 0.0 111.412 -177.674 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 69.72 21.23 6.6 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.131 178.745 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.422 ' HB2' ' SG ' ' A' ' 38' ' ' CYS . . . -61.19 117.9 6.16 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.138 0.494 . . . . 0.0 110.19 174.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.504 ' HA ' ' HB3' ' A' ' 34' ' ' LYS . 0.7 OUTLIER -64.46 102.46 0.55 Allowed 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 114.592 -1.186 . . . . 0.0 110.241 -176.716 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.483 HD11 ' O ' ' A' ' 57' ' ' LEU . 8.0 mt -74.66 -2.36 25.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.368 -172.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -112.75 6.67 25.95 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.814 -0.708 . . . . 0.0 111.633 177.256 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -109.32 -54.97 2.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.763 0.316 . . . . 0.0 111.078 -178.278 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -85.72 53.69 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.135 0.493 . . . . 0.0 110.481 179.137 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.86 113.99 2.43 Favored Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -175.669 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.21 105.06 8.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.21 0.529 . . . . 0.0 110.835 -173.805 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.572 ' N ' HD12 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -159.76 129.94 5.56 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.25 -0.887 . . . . 0.0 109.89 179.815 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.442 ' N ' HG13 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -94.04 127.08 39.64 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 -179.436 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.461 ' HE2' ' HA ' ' A' ' 59' ' ' ARG . 4.6 m-30 -95.48 138.44 33.16 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 179.448 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.837 ' HB ' ' HD3' ' A' ' 103' ' ' ARG . 28.2 m -136.18 105.25 5.94 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.449 -0.796 . . . . 0.0 112.46 -167.013 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.406 ' HD3' ' CG ' ' A' ' 66' ' ' PHE . 0.6 OUTLIER -155.34 126.96 7.39 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 172.235 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 34.0 m 67.1 20.38 10.33 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.259 -170.617 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 14.68 61.3 Favored Glycine 0 C--N 1.333 0.408 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 -173.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 13.3 ttm -101.92 149.18 24.48 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.526 -0.337 . . . . 0.0 110.433 -176.107 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.459 HD13 HD22 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -107.83 126.91 64.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.656 179.667 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.545 HD11 ' HE2' ' A' ' 66' ' ' PHE . 0.3 OUTLIER -140.22 172.56 12.57 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.789 -179.324 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.657 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 26.5 p -84.48 175.7 9.13 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 172.327 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.463 ' HA ' ' HD2' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -66.91 -30.23 70.33 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.665 0.269 . . . . 0.0 110.814 179.509 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -76.59 -46.9 24.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.757 179.029 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.657 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 0.8 OUTLIER -68.84 -27.4 65.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.758 179.826 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.476 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 8.3 t80 -55.3 -52.32 63.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.648 176.786 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.498 ' O ' ' HA3' ' A' ' 67' ' ' GLY . 0.4 OUTLIER -79.24 -11.05 12.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.181 -178.696 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.57 -39.81 19.9 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.046 0.45 . . . . 0.0 110.167 177.104 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' A' ' 65' ' ' LEU . 0.1 OUTLIER -84.64 -41.4 16.38 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.654 -177.375 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.545 ' HE2' HD11 ' A' ' 57' ' ' LEU . 82.3 m-85 -119.31 7.51 11.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.806 -173.346 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.498 ' HA3' ' O ' ' A' ' 63' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.255 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.388 -179.467 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 . . . . . 0 N--CA 1.454 -0.226 0 CA-C-O 121.077 0.465 . . . . 0.0 111.347 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.837 ' HD3' ' HB ' ' A' ' 51' ' ' THR . 0.2 OUTLIER -118.66 -112.07 0.34 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.685 -179.477 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.665 ' H ' HD23 ' A' ' 104' ' ' LEU . 2.6 pt? -116.91 106.47 13.47 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -173.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.572 HD12 ' N ' ' A' ' 48' ' ' SER . 0.3 OUTLIER -110.42 131.05 62.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 O-C-N 121.921 -0.487 . . . . 0.0 109.83 171.717 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.412 ' HB ' ' HB2' ' A' ' 22' ' ' TYR . 8.7 m -125.45 111.23 14.86 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.671 -0.862 . . . . 0.0 108.671 176.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 107' ' ' ARG . 0.0 OUTLIER -120.09 138.15 53.72 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 121.912 -0.493 . . . . 0.0 111.06 -172.196 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -142.61 133.17 25.14 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 175.212 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.317 -0.826 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.846 -174.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.455 ' NH2' ' HA2' ' A' ' 12' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.2 0 CA-C-O 120.324 0.107 . . . . 0.0 110.787 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.431 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 53.3 t -75.17 121.63 22.4 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 175.391 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.64 -4.22 58.89 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.364 178.608 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.997 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -78.64 -47.22 8.08 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.261 178.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.1 p -107.35 -101.19 0.36 Allowed 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.239 176.523 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.455 ' HA2' ' NH2' ' A' ' 7' ' ' ARG . . . -174.87 29.53 0.08 OUTLIER Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.784 178.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -143.47 -148.87 4.99 Favored Glycine 0 N--CA 1.436 -1.365 0 C-N-CA 120.304 -0.95 . . . . 0.0 111.808 178.149 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.2 mtpp -100.8 163.24 12.41 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 175.672 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.574 HG23 ' CD2' ' A' ' 29' ' ' HIS . 3.4 mt -96.63 111.98 27.8 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-O 121.041 0.448 . . . . 0.0 111.668 -174.752 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.39 -16.75 47.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.439 178.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.77 142.64 57.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.171 177.805 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -74.76 -38.24 62.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.967 177.502 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -97.55 92.04 5.73 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.499 178.022 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.59 -173.2 2.34 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.482 -176.778 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.518 HD21 ' HA ' ' A' ' 105' ' ' ILE . 0.2 OUTLIER -146.58 144.56 29.65 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.012 -178.297 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.647 ' O ' ' HB ' ' A' ' 106' ' ' THR . 2.3 m-85 -107.64 118.29 36.33 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 175.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.683 ' HB3' ' CD1' ' A' ' 28' ' ' TRP . . . -152.08 134.22 15.07 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.277 -0.569 . . . . 0.0 111.19 176.552 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.7 mtm 63.8 32.31 13.58 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.035 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 65.72 16.57 10.55 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.869 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.37 -177.86 4.59 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.473 -0.785 . . . . 0.0 108.934 176.044 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.554 ' HB3' ' CD1' ' A' ' 15' ' ' ILE . 13.4 m-30 -107.98 161.31 15.06 Favored 'General case' 0 C--N 1.311 -1.071 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.665 -177.772 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.683 ' CD1' ' HB3' ' A' ' 23' ' ' ALA . 81.0 m95 -142.71 132.36 23.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.442 -179.713 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.651 ' HB2' ' HB2' ' A' ' 32' ' ' CYS . 2.6 m80 -74.32 177.47 5.85 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.22 178.623 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.0 m -66.69 -40.63 88.62 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.555 175.28 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.536 ' HA ' ' OE1' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -96.86 -14.24 21.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.398 179.876 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.997 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 58.3 m -79.34 -36.89 38.72 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 121.177 -0.209 . . . . 0.0 110.643 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.651 ' HB2' ' HB3' ' A' ' 28' ' ' TRP . 8.1 tp -81.59 83.66 6.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.558 0.694 . . . . 0.0 109.587 172.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.14 156.26 48.61 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.382 -179.406 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 15.9 t -60.09 136.42 58.01 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.942 177.27 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 m -83.27 -0.77 51.07 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 175.438 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.56 -54.76 2.51 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.733 -177.34 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.417 ' SG ' ' HB2' ' A' ' 40' ' ' ALA . 17.3 p -113.74 -1.2 14.02 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.418 -0.513 . . . . 0.0 111.776 -177.11 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 73.9 mm-40 67.06 21.04 10.29 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.369 0.667 . . . . 0.0 112.035 178.729 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.417 ' HB2' ' SG ' ' A' ' 38' ' ' CYS . . . -58.17 126.46 27.61 Favored 'General case' 0 N--CA 1.446 -0.675 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 175.59 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.536 ' OE1' ' HA ' ' A' ' 31' ' ' ARG . 1.5 tp-100 -72.07 74.73 0.93 Allowed 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 114.909 -1.042 . . . . 0.0 110.863 -175.467 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.531 HD21 ' HA ' ' A' ' 58' ' ' CYS . 96.3 mt -51.83 -43.34 63.13 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.535 -1.211 . . . . 0.0 112.309 -176.209 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -94.15 44.18 2.34 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.987 -179.247 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -156.29 -52.31 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.798 0.299 . . . . 0.0 111.703 178.63 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 pt -90.05 50.72 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-O 121.364 0.602 . . . . 0.0 111.199 -178.167 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 115.82 -158.13 14.6 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 -177.038 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.72 HG22 HG21 ' A' ' 105' ' ' ILE . 0.7 OUTLIER -136.32 103.92 5.45 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 117.339 0.57 . . . . 0.0 111.196 177.336 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.602 ' HB3' ' HG2' ' A' ' 102' ' ' GLU . 0.8 OUTLIER -160.27 150.78 18.52 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.6 177.816 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.594 ' OG ' HG13 ' A' ' 105' ' ' ILE . 17.1 p -174.99 151.7 1.38 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.86 0.362 . . . . 0.0 110.424 176.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -141.93 148.39 38.59 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.276 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.4 m -137.86 111.01 7.83 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.079 0.466 . . . . 0.0 111.019 -179.475 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.491 ' O ' ' HG2' ' A' ' 55' ' ' MET . 5.2 mttt -155.11 151.56 28.45 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 177.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.422 ' HB2' ' O ' ' A' ' 52' ' ' LYS . 10.0 m 67.15 12.44 8.95 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.356 0.41 . . . . 0.0 111.534 -177.435 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 81.83 3.1 90.69 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.095 -177.688 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.491 ' HG2' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -114.94 165.36 12.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.395 0.617 . . . . 0.0 110.425 177.573 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.1 mp -112.12 135.91 49.96 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.624 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.598 HD11 ' HE2' ' A' ' 66' ' ' PHE . 0.7 OUTLIER -128.65 168.98 15.0 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.249 -175.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.811 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 7.6 p -87.55 -174.22 4.7 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.141 172.384 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.509 ' O ' HG12 ' A' ' 63' ' ' ILE . 0.1 OUTLIER -68.09 -43.57 78.2 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 173.858 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -66.83 -47.91 70.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.578 -179.404 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.811 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 1.4 m-20 -69.07 -28.89 66.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.405 -175.176 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.589 ' HD2' HD13 ' A' ' 63' ' ' ILE . 77.3 t80 -62.48 -53.2 58.39 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.939 178.544 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.589 HD13 ' HD2' ' A' ' 62' ' ' TYR . 0.2 OUTLIER -67.28 -29.07 44.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.96 0.41 . . . . 0.0 110.444 -177.577 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -70.81 -45.46 64.58 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.745 177.266 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.14 -60.96 1.99 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.736 -177.061 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.598 ' HE2' HD11 ' A' ' 57' ' ' LEU . 22.6 m-85 -108.84 -41.04 4.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.613 -173.691 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.573 0 C-N-CA 120.264 -0.969 . . . . 0.0 112.521 179.407 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.602 ' HG2' ' HB3' ' A' ' 48' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.227 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.38 23.73 0.16 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.141 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.481 ' HB3' ' OG ' ' A' ' 49' ' ' SER . 0.4 OUTLIER -112.48 -36.6 5.2 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 -177.342 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.72 HG21 HG22 ' A' ' 47' ' ' THR . 2.0 mt -70.52 119.61 16.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.353 0.597 . . . . 0.0 111.17 -178.408 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.647 ' HB ' ' O ' ' A' ' 22' ' ' TYR . 47.6 m -111.14 90.06 3.23 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 173.373 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.46 118.84 17.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.145 -172.439 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -144.88 124.92 13.56 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.946 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.319 -0.725 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 177.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.796 0 N-CA-C 111.941 -0.464 . . . . 0.0 111.941 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.45 -31.76 72.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.017 0.437 . . . . 0.0 109.897 175.389 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -131.02 -167.11 1.79 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.458 172.461 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.48 155.9 31.4 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 177.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.518 ' HH2' ' HB2' ' A' ' 117' ' ' ASN . 0.7 OUTLIER -66.24 144.73 56.43 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.113 0.482 . . . . 0.0 111.085 -179.489 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.755 ' HB2' ' HA ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -116.39 2.92 13.25 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.307 -176.823 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.64 154.29 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.884 0 O-C-N 124.6 1.187 . . . . 0.0 113.495 174.116 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.661 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 37.1 t -78.99 117.55 20.16 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.865 173.47 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.32 0.17 42.88 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.155 176.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.768 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -85.53 -47.68 5.04 Favored Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.566 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.9 p -116.61 -121.39 0.3 Allowed 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.84 -178.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -75.3 -63.54 2.48 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 121.308 -0.472 . . . . 0.0 113.371 -174.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 171.62 -76.43 0.1 OUTLIER Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.812 -178.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.86 127.17 31.49 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.89 0.376 . . . . 0.0 110.82 -178.105 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.493 HD11 ' HB2' ' A' ' 8' ' ' CYS . 4.3 mt -100.41 94.05 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.519 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.97 25.45 4.75 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.339 0.59 . . . . 0.0 109.971 177.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.564 ' HB2' ' HE2' ' A' ' 29' ' ' HIS . 0.9 OUTLIER -101.19 169.19 9.08 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.833 -178.182 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.838 ' HG2' ' HA ' ' A' ' 110' ' ' ASN . 0.3 OUTLIER -87.2 -29.58 21.64 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.895 176.239 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.549 ' CD1' ' HB3' ' A' ' 109' ' ' GLU . 7.6 m-30 -93.93 93.71 8.06 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.957 -177.015 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -119.38 153.18 35.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.977 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.792 HD21 HG23 ' A' ' 105' ' ' ILE . 0.4 OUTLIER -137.18 151.32 48.66 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.407 -0.815 . . . . 0.0 108.954 177.692 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.611 ' CD2' ' HE1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -109.06 127.38 54.07 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 176.07 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.568 ' HB3' ' CD1' ' A' ' 28' ' ' TRP . . . -153.62 140.4 19.06 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.866 174.029 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 27.1 mtp 64.64 25.52 13.11 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.556 0.535 . . . . 0.0 111.395 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.472 ' O ' ' HD2' ' A' ' 6' ' ' LYS . 1.0 OUTLIER 69.12 12.08 8.43 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 121.08 0.467 . . . . 0.0 110.85 -176.69 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.755 ' HA ' ' HB2' ' A' ' 6' ' ' LYS . 0.5 OUTLIER -117.5 -176.81 3.09 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 174.136 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.661 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 18.2 m-30 -110.72 160.73 16.45 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 175.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.568 ' CD1' ' HB3' ' A' ' 23' ' ' ALA . 73.8 m95 -147.54 167.49 24.36 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.727 ' H ' ' HB2' ' A' ' 32' ' ' CYS . 18.1 m80 -100.13 166.26 11.1 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 169.427 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.17 -43.75 78.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.614 0.245 . . . . 0.0 111.56 -177.382 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.9 mtp180 -100.49 -1.64 35.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.475 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.768 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 7.8 m -80.65 -44.29 19.07 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 174.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.545 ' HA ' ' CE3' ' A' ' 28' ' ' TRP . 22.0 tp -60.5 -72.98 0.1 Allowed 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.557 177.217 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.31 166.66 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 122.631 1.205 . . . . 0.0 113.633 171.404 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.5 ' HB2' ' N ' ' A' ' 39' ' ' GLN . 1.7 m -75.22 -172.26 1.66 Allowed 'General case' 0 N--CA 1.437 -1.101 0 CA-C-N 113.269 -1.787 . . . . 0.0 111.745 -175.659 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.2 m -99.4 -55.0 2.8 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.83 170.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 m -101.82 -49.32 4.01 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -177.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.77 -35.81 79.36 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -175.568 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.5 ' N ' ' HB2' ' A' ' 35' ' ' CYS . 4.4 mm-40 61.45 45.98 7.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.538 -175.197 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.07 -161.31 0.86 Allowed 'General case' 0 N--CA 1.442 -0.838 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.526 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -101.09 99.97 10.48 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.237 178.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.501 HD23 HD11 ' A' ' 105' ' ' ILE . 0.9 OUTLIER -54.82 -35.97 64.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.686 -178.045 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -82.78 1.05 89.02 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.804 -0.712 . . . . 0.0 113.58 -178.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -107.26 -19.48 13.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 117.263 0.531 . . . . 0.0 111.423 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 pt -84.55 -0.8 6.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.174 0.512 . . . . 0.0 110.792 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.729 ' HA3' ' HA ' ' A' ' 83' ' ' ASP . . . 121.71 178.74 15.84 Favored Glycine 0 N--CA 1.443 -0.844 0 N-CA-C 110.184 -1.167 . . . . 0.0 110.184 -174.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.29 99.09 11.38 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 117.965 0.882 . . . . 0.0 110.278 179.153 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 m -163.27 148.03 11.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.078 176.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.516 ' O ' ' HA ' ' A' ' 102' ' ' GLU . 0.1 OUTLIER -157.79 130.78 7.51 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.355 178.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -115.04 127.45 55.65 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 120.962 0.41 . . . . 0.0 110.4 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.0 m -116.84 109.27 16.87 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.702 -178.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -151.46 144.34 24.47 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.0 m 65.5 19.81 11.59 Favored 'General case' 0 N--CA 1.464 0.231 0 O-C-N 123.416 0.448 . . . . 0.0 110.92 -175.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.45 14.11 77.33 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.623 -175.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 52.8 mtm -104.28 165.2 11.21 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.864 0.364 . . . . 0.0 110.676 -178.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.529 HG21 HD11 ' A' ' 33' ' ' LEU . 3.0 mp -119.55 117.05 52.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.69 175.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.647 ' HB3' ' HB3' ' A' ' 61' ' ' ASP . 1.5 mp -124.89 150.39 46.56 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.454 -174.427 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 24.1 p -79.93 -173.54 3.95 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.021 171.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.524 ' O ' HG12 ' A' ' 63' ' ' ILE . 0.8 OUTLIER -67.3 -44.95 77.95 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.719 0.295 . . . . 0.0 110.93 177.564 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -66.64 -44.0 83.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.859 178.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.647 ' HB3' ' HB3' ' A' ' 57' ' ' LEU . 1.1 m-20 -56.34 -43.63 79.26 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.359 0.599 . . . . 0.0 110.079 177.502 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -60.18 -48.26 82.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.296 -178.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.524 HG12 ' O ' ' A' ' 59' ' ' ARG . 44.6 mm -62.3 -28.91 45.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.022 0.439 . . . . 0.0 111.097 -179.322 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 81.8 mtt180 -79.38 -38.28 35.35 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.321 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' A' ' 65' ' ' LEU . 0.3 OUTLIER -84.82 -60.5 2.03 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -177.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -119.9 39.98 3.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.995 0.426 . . . . 0.0 110.64 -176.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.409 ' HA3' ' O ' ' A' ' 63' ' ' ILE . . . -81.14 69.56 3.24 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.819 -177.146 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.89 137.13 56.97 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 176.021 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -63.68 97.72 0.16 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.074 0.464 . . . . 0.0 111.509 -175.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -118.33 44.09 1.48 Allowed Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 111.429 -0.669 . . . . 0.0 111.429 178.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -133.1 104.77 6.68 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.773 0.32 . . . . 0.0 110.393 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 139.48 -36.59 1.83 Allowed Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.835 -0.698 . . . . 0.0 111.621 -177.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -111.94 25.37 13.04 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 176.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -112.74 100.51 8.75 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.312 -0.444 . . . . 0.0 110.74 -175.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -77.91 -40.87 20.14 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.422 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -112.35 -124.34 4.33 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.997 -0.62 . . . . 0.0 111.806 176.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 55.84 44.6 25.71 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.11 0.481 . . . . 0.0 111.542 177.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.46 ' SD ' ' HG3' ' A' ' 93' ' ' MET . 0.0 OUTLIER -121.16 166.9 13.29 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.597 178.889 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 99.61 -26.29 24.96 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.426 -177.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.48 154.04 40.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.63 -0.285 . . . . 0.0 110.396 176.638 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 97.73 89.55 1.9 Allowed Glycine 0 N--CA 1.442 -0.915 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -175.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -86.84 3.89 86.68 Favored Glycine 0 CA--C 1.508 -0.349 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.729 ' HA ' ' HA3' ' A' ' 46' ' ' GLY . 3.4 p30 -67.61 168.05 11.87 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.788 -0.706 . . . . 0.0 111.225 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.565 ' HA ' ' HA3' ' A' ' 88' ' ' GLY . 1.0 OUTLIER -119.26 32.4 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.436 174.223 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -109.18 -40.97 4.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.786 -177.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.4 p -121.99 -34.7 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.876 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -108.3 7.39 9.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.765 0.317 . . . . 0.0 111.178 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.565 ' HA3' ' HA ' ' A' ' 84' ' ' VAL . . . -71.17 -43.33 56.3 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.624 -0.798 . . . . 0.0 111.767 178.026 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.12 139.76 34.43 Favored Pre-proline 0 C--N 1.32 -0.708 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 176.648 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -56.59 102.75 0.11 Allowed 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.705 2.27 . . . . 0.0 112.657 -177.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.41 -47.76 2.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.299 178.385 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.435 HD12 ' HG2' ' A' ' 96' ' ' GLU . 0.3 OUTLIER -156.45 96.41 1.66 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.328 176.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.46 ' HG3' ' SD ' ' A' ' 78' ' ' MET . 0.2 OUTLIER -88.71 46.03 1.35 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.144 178.712 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -99.48 2.35 57.45 Favored Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.275 -177.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 70.55 52.35 16.69 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.285 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.435 ' HG2' HD12 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -81.18 90.35 6.06 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.047 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 58.3 57.51 3.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.533 0.683 . . . . 0.0 110.511 -174.477 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -87.94 61.62 4.02 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.254 177.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -69.71 128.22 35.67 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.016 0.436 . . . . 0.0 111.458 -174.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.85 17.83 4.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.781 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -75.81 -4.73 42.26 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.543 178.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.516 ' HA ' ' O ' ' A' ' 49' ' ' SER . 0.6 OUTLIER -85.89 -139.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.378 -179.067 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.506 ' HD3' ' HA ' ' A' ' 103' ' ' ARG . 0.0 OUTLIER 59.26 46.2 13.14 Favored 'General case' 0 N--CA 1.462 0.13 0 C-N-CA 122.976 0.51 . . . . 0.0 111.565 178.442 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -111.53 -5.05 14.6 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.792 HG23 HD21 ' A' ' 21' ' ' LEU . 8.3 mt -92.66 124.79 45.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-O 121.435 0.636 . . . . 0.0 111.779 -177.184 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.566 HG22 ' CE2' ' A' ' 113' ' ' PHE . 0.2 OUTLIER -121.57 115.1 22.17 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.687 -1.142 . . . . 0.0 108.0 171.586 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.1 120.92 19.64 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -169.415 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.642 ' HB2' ' CD2' ' A' ' 113' ' ' PHE . 0.1 OUTLIER -146.42 101.73 3.51 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 164.016 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.549 ' HB3' ' CD1' ' A' ' 19' ' ' PHE . 40.8 mt-10 -88.13 81.28 7.42 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.558 0.694 . . . . 0.0 110.889 -172.322 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.888 ' HB3' ' HG2' ' A' ' 112' ' ' GLN . 31.0 t-20 177.29 -169.48 0.07 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.266 -1.334 . . . . 0.0 107.745 177.433 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.507 HG22 ' HB2' ' A' ' 116' ' ' ALA . 0.0 OUTLIER -74.04 12.2 0.75 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.081 0.467 . . . . 0.0 111.15 175.784 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.888 ' HG2' ' HB3' ' A' ' 110' ' ' ASN . 8.1 mm100 -71.63 -47.92 51.32 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.949 177.428 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.642 ' CD2' ' HB2' ' A' ' 108' ' ' LEU . 0.0 OUTLIER -101.25 -161.19 0.84 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.245 177.685 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -78.36 44.69 0.52 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -176.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -96.05 11.29 34.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.477 0.656 . . . . 0.0 109.533 174.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.507 ' HB2' HG22 ' A' ' 111' ' ' THR . . . -100.48 87.95 3.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.843 -178.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.518 ' HB2' ' HH2' ' A' ' 5' ' ' TRP . 11.7 t30 -78.58 -41.18 32.55 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 176.163 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -177.4 148.66 8.91 Favored Glycine 0 N--CA 1.442 -0.964 0 CA-C-N 114.814 -1.084 . . . . 0.0 111.268 177.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 13.9 mt -106.78 91.61 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -133.19 130.15 38.73 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.395 -177.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.59 179.94 7.01 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.157 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.747 -0.644 . . . . 0.0 110.777 -177.465 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.627 0 N-CA-C 111.748 -0.541 . . . . 0.0 111.748 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 m 60.35 84.93 0.12 Allowed 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.195 0.522 . . . . 0.0 111.119 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -84.41 -8.7 58.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.392 178.494 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.78 145.28 34.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.105 176.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.403 ' HZ3' ' HG2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -102.87 155.97 17.98 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.929 0.395 . . . . 0.0 111.195 -178.547 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.977 ' HA ' ' HD2' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -74.73 78.46 2.05 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.584 -177.013 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.511 ' NH2' ' HA2' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -123.11 134.6 54.22 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.593 175.598 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 17.8 t -86.21 132.18 34.06 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.993 -174.36 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.07 1.27 57.21 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.243 177.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.525 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -85.5 -58.81 2.0 Allowed Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 121.024 -0.608 . . . . 0.0 112.357 -179.339 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.9 p -95.24 -42.34 8.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.942 0.401 . . . . 0.0 110.46 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.511 ' HA2' ' NH2' ' A' ' 7' ' ' ARG . . . 122.27 11.39 5.69 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.37 -0.919 . . . . 0.0 113.827 174.011 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.35 -155.09 17.74 Favored Glycine 0 N--CA 1.434 -1.466 0 C-N-CA 120.143 -1.027 . . . . 0.0 111.934 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 7' ' ' ARG . 0.6 OUTLIER -102.27 151.64 21.99 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 114.977 -0.611 . . . . 0.0 109.767 176.318 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.778 ' HB ' ' HG2' ' A' ' 6' ' ' LYS . 1.5 mt -99.52 100.0 9.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.062 0.458 . . . . 0.0 110.833 179.46 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -97.22 -7.05 33.24 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.603 0.716 . . . . 0.0 109.546 177.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.15 146.04 53.79 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.834 -1.075 . . . . 0.0 110.557 179.489 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -68.35 -31.0 70.09 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.116 0.484 . . . . 0.0 110.621 -179.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.5 ' HA ' ' HB3' ' A' ' 109' ' ' GLU . 11.3 m-30 -104.37 128.44 52.21 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.778 -179.511 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.722 ' HG ' ' HE3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -156.07 175.59 13.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.777 0.322 . . . . 0.0 111.437 -178.616 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.758 HD21 HG23 ' A' ' 105' ' ' ILE . 0.3 OUTLIER -129.73 159.51 36.25 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.534 -178.679 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.46 ' HD2' ' CD1' ' A' ' 27' ' ' TYR . 4.3 m-85 -127.57 126.58 42.38 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 177.073 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -152.28 125.65 8.76 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.884 -0.327 . . . . 0.0 111.258 -178.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.436 ' HG2' HD21 ' A' ' 104' ' ' LEU . 0.1 OUTLIER 63.29 37.4 11.07 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.178 179.432 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.52 4.61 1.83 Allowed 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.195 -178.374 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -108.36 146.13 33.46 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 173.017 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.977 ' HD2' ' HA ' ' A' ' 6' ' ' LYS . 11.3 m-30 -93.37 156.13 16.97 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -178.161 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.466 ' CE3' HD23 ' A' ' 33' ' ' LEU . 67.9 m95 -141.57 162.61 35.06 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.21 -172.126 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.701 ' HB2' ' HB2' ' A' ' 32' ' ' CYS . 15.1 m80 -88.28 159.1 18.25 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 107.921 -1.141 . . . . 0.0 107.921 167.632 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.45 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 0.5 OUTLIER -60.66 -49.88 75.75 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.864 0.364 . . . . 0.0 110.492 179.424 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 ttp85 -76.72 -19.55 57.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.366 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.701 ' HB2' ' HB2' ' A' ' 29' ' ' HIS . 23.7 m -78.81 -27.81 44.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.742 179.368 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.466 HD23 ' CE3' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -82.32 72.03 9.38 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.657 0.742 . . . . 0.0 109.712 175.408 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.547 ' HG3' ' HA ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -119.33 167.91 11.44 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.213 -176.885 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.542 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 35.9 t -67.85 142.02 56.26 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.862 175.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.9 m -73.26 -10.67 60.01 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.098 0.475 . . . . 0.0 110.519 177.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.37 -46.77 3.05 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.188 -179.501 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.542 ' HB2' ' HB3' ' A' ' 35' ' ' CYS . 75.7 m -80.61 -33.17 36.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.394 -178.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.547 ' HA ' ' HG3' ' A' ' 34' ' ' LYS . 70.8 mm-40 64.74 20.44 12.13 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.183 -174.126 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -99.79 134.22 43.01 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.276 177.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.679 ' HB3' ' HB2' ' A' ' 44' ' ' ASP . 52.0 tt0 -53.23 123.7 12.54 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.784 -177.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.714 ' HB3' HD11 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -71.53 -29.63 64.99 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.35 -179.236 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.52 -0.65 87.69 Favored Glycine 0 CA--C 1.519 0.323 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.382 176.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.679 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . 22.8 t70 -87.06 -16.08 36.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.276 0.56 . . . . 0.0 110.246 179.279 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 11.8 pt -105.81 11.24 8.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.399 0.618 . . . . 0.0 110.413 178.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.35 -147.27 17.87 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 110.801 -0.92 . . . . 0.0 110.801 -176.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.17 100.79 10.37 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 117.149 0.475 . . . . 0.0 110.1 175.073 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.598 ' H ' HD12 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -162.71 140.74 8.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.524 178.936 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 31.3 p -175.34 147.51 0.88 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.877 0.37 . . . . 0.0 111.134 176.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.422 ' HE2' ' HD3' ' A' ' 59' ' ' ARG . 10.8 m-85 -116.31 141.84 47.63 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.428 173.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.467 HG23 HG13 ' A' ' 56' ' ' ILE . 6.9 m -137.2 102.22 4.76 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.133 0.492 . . . . 0.0 110.722 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.1 mmtm -141.74 136.21 30.54 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.368 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.7 m 70.92 13.3 7.05 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 123.345 0.403 . . . . 0.0 110.701 -174.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 78.7 -0.52 76.72 Favored Glycine 0 N--CA 1.45 -0.393 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -171.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.32 121.47 30.76 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.214 -0.493 . . . . 0.0 109.941 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.467 HG13 HG23 ' A' ' 51' ' ' THR . 3.2 mp -97.4 113.53 32.1 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.793 178.282 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.27 175.25 7.18 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.689 -177.213 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.748 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 12.3 p -81.91 177.05 9.07 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.569 174.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.422 ' HD3' ' HE2' ' A' ' 50' ' ' TYR . 0.4 OUTLIER -67.29 -37.93 84.22 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.307 0.575 . . . . 0.0 110.007 177.635 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.93 -44.71 65.57 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.209 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.748 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 3.4 m-20 -69.04 -29.15 67.24 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.744 0.275 . . . . 0.0 111.744 -175.296 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.454 ' HD2' HD13 ' A' ' 63' ' ' ILE . 66.6 t80 -61.83 -40.9 96.9 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.456 179.136 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.454 HD13 ' HD2' ' A' ' 62' ' ' TYR . 3.9 mm -73.39 -17.1 17.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.223 0.535 . . . . 0.0 110.79 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -88.91 -35.87 16.25 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.663 178.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' ' 65' ' ' LEU . 5.4 tp -91.42 -41.35 10.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.932 -176.123 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -108.56 -42.94 4.41 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.775 0.322 . . . . 0.0 110.445 -178.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 64.29 -124.18 29.26 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 121.107 -0.568 . . . . 0.0 112.514 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 72.9 -57.39 0.63 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.611 0.765 . . . . 0.0 111.783 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.537 ' HB3' ' HB3' ' A' ' 96' ' ' GLU . 4.1 m -115.68 122.7 46.33 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.852 0.358 . . . . 0.0 111.218 -177.255 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -118.96 -8.1 9.87 Favored Glycine 0 N--CA 1.45 -0.418 0 N-CA-C 111.647 -0.581 . . . . 0.0 111.647 178.217 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 62.2 81.62 0.19 Allowed 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.441 0.696 . . . . 0.0 111.415 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 97.71 -91.24 1.16 Allowed Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 -177.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -110.19 155.77 15.93 Favored Glycine 0 N--CA 1.444 -0.773 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 171.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.04 -53.09 2.49 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 117.14 0.47 . . . . 0.0 110.951 -178.03 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.91 -48.9 58.24 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.736 -178.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -78.5 -8.93 87.42 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.437 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -85.78 -7.92 58.45 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.493 0.187 . . . . 0.0 110.568 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.4 ttt 60.95 36.82 18.62 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.953 -177.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 102.65 -105.23 2.72 Favored Glycine 0 N--CA 1.445 -0.762 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.319 -174.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.88 -28.73 5.49 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.95 0.405 . . . . 0.0 110.503 177.324 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 104.53 10.1 34.14 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 111.467 -0.653 . . . . 0.0 111.467 -177.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 95.38 -163.45 24.01 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 111.535 -0.626 . . . . 0.0 111.535 -177.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.45 133.46 35.88 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.855 0.359 . . . . 0.0 110.06 178.362 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 6.3 m -71.62 -18.85 20.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.173 -175.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 3.3 ttm -73.6 -30.34 62.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.831 0.348 . . . . 0.0 110.74 -179.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -76.01 -27.06 17.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.919 0.39 . . . . 0.0 110.305 178.14 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 18.9 t -81.95 -49.93 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.348 178.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 124.58 162.24 11.33 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 -177.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 58.01 77.06 0.42 Allowed Pre-proline 0 CA--C 1.53 0.205 0 CA-C-O 121.077 0.465 . . . . 0.0 111.08 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -81.37 31.49 0.51 Allowed 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 123.235 2.623 . . . . 0.0 111.993 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.35 85.38 7.39 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.941 -178.631 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.663 HD22 ' HA2' ' A' ' 98' ' ' GLY . 1.2 mt -85.94 149.3 25.29 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.078 178.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.47 46.47 2.13 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.21 0.528 . . . . 0.0 109.656 -179.51 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 81.4 -129.29 8.94 Favored Glycine 0 N--CA 1.443 -0.879 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.501 -176.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 93.02 -173.53 34.76 Favored Glycine 0 N--CA 1.442 -0.962 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.73 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.537 ' HB3' ' HB3' ' A' ' 69' ' ' SER . 18.0 mt-10 -59.68 -42.14 92.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.981 0.42 . . . . 0.0 110.648 -179.579 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.51 ' HD1' ' HA ' ' A' ' 97' ' ' PHE . 0.0 OUTLIER -145.03 111.15 5.54 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.469 177.932 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.663 ' HA2' HD22 ' A' ' 92' ' ' LEU . . . -102.68 43.91 1.6 Allowed Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 177.132 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 68.42 28.55 6.05 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 123.259 0.624 . . . . 0.0 110.612 -178.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -59.26 -45.77 90.32 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.747 -177.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.8 9.11 44.12 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.999 0.428 . . . . 0.0 110.881 -177.12 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.7 -172.16 2.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.486 -178.087 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 103' ' ' ARG . 0.0 OUTLIER 60.28 44.49 12.46 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.385 179.045 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.436 HD21 ' HG2' ' A' ' 24' ' ' MET . 0.1 OUTLIER -88.34 -16.27 33.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.793 -178.284 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.758 HG23 HD21 ' A' ' 21' ' ' LEU . 11.3 mt -72.04 122.01 23.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.109 0.48 . . . . 0.0 111.074 -179.377 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 97.9 m -118.69 103.74 9.96 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 172.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.42 ' O ' ' HD3' ' A' ' 107' ' ' ARG . 0.0 OUTLIER -119.71 120.92 38.01 Favored 'General case' 0 C--N 1.319 -0.759 0 O-C-N 121.527 -0.733 . . . . 0.0 111.308 -174.042 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.502 HD13 ' HA ' ' A' ' 108' ' ' LEU . 0.1 OUTLIER -145.77 101.28 3.53 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.148 174.337 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.735 ' HB2' ' HB2' ' A' ' 112' ' ' GLN . 2.0 mp0 -88.21 154.94 20.03 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.148 -178.029 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -61.02 112.03 1.92 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.872 -176.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 58.27 43.89 19.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.703 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.735 ' HB2' ' HB2' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -116.4 11.4 14.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.198 178.208 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -58.87 -45.29 90.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.79 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -55.79 -39.37 71.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.727 -177.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -87.29 -30.62 20.74 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.837 -178.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -78.09 64.86 3.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.955 0.407 . . . . 0.0 110.899 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 75.6 -3.79 2.51 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.525 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 73.6 -79.37 0.82 Allowed Glycine 0 C--N 1.333 0.371 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 -178.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -125.77 106.38 16.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 170.258 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -60.1 -42.53 94.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.287 -172.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -128.43 -68.82 0.74 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.136 -0.483 . . . . 0.0 109.882 176.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 117.469 -1.253 . . . . 0.0 107.897 177.116 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.752 0 N-CA-C 111.714 -0.554 . . . . 0.0 111.714 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.69 -58.15 3.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.995 0.426 . . . . 0.0 110.415 179.494 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.86 128.26 24.36 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.519 177.686 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.27 113.81 18.72 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 177.237 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -76.75 151.79 35.89 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.299 0.571 . . . . 0.0 111.645 -174.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.447 ' H ' ' HG2' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -72.37 -44.36 62.67 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.474 179.858 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.604 ' HG2' ' N ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER 66.78 156.76 0.11 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.764 -1.107 . . . . 0.0 111.035 176.848 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.744 ' HB2' HG12 ' A' ' 15' ' ' ILE . 43.9 t -67.23 121.19 15.12 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 120.929 0.395 . . . . 0.0 111.625 -175.485 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.09 -5.96 59.33 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.286 174.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.904 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -74.24 -45.83 23.48 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.254 179.013 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.3 p -112.35 -88.26 0.54 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 176.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 165.13 69.92 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.679 0 N-CA-C 111.482 -0.647 . . . . 0.0 111.482 178.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 178.58 143.43 5.22 Favored Glycine 0 N--CA 1.432 -1.571 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 -177.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -59.45 122.04 13.0 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.744 HG12 ' HB2' ' A' ' 8' ' ' CYS . 3.1 mt -67.05 116.75 6.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.906 -177.166 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.55 20.1 8.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.258 0.552 . . . . 0.0 110.453 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -100.2 148.68 24.36 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.559 177.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.687 ' HB2' ' HB3' ' A' ' 110' ' ' ASN . 0.1 OUTLIER -91.77 2.79 56.26 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.383 0.611 . . . . 0.0 110.071 178.914 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -123.79 87.56 2.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.312 175.191 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.529 ' H ' HD12 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -105.77 157.95 17.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.284 0.564 . . . . 0.0 111.483 -176.906 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.657 HD21 HG23 ' A' ' 105' ' ' ILE . 0.4 OUTLIER -97.43 152.94 18.45 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.804 -1.089 . . . . 0.0 108.121 171.308 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.563 ' HD2' ' CE1' ' A' ' 27' ' ' TYR . 1.1 m-85 -129.35 126.31 38.63 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.412 ' HB1' ' CD1' ' A' ' 104' ' ' LEU . . . -152.84 118.6 5.37 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.936 -178.259 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 2.4 mtp 60.05 52.64 5.02 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.199 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 74.38 -40.64 0.45 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.829 0.851 . . . . 0.0 112.677 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.76 156.95 27.24 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.029 0.442 . . . . 0.0 110.372 -178.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.675 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 9.5 m-30 -100.69 157.47 16.66 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.512 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.525 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 30.1 m95 -137.0 162.41 33.39 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 -174.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.593 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 16.5 m80 -81.53 155.02 25.96 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 168.008 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -27.79 69.21 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.98 0.419 . . . . 0.0 110.484 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.62 1.86 41.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.334 178.316 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.904 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 1.8 m -94.31 -30.18 14.66 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 122.231 -0.293 . . . . 0.0 110.882 -179.308 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.514 HD22 HD22 ' A' ' 21' ' ' LEU . 16.2 tp -82.92 82.3 8.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.25 0.548 . . . . 0.0 109.971 175.003 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.84 ' HG3' ' HA ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -134.26 168.65 18.49 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.088 -175.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.684 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 38.3 t -65.13 145.89 55.7 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.286 177.277 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.95 -17.16 61.05 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.028 0.442 . . . . 0.0 110.466 177.614 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -111.06 -42.73 3.89 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.317 -179.321 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.684 ' HB2' ' HB3' ' A' ' 35' ' ' CYS . 86.4 m -76.65 -51.44 11.54 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.08 178.662 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.84 ' HA ' ' HG3' ' A' ' 34' ' ' LYS . 1.6 mp0 64.56 29.91 12.99 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.594 -176.315 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.17 -155.24 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.652 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.454 ' HB3' ' HB2' ' A' ' 44' ' ' ASP . 16.1 tp60 -96.16 99.85 11.55 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.405 179.459 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -73.29 -3.83 29.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.311 -178.268 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.91 21.74 7.82 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.272 179.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.454 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . 16.1 t70 -105.57 -50.69 3.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.116 0.484 . . . . 0.0 110.959 -179.707 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -94.9 52.78 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.54 -179.025 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 94.5 118.46 3.04 Favored Glycine 0 N--CA 1.446 -0.67 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 -174.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.429 HG22 HD12 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -78.98 100.93 7.51 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 122.414 -0.462 . . . . 0.0 110.816 -174.37 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.9 m -162.02 111.42 1.5 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.314 177.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.488 ' O ' ' HA ' ' A' ' 102' ' ' GLU . 3.1 p -113.1 159.95 18.69 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 176.254 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.636 ' HE2' ' HD3' ' A' ' 59' ' ' ARG . 6.0 m-85 -116.02 118.89 34.15 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.619 0.247 . . . . 0.0 110.764 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.52 ' OG1' HD22 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -90.86 101.71 14.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.734 178.558 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.488 ' HG2' ' O ' ' A' ' 51' ' ' THR . 9.2 mmtm -150.72 141.75 23.02 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 178.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.8 m 61.97 26.92 16.3 Favored 'General case' 0 C--N 1.332 -0.188 0 O-C-N 123.506 0.504 . . . . 0.0 111.533 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.24 18.56 65.25 Favored Glycine 0 CA--C 1.518 0.221 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.073 -178.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.444 ' HG2' ' O ' ' A' ' 52' ' ' LYS . 1.6 ptt? -129.89 170.5 13.83 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -179.284 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.413 ' O ' ' HA ' ' A' ' 35' ' ' CYS . 16.3 mm -120.82 122.44 67.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.396 -178.325 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 mp -122.1 165.2 16.45 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.611 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.652 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 30.5 p -83.29 175.45 9.89 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 172.334 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.636 ' HD3' ' HE2' ' A' ' 50' ' ' TYR . 6.7 tpp180 -63.8 -43.66 95.64 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.547 177.34 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -62.72 -47.51 83.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.03 0.443 . . . . 0.0 111.253 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.652 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 0.8 OUTLIER -70.47 -32.63 70.24 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.716 -178.681 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -63.92 -45.15 90.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.505 175.03 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.553 HG12 ' O ' ' A' ' 59' ' ' ARG . 3.5 mm -61.03 -38.42 79.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.166 0.508 . . . . 0.0 110.806 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.502 ' NH1' ' HA ' ' A' ' 61' ' ' ASP . 1.7 mtp-105 -80.5 -0.48 37.67 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.52 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.54 -70.28 0.81 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.81 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -115.93 -21.69 9.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.782 0.325 . . . . 0.0 111.479 -177.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -84.17 45.4 3.48 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.925 -176.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.698 ' HB3' ' HA ' ' A' ' 78' ' ' MET . 24.6 t-20 -73.54 129.95 39.06 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 176.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . 1.025 ' HA ' ' HA3' ' A' ' 81' ' ' GLY . 1.5 m -73.81 70.7 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.516 0.675 . . . . 0.0 111.244 -177.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -153.97 95.77 0.16 Allowed Glycine 0 N--CA 1.442 -0.962 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.401 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -76.72 74.81 3.38 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.046 0.45 . . . . 0.0 110.684 -178.086 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 159.43 -148.89 18.29 Favored Glycine 0 N--CA 1.445 -0.757 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.483 -177.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -134.08 42.29 1.38 Allowed Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.135 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.37 -38.74 65.58 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.982 0.42 . . . . 0.0 111.077 -178.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -97.67 -128.07 5.89 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.078 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -111.86 -91.37 2.01 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.289 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -90.96 68.67 6.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.02 0.438 . . . . 0.0 110.596 178.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.698 ' HA ' ' HB3' ' A' ' 68' ' ' ASN . 10.1 mtt -83.0 166.56 18.7 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 177.727 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -175.33 -108.22 0.22 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 119.743 -1.218 . . . . 0.0 113.372 -178.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.8 89.39 3.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.984 0.421 . . . . 0.0 111.736 -174.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 1.025 ' HA3' ' HA ' ' A' ' 69' ' ' SER . . . -173.0 179.82 44.17 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.422 178.608 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.683 ' HA2' ' HA3' ' A' ' 94' ' ' GLY . . . -105.2 -126.22 5.72 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 111.448 -0.661 . . . . 0.0 111.448 177.754 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.521 ' HB3' ' HB ' ' A' ' 86' ' ' VAL . 14.6 t70 -174.25 165.78 4.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.791 0.296 . . . . 0.0 111.141 178.414 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.86 -27.19 24.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.912 177.27 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -165.17 67.09 0.13 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.23 179.073 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.521 ' HB ' ' HB3' ' A' ' 83' ' ' ASP . 7.7 p -77.69 120.77 28.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.431 0.634 . . . . 0.0 110.679 -178.51 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 18.6 m -112.05 171.28 3.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.4 -178.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 114.13 -113.36 3.03 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.623 -0.798 . . . . 0.0 111.295 -177.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -153.11 73.85 6.92 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-O 121.043 0.449 . . . . 0.0 110.305 175.139 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -84.12 167.04 12.6 Favored 'Trans proline' 0 N--CA 1.456 -0.701 0 C-N-CA 123.191 2.594 . . . . 0.0 111.686 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.03 -24.3 55.22 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.062 0.458 . . . . 0.0 111.316 -178.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.477 ' HB3' ' H ' ' A' ' 93' ' ' MET . 5.2 mt -163.48 -135.72 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 178.456 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.546 ' O ' ' HG2' ' A' ' 93' ' ' MET . 0.0 OUTLIER -78.78 71.06 5.22 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 169.312 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.683 ' HA3' ' HA2' ' A' ' 82' ' ' GLY . . . 88.18 -66.36 3.29 Favored Glycine 0 N--CA 1.443 -0.872 0 CA-C-N 114.594 -1.184 . . . . 0.0 110.279 -166.155 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.08 -10.6 73.51 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 121.099 -0.572 . . . . 0.0 112.782 173.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.531 ' HB2' ' H ' ' A' ' 81' ' ' GLY . 5.3 mm-40 -79.11 -7.79 58.45 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.8 0.333 . . . . 0.0 111.296 -177.717 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.434 ' CD2' ' HA2' ' A' ' 81' ' ' GLY . 0.1 OUTLIER -82.65 3.88 27.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.904 0.383 . . . . 0.0 111.179 178.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -98.61 72.57 0.57 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.625 177.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -93.86 124.29 37.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.929 0.395 . . . . 0.0 110.79 -178.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -86.89 1.54 52.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.797 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.74 3.88 10.81 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 -179.344 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.607 ' HB3' ' CE1' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -100.9 172.64 6.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.693 179.349 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 56.85 45.5 21.43 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.744 175.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.52 HD22 ' OG1' ' A' ' 51' ' ' THR . 0.4 OUTLIER -98.61 11.41 38.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.561 178.586 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.657 HG23 HD21 ' A' ' 21' ' ' LEU . 1.6 mt -74.79 102.55 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.825 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.431 ' HB ' ' HB2' ' A' ' 22' ' ' TYR . 60.6 m -105.24 115.07 29.64 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 173.446 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.29 112.14 10.17 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-O 121.159 0.504 . . . . 0.0 110.738 -172.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.439 ' H ' ' HE1' ' A' ' 22' ' ' TYR . 1.1 mp -128.21 161.94 28.14 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.13 176.473 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.694 ' HG2' ' HB2' ' A' ' 112' ' ' GLN . 0.0 OUTLIER -134.0 162.18 32.77 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.136 -177.102 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.942 ' HA ' ' HB3' ' A' ' 114' ' ' ASP . 0.1 OUTLIER -66.04 -19.28 65.8 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.422 0.63 . . . . 0.0 109.901 176.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.33 0.42 49.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.121 177.644 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.694 ' HB2' ' HG2' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -103.02 -100.79 0.29 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.657 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.487 ' H ' ' HB3' ' A' ' 112' ' ' GLN . 0.1 OUTLIER -96.86 -21.01 17.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.784 0.326 . . . . 0.0 111.109 -179.303 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.942 ' HB3' ' HA ' ' A' ' 110' ' ' ASN . 2.0 t0 -72.16 178.64 3.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.648 -179.403 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.42 ' O ' ' HB2' ' A' ' 110' ' ' ASN . . . -100.25 170.6 8.33 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.644 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.574 ' HA ' ' OD1' ' A' ' 110' ' ' ASN . . . -85.07 22.11 1.49 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.322 0.582 . . . . 0.0 110.763 177.025 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -99.18 36.54 1.7 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.045 177.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 77.09 -93.47 1.08 Allowed Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.844 -0.694 . . . . 0.0 111.702 -176.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.71 113.27 26.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 176.209 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -116.63 -31.35 5.54 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.966 0.413 . . . . 0.0 110.313 -178.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -78.91 128.42 33.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.139 177.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.222 0 CA-C-O 118.548 -0.739 . . . . 0.0 111.217 -178.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.764 0 N-CA-C 111.883 -0.487 . . . . 0.0 111.883 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.96 11.89 8.35 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.824 0.345 . . . . 0.0 110.439 -178.485 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.503 ' HA ' HD22 ' A' ' 3' ' ' LEU . 0.2 OUTLIER 57.32 43.72 22.97 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.489 -178.262 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.9 m -85.04 -5.64 59.34 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.868 -176.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -82.78 169.8 15.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.092 175.658 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.778 ' HD3' ' HB3' ' A' ' 17' ' ' ASP . 4.3 mptt -92.97 -13.38 28.85 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.385 -178.719 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.667 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 0.0 OUTLIER 70.13 107.6 0.06 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.855 173.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.621 ' HB2' HG12 ' A' ' 15' ' ' ILE . 12.5 t -74.01 156.04 37.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.604 -1.18 . . . . 0.0 111.061 -176.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -114.59 12.5 17.27 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.631 174.166 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.649 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -113.28 -39.12 1.16 Allowed Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.435 -0.888 . . . . 0.0 113.317 -176.037 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.418 ' SG ' ' N ' ' A' ' 12' ' ' GLY . 26.5 p -122.39 -120.32 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.024 0.44 . . . . 0.0 111.651 -175.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.418 ' N ' ' SG ' ' A' ' 11' ' ' CYS . . . -84.3 -39.99 8.78 Favored Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.908 179.003 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 135.71 -10.64 4.28 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.271 -0.966 . . . . 0.0 113.645 176.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.66 81.41 8.64 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 117.048 0.424 . . . . 0.0 110.716 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.621 HG12 ' HB2' ' A' ' 8' ' ' CYS . 2.6 mt -68.32 153.85 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.667 178.171 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.99 74.49 10.52 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 165.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.778 ' HB3' ' HD3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -61.88 -6.93 3.1 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 114.669 -1.15 . . . . 0.0 112.245 -166.809 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.495 ' HA ' ' HB3' ' A' ' 116' ' ' ALA . 0.0 OUTLIER -65.26 -12.22 49.33 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 172.363 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.621 ' HA ' ' HB2' ' A' ' 109' ' ' GLU . 12.4 m-85 -160.04 67.86 0.37 Allowed 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.894 -177.026 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.899 HD23 ' HG3' ' A' ' 109' ' ' GLU . 0.1 OUTLIER -107.15 168.99 8.83 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-O 121.421 0.629 . . . . 0.0 112.131 -175.391 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.796 HD11 HG23 ' A' ' 105' ' ' ILE . 1.0 OUTLIER -118.31 148.9 42.0 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.402 -179.551 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.592 ' HD2' HG22 ' A' ' 106' ' ' THR . 3.1 m-85 -118.55 99.55 6.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.054 177.191 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -135.69 142.32 45.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.709 0.29 . . . . 0.0 111.386 -177.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.7 mtt 62.18 30.68 17.74 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.12 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 64.2 16.08 9.8 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.357 -176.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -127.18 164.09 22.42 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 176.699 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.516 ' CE1' ' HD1' ' A' ' 22' ' ' TYR . 18.9 m-30 -101.68 153.04 20.13 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -179.225 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.614 ' CD2' HD23 ' A' ' 33' ' ' LEU . 87.5 m95 -144.12 171.94 13.59 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.85 -167.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.587 ' CE1' ' HA ' ' A' ' 15' ' ' ILE . 1.5 m80 -94.67 170.5 9.41 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.333 -1.303 . . . . 0.0 110.087 170.514 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -36.65 78.58 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.518 0.675 . . . . 0.0 110.11 172.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.405 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -86.36 -31.72 21.35 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.153 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.649 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 93.0 m -78.77 -31.05 45.96 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 111.505 0.187 . . . . 0.0 111.505 -174.55 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.768 ' HG ' HD22 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -80.75 75.5 7.66 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 170.648 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.41 ' H ' ' HG3' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -119.17 160.78 21.5 Favored 'General case' 0 CA--C 1.501 -0.922 0 CA-C-N 114.869 -1.06 . . . . 0.0 111.658 -171.482 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.564 ' HB2' ' H ' ' A' ' 39' ' ' GLN . 11.0 m -63.48 164.52 9.2 Favored 'General case' 0 N--CA 1.434 -1.252 0 CA-C-N 112.867 -1.97 . . . . 0.0 111.889 178.549 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.94 -19.34 23.39 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.329 176.274 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.61 -62.76 1.55 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.965 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.2 m -58.9 -40.59 84.92 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.047 178.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.564 ' H ' ' HB2' ' A' ' 35' ' ' CYS . 62.0 mt-30 48.64 40.02 14.72 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.59 0.756 . . . . 0.0 111.677 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -91.11 -149.87 0.23 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.478 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.86 64.77 2.07 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 175.214 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.835 ' HG ' HD11 ' A' ' 105' ' ' ILE . 41.0 tp -60.16 -34.08 73.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.639 -177.692 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.471 ' O ' ' HG3' ' A' ' 107' ' ' ARG . . . -78.84 15.61 9.87 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.997 -0.62 . . . . 0.0 113.494 179.284 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -133.33 10.41 4.1 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 117.218 0.509 . . . . 0.0 110.965 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.543 HG12 ' O ' ' A' ' 42' ' ' LEU . 23.4 pt -92.92 -28.21 4.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.842 0.353 . . . . 0.0 111.215 -179.445 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 96.18 -29.48 10.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.874 -0.679 . . . . 0.0 113.027 176.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.51 148.87 33.27 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.499 0.19 . . . . 0.0 110.649 -179.368 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.563 ' HA ' ' HB ' ' A' ' 105' ' ' ILE . 1.3 m -77.25 139.09 39.76 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.899 0.381 . . . . 0.0 110.879 -177.749 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.532 ' OG ' HG13 ' A' ' 105' ' ' ILE . 1.4 p -95.03 -170.61 2.23 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.667 -178.394 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.482 ' CD1' ' HB3' ' A' ' 101' ' ' ASP . 0.6 OUTLIER -129.83 143.96 51.07 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.37 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.25 125.02 53.38 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.874 0.369 . . . . 0.0 111.502 -177.133 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.471 ' HG3' ' CE1' ' A' ' 62' ' ' TYR . 19.6 mmtt -149.61 146.47 27.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.081 178.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.8 m 60.28 22.37 11.8 Favored 'General case' 0 C--N 1.332 -0.168 0 O-C-N 123.469 0.481 . . . . 0.0 111.106 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.38 -2.39 45.98 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.9 -0.666 . . . . 0.0 112.232 -176.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 6.2 mtm -93.99 170.0 9.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.251 0.548 . . . . 0.0 110.498 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.415 HG23 HD21 ' A' ' 104' ' ' LEU . 3.8 mt -110.63 118.38 57.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.057 177.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.533 ' HB3' ' HB3' ' A' ' 61' ' ' ASP . 1.1 mp -124.5 162.39 24.08 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.882 -178.54 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.426 ' SG ' ' HB3' ' A' ' 60' ' ' ASN . 14.1 p -81.57 176.59 9.53 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 169.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.656 ' O ' HG12 ' A' ' 63' ' ' ILE . 4.2 mmm-85 -71.27 -31.63 67.73 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 175.529 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.476 ' O ' ' HD3' ' A' ' 64' ' ' ARG . 55.8 t30 -62.69 -50.11 72.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.591 173.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.533 ' HB3' ' HB3' ' A' ' 57' ' ' LEU . 1.4 m-20 -55.27 -46.68 76.13 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.224 176.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.471 ' CE1' ' HG3' ' A' ' 52' ' ' LYS . 28.1 t80 -54.87 -45.83 74.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.403 179.119 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.656 HG12 ' O ' ' A' ' 59' ' ' ARG . 21.4 mm -68.49 -25.92 32.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.972 0.415 . . . . 0.0 111.274 -178.067 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.476 ' HD3' ' O ' ' A' ' 60' ' ' ASN . 2.5 mpp_? -82.37 -35.17 28.02 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.89 0.376 . . . . 0.0 110.941 178.588 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.5 tp -90.47 -44.46 9.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.878 -175.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -130.31 39.99 3.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.948 0.404 . . . . 0.0 110.349 -176.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.419 ' HA3' ' O ' ' A' ' 63' ' ' ILE . . . -79.03 46.37 2.94 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 121.088 -0.577 . . . . 0.0 113.191 -176.46 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -82.71 114.23 20.92 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 175.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.8 m 61.94 46.02 7.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.429 0.633 . . . . 0.0 110.633 -176.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.588 ' HA2' ' CD1' ' A' ' 97' ' ' PHE . . . -88.66 76.33 1.89 Allowed Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.034 179.03 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.41 -54.62 22.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.729 0.3 . . . . 0.0 110.851 -177.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -144.61 -59.35 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.277 178.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 130.09 46.3 0.16 Allowed Glycine 0 N--CA 1.443 -0.846 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.26 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.3 m -66.35 134.73 53.19 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.887 0.375 . . . . 0.0 110.954 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 178.3 157.52 19.17 Favored Glycine 0 N--CA 1.449 -0.482 0 N-CA-C 111.697 -0.561 . . . . 0.0 111.697 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -160.89 20.99 0.22 Allowed Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.475 -0.869 . . . . 0.0 112.731 -178.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -73.54 131.79 42.13 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 10.9 tpt -79.99 70.08 6.49 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.244 0.545 . . . . 0.0 110.086 179.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 133.15 130.78 3.1 Favored Glycine 0 N--CA 1.442 -0.914 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 -174.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.417 ' HA ' ' HA ' ' A' ' 101' ' ' ASP . 0.1 OUTLIER -68.42 99.66 0.98 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.271 0.557 . . . . 0.0 111.075 -174.606 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -178.15 81.14 0.06 OUTLIER Glycine 0 N--CA 1.444 -0.789 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.853 -177.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.627 ' HA3' ' HB2' ' A' ' 100' ' ' GLU . . . -115.59 84.96 0.38 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.251 -178.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -102.86 147.13 27.28 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 178.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 6.5 t -81.11 76.07 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.408 0.623 . . . . 0.0 109.878 177.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.7 tmm? -135.0 -158.85 0.91 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.679 -177.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 11.6 t -80.47 91.12 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 175.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.0 p -144.0 -19.44 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.927 -174.16 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 97.48 38.19 4.3 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.585 -178.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.44 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 0.3 OUTLIER -98.59 140.13 21.6 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-O 120.535 0.207 . . . . 0.0 110.469 -179.6 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 89' ' ' GLU . 12.5 Cg_exo -70.18 173.61 11.09 Favored 'Trans proline' 0 N--CA 1.46 -0.455 0 C-N-CA 122.982 2.455 . . . . 0.0 111.851 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.9 m -66.57 131.6 46.36 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.683 178.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.4 mt -68.24 131.27 45.06 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.285 -179.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.65 -43.41 63.24 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.582 -175.294 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 109.8 -47.64 1.02 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.446 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -72.42 -44.84 40.47 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.907 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -98.86 124.75 43.98 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 177.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.588 ' CD1' ' HA2' ' A' ' 70' ' ' GLY . 9.4 p90 -63.81 -37.48 87.52 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.131 0.491 . . . . 0.0 110.836 -176.654 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 46.29 53.98 8.95 Favored Glycine 0 C--N 1.319 -0.402 0 CA-C-N 114.48 -1.236 . . . . 0.0 113.239 175.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -74.98 117.35 16.73 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.793 0.33 . . . . 0.0 110.366 -179.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.627 ' HB2' ' HA3' ' A' ' 82' ' ' GLY . 67.1 mm-40 -79.06 43.51 0.52 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.119 -178.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.482 ' HB3' ' CD1' ' A' ' 50' ' ' TYR . 0.5 OUTLIER -99.65 33.06 2.62 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.49 177.886 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.73 177.32 8.41 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.796 -1.093 . . . . 0.0 112.142 -174.428 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.43 29.05 16.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 114.827 -1.079 . . . . 0.0 112.081 177.372 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.415 HD21 HG23 ' A' ' 56' ' ' ILE . 38.1 tp -66.93 -45.76 76.88 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 176.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.835 HD11 ' HG ' ' A' ' 42' ' ' LEU . 37.5 mt -82.99 124.13 39.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.454 0.645 . . . . 0.0 110.371 174.753 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.592 HG22 ' HD2' ' A' ' 22' ' ' TYR . 88.3 m -131.18 86.15 2.34 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 175.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.471 ' HG3' ' O ' ' A' ' 43' ' ' GLY . 0.0 OUTLIER -119.5 96.86 5.38 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.907 -172.777 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.565 ' HB3' ' HG2' ' A' ' 112' ' ' GLN . 0.0 OUTLIER -146.34 102.3 3.58 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.575 174.147 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.899 ' HG3' HD23 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -143.53 134.33 25.25 Favored 'General case' 0 C--O 1.21 -1.018 0 N-CA-C 112.176 0.435 . . . . 0.0 112.176 178.668 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 172.5 -48.12 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 107.416 -1.328 . . . . 0.0 107.416 173.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.4 31.27 1.35 Allowed 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 113.592 -1.64 . . . . 0.0 108.473 170.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.565 ' HG2' ' HB3' ' A' ' 108' ' ' LEU . 2.2 tp60 -92.5 -81.52 0.34 Allowed 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.521 -176.564 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.54 ' HD1' ' HA ' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -87.77 -35.26 17.97 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 175.671 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -127.74 156.36 42.56 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.143 175.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -98.72 54.39 1.03 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 176.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.495 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . . . -99.53 127.48 45.61 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.519 -176.131 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -123.95 127.54 48.11 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.64 177.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -99.48 -119.17 4.22 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.748 -175.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 11.3 pt -84.3 6.13 2.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.801 0.334 . . . . 0.0 111.424 -177.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.9 25.19 11.38 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.385 0.612 . . . . 0.0 110.072 178.323 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -83.38 -53.26 5.86 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.632 -178.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.693 -0.67 . . . . 0.0 109.806 179.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.624 0 N-CA-C 111.73 -0.548 . . . . 0.0 111.73 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.99 -26.74 66.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.993 0.425 . . . . 0.0 111.157 -178.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.2 98.82 5.43 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.901 178.083 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.8 m -82.09 50.87 1.65 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.825 0.345 . . . . 0.0 111.557 -176.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.859 ' HE3' ' HE3' ' A' ' 14' ' ' LYS . 5.0 p-90 -95.41 146.88 24.07 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.106 176.742 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.52 ' HA ' ' CD2' ' A' ' 27' ' ' TYR . 1.3 mptp? -94.73 105.34 17.28 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.054 -176.246 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -113.12 142.46 45.73 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.137 176.763 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.693 ' HB2' HG12 ' A' ' 15' ' ' ILE . 38.5 t -89.62 137.89 31.94 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.125 -176.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -102.44 3.88 38.19 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.189 176.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.854 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -84.84 -43.42 6.79 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.042 -178.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.8 p -106.42 -73.78 0.67 Allowed 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 175.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 151.89 51.1 0.01 OUTLIER Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.542 -0.837 . . . . 0.0 113.112 177.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -156.13 -149.8 5.45 Favored Glycine 0 N--CA 1.436 -1.345 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.569 176.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.859 ' HE3' ' HE3' ' A' ' 5' ' ' TRP . 19.3 tttt -100.73 150.16 23.06 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 176.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.693 HG12 ' HB2' ' A' ' 8' ' ' CYS . 2.1 mt -94.1 105.85 17.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 120.978 0.418 . . . . 0.0 110.653 179.156 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.5 -5.9 53.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.241 0.543 . . . . 0.0 110.051 178.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.89 145.89 37.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.373 179.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.87 -45.15 71.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.542 -178.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -89.78 97.6 11.29 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.795 -177.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -101.78 166.64 10.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.998 177.885 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.943 HD22 ' HG ' ' A' ' 33' ' ' LEU . 0.4 OUTLIER -119.07 140.53 49.93 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.858 173.886 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.452 ' HB2' ' HB ' ' A' ' 106' ' ' THR . 3.2 m-85 -113.2 113.59 25.57 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -179.011 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -152.67 140.61 20.17 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 121.014 -0.274 . . . . 0.0 111.575 -177.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.439 ' H ' HD11 ' A' ' 104' ' ' LEU . 6.1 mtm 62.63 32.88 16.11 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.107 179.211 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 64.47 16.8 10.47 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.997 -178.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -130.25 165.92 21.42 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.959 177.612 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.52 ' CD2' ' HA ' ' A' ' 6' ' ' LYS . 2.7 m-85 -110.36 152.42 26.25 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.89 -177.427 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.509 ' CD2' HD23 ' A' ' 33' ' ' LEU . 22.0 m95 -139.93 164.54 29.73 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.765 -171.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.577 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 8.3 m80 -79.83 172.0 14.36 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 170.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.34 -44.81 82.26 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 120.881 0.372 . . . . 0.0 110.573 176.12 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.1 ttm105 -92.51 1.95 56.96 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.854 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 42.8 m -95.41 -20.62 18.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 122.075 -0.391 . . . . 0.0 110.609 178.614 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.943 ' HG ' HD22 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -87.61 76.45 8.9 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 122.084 0.945 . . . . 0.0 109.499 173.896 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.452 ' HG3' ' HA ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -128.65 164.02 23.81 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 114.367 -1.288 . . . . 0.0 109.672 -176.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 35.0 t -60.48 147.45 41.15 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.967 0.413 . . . . 0.0 110.798 -179.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.1 m -77.93 -12.11 59.95 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.071 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.41 -46.57 2.87 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.937 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 70.0 m -79.53 -30.95 42.01 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -178.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.452 ' HA ' ' HG3' ' A' ' 34' ' ' LYS . 18.1 mm-40 60.92 29.53 19.07 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.331 0.586 . . . . 0.0 110.42 -174.53 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.49 138.41 37.58 Favored 'General case' 0 N--CA 1.438 -1.066 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.395 176.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.749 ' HB3' ' HB2' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -57.13 114.99 2.38 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 114.948 -1.023 . . . . 0.0 110.229 -177.183 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.444 ' O ' HG12 ' A' ' 45' ' ' ILE . 19.6 mt -79.09 -29.87 43.55 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.384 -174.51 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.38 -7.87 79.08 Favored Glycine 0 C--N 1.329 0.162 0 C-N-CA 120.61 -0.805 . . . . 0.0 111.771 176.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.749 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . 6.8 t0 -69.79 -26.08 64.1 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 122.89 0.476 . . . . 0.0 110.668 178.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.444 HG12 ' O ' ' A' ' 42' ' ' LEU . 17.2 pt -100.21 -1.78 9.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.661 -179.201 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 123.72 -122.82 5.02 Favored Glycine 0 N--CA 1.445 -0.726 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.53 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.401 ' HA ' ' HB ' ' A' ' 105' ' ' ILE . 0.1 OUTLIER -128.23 103.25 7.08 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-O 121.636 0.731 . . . . 0.0 109.933 173.884 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.763 ' H ' HD12 ' A' ' 105' ' ' ILE . 4.4 m -161.04 111.24 1.71 Allowed 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.54 179.523 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.591 ' OG ' HG13 ' A' ' 105' ' ' ILE . 0.1 OUTLIER -153.34 124.27 7.37 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 177.335 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -84.12 112.1 19.92 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 120.995 0.426 . . . . 0.0 111.061 -173.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.497 HG23 HD22 ' A' ' 104' ' ' LEU . 0.2 OUTLIER -85.99 100.24 12.0 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.183 -176.07 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.906 ' HE2' HD12 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -157.4 137.32 12.45 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.904 -1.044 . . . . 0.0 108.314 176.205 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 64.98 14.19 9.17 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 123.39 0.431 . . . . 0.0 111.253 -177.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 61.77 21.2 60.54 Favored Glycine 0 C--N 1.333 0.41 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 -173.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.558 ' HB3' ' NZ ' ' A' ' 52' ' ' LYS . 10.9 ttm -113.14 117.32 31.62 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.533 -0.334 . . . . 0.0 110.385 -173.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.474 HD11 ' CH2' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -77.22 114.3 17.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.98 -179.197 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.906 HD12 ' HE2' ' A' ' 52' ' ' LYS . 87.5 mt -125.83 166.09 17.5 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.309 177.235 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 7.5 p -81.4 -177.19 6.39 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.331 175.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.6 mtt85 -80.78 -10.58 59.71 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.488 176.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -93.76 -49.18 5.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.816 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -63.66 -35.69 81.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.687 -177.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -55.2 -41.87 72.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.373 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.548 HG22 ' HA ' ' A' ' 69' ' ' SER . 23.1 mm -64.37 -34.7 71.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.759 -176.25 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.44 HH11 ' HD2' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -85.68 -31.49 22.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.46 -177.479 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.591 HD12 HD13 ' A' ' 57' ' ' LEU . 65.3 mt -91.72 -39.03 12.05 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -174.334 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -125.23 -41.82 2.04 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -172.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -78.88 -174.79 45.52 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.872 -175.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -86.77 114.22 23.26 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 175.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.548 ' HA ' HG22 ' A' ' 63' ' ' ILE . 1.4 m -76.58 68.62 2.9 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.25 0.548 . . . . 0.0 111.366 -175.759 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -127.99 -139.56 4.86 Favored Glycine 0 N--CA 1.448 -0.548 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.433 178.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -156.28 134.05 11.05 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.775 0.321 . . . . 0.0 110.623 178.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -99.75 -16.07 29.77 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.825 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.72 -84.92 1.38 Allowed Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 121.015 -0.612 . . . . 0.0 111.824 -179.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.36 -52.35 19.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.639 0.257 . . . . 0.0 110.383 177.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.516 ' HA2' ' HA3' ' A' ' 95' ' ' GLY . . . 169.69 -28.11 0.13 Allowed Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.158 -1.02 . . . . 0.0 113.262 176.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.88 -130.98 39.78 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.4 -176.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -84.97 82.37 8.48 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 174.145 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.49 98.06 7.78 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.143 0.497 . . . . 0.0 111.014 -176.605 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.797 ' HA3' ' HG2' ' A' ' 100' ' ' GLU . . . -92.49 0.02 70.49 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.698 -0.763 . . . . 0.0 111.37 177.165 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.627 ' HB3' ' HG2' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -81.84 151.21 27.46 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.217 -0.492 . . . . 0.0 111.053 -178.575 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 172.69 18.7 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.888 179.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -82.64 16.44 25.54 Favored Glycine 0 CA--C 1.521 0.444 0 C-N-CA 120.88 -0.676 . . . . 0.0 113.461 -178.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.536 ' HB3' ' HB ' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -75.19 64.5 1.44 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 117.031 0.415 . . . . 0.0 110.188 178.11 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 31.3 m -80.71 -6.87 10.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.526 -175.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -126.46 27.51 6.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.741 0.782 . . . . 0.0 109.801 177.083 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.696 HG13 ' H ' ' A' ' 88' ' ' GLY . 2.1 p -81.17 170.87 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.785 177.698 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.466 ' H ' HG22 ' A' ' 86' ' ' VAL . 7.7 p -53.5 -33.7 22.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-O 120.822 0.344 . . . . 0.0 111.5 -177.694 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.696 ' H ' HG13 ' A' ' 86' ' ' VAL . . . 122.28 -44.54 1.32 Allowed Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.815 -0.707 . . . . 0.0 111.651 178.131 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.517 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 1.1 mp0 -64.54 138.56 97.49 Favored Pre-proline 0 C--N 1.323 -0.57 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 178.009 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.517 ' HD3' ' HA ' ' A' ' 89' ' ' GLU . 12.4 Cg_exo -75.34 29.19 0.37 Allowed 'Trans proline' 0 CA--C 1.529 0.27 0 C-N-CA 123.208 2.606 . . . . 0.0 113.281 -175.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.26 51.93 2.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.023 0.44 . . . . 0.0 110.746 178.64 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.0 mp -74.01 -52.15 13.65 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.434 -179.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 54.51 52.98 11.38 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.677 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -127.81 55.63 0.75 Allowed Glycine 0 N--CA 1.445 -0.727 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.46 -179.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.516 ' HA3' ' HA2' ' A' ' 75' ' ' GLY . . . -102.02 13.17 57.52 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.272 -178.57 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.461 ' HG3' HG13 ' A' ' 63' ' ' ILE . 0.1 OUTLIER -68.64 -44.38 74.29 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.842 0.353 . . . . 0.0 110.516 179.731 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -162.42 71.92 0.33 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.066 177.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.15 72.48 2.29 Favored Glycine 0 N--CA 1.449 -0.5 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.588 -178.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -66.31 142.24 57.72 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.797 ' HG2' ' HA3' ' A' ' 79' ' ' GLY . 0.7 OUTLIER -87.11 49.02 1.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.174 -176.696 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -132.84 35.64 3.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.391 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.627 ' HG2' ' HB3' ' A' ' 80' ' ' SER . 0.0 OUTLIER -100.75 -19.36 16.05 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.304 -177.823 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.417 ' HD3' ' HA ' ' A' ' 103' ' ' ARG . 0.2 OUTLIER -77.69 52.41 1.0 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.439 0.637 . . . . 0.0 111.124 -179.022 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.497 HD22 HG23 ' A' ' 51' ' ' THR . 16.1 tp -93.39 -22.14 19.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.663 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.763 HD12 ' H ' ' A' ' 48' ' ' SER . 54.6 mt -76.61 105.71 5.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.211 0.529 . . . . 0.0 110.615 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.452 ' HB ' ' HB2' ' A' ' 22' ' ' TYR . 36.2 m -100.9 106.01 17.33 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.232 176.536 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.3 111.79 19.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.054 0.455 . . . . 0.0 109.991 -177.175 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 11.7 mt -145.62 100.69 3.47 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.889 177.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.63 ' HG2' ' HA ' ' A' ' 112' ' ' GLN . 21.3 pm0 -87.51 160.94 18.06 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.976 179.29 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -71.33 111.57 6.77 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 176.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 1.9 m 69.35 80.27 0.19 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.467 -170.019 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.63 ' HA ' ' HG2' ' A' ' 109' ' ' GLU . 7.9 mt-30 -54.29 136.61 43.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.634 -174.088 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 11.9 m-30 -96.8 127.55 42.89 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.404 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -74.82 -45.11 45.55 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 174.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -101.37 104.14 15.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.916 -1.038 . . . . 0.0 109.354 171.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -76.46 -25.66 54.59 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.692 -174.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -71.2 -17.38 62.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.895 0.378 . . . . 0.0 110.621 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -118.87 -172.46 15.37 Favored Glycine 0 N--CA 1.446 -0.687 0 N-CA-C 111.365 -0.694 . . . . 0.0 111.365 174.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.494 ' H ' HG13 ' A' ' 119' ' ' ILE . 0.1 OUTLIER -100.74 83.65 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 175.795 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -73.77 77.88 1.58 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.49 -174.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -172.24 -38.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.518 178.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 . . . . . 0 C--O 1.245 0.862 0 CA-C-O 118.16 -0.924 . . . . 0.0 109.894 176.924 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.887 0 N-CA-C 111.721 -0.552 . . . . 0.0 111.721 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.35 1.64 5.11 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.996 0.427 . . . . 0.0 110.686 179.145 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.478 HD13 ' HA ' ' A' ' 3' ' ' LEU . 0.2 OUTLIER -104.1 -139.66 0.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.734 177.797 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.426 ' H ' ' HB3' ' A' ' 3' ' ' LEU . 1.0 OUTLIER 52.88 -148.76 0.42 Allowed 'General case' 0 C--O 1.234 0.249 0 O-C-N 123.341 0.4 . . . . 0.0 111.153 178.166 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 10.7 p-90 -124.49 122.4 37.52 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 174.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.521 ' HA ' ' HD2' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -67.61 108.75 3.0 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.368 -174.675 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.525 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -123.58 130.19 52.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.543 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.401 ' HB2' HG12 ' A' ' 15' ' ' ILE . 6.7 t -77.33 145.76 37.16 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.197 -0.911 . . . . 0.0 111.478 -176.363 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.426 ' HA ' ' NH2' ' A' ' 7' ' ' ARG . . . -109.55 8.84 25.25 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.194 172.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.639 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -102.4 -44.77 1.79 Allowed Glycine 0 N--CA 1.444 -0.799 0 CA-C-N 115.397 -0.82 . . . . 0.0 112.592 -177.217 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.429 ' SG ' ' N ' ' A' ' 12' ' ' GLY . 20.6 p -110.34 -95.19 0.42 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.985 0.392 . . . . 0.0 111.13 -179.526 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.429 ' N ' ' SG ' ' A' ' 11' ' ' CYS . . . -105.54 -91.67 2.23 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 121.035 -0.602 . . . . 0.0 112.858 -178.308 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -151.07 -97.16 0.16 Allowed Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.73 -177.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.606 ' HD3' ' HB2' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -54.17 114.99 1.82 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.924 0.392 . . . . 0.0 111.853 -177.104 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.745 HG22 ' H ' ' A' ' 17' ' ' ASP . 10.2 mt -73.45 -71.85 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.824 -179.689 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.606 ' HB2' ' HD3' ' A' ' 14' ' ' LYS . . . 62.6 20.48 12.04 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 123.555 0.534 . . . . 0.0 111.458 -179.038 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.745 ' H ' HG22 ' A' ' 15' ' ' ILE . 0.5 OUTLIER -100.6 155.9 17.61 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.755 175.698 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 ttm105 -75.89 -40.13 55.06 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 176.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.0 m-30 -91.66 113.5 25.78 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.162 178.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.407 HD21 ' CE2' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -151.66 168.59 24.53 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.492 177.897 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.617 HD13 ' HA3' ' A' ' 43' ' ' GLY . 0.2 OUTLIER -128.2 154.48 45.77 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.0 0.429 . . . . 0.0 110.942 -177.35 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.455 ' HD2' ' CD1' ' A' ' 27' ' ' TYR . 2.8 m-85 -121.35 114.47 21.37 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.052 177.74 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -146.38 130.63 17.52 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.818 0.342 . . . . 0.0 111.423 -176.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 61.26 39.09 16.03 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.233 178.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 59.32 25.17 13.78 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.306 -178.138 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.91 148.01 52.29 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.393 175.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.521 ' HD2' ' HA ' ' A' ' 6' ' ' LYS . 11.6 m-30 -97.99 149.2 22.7 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 -177.667 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.512 ' CD2' HD23 ' A' ' 33' ' ' LEU . 35.2 m95 -142.07 175.09 10.01 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.846 -172.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.603 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 15.9 m80 -94.16 166.51 12.09 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 166.105 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -42.73 98.84 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.912 0.386 . . . . 0.0 110.838 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.6 tpp85 -84.16 -20.17 32.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.214 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.639 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 57.8 m -77.95 -24.45 48.19 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.603 ' HG ' HD22 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -85.36 87.58 7.4 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 172.426 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.57 ' HG3' ' HA ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -132.28 170.69 14.7 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.974 -175.437 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 41.9 t -60.18 145.94 45.24 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.258 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.1 m -84.01 -8.98 59.0 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.376 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.3 m -111.15 -43.21 3.77 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.372 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.5 m -100.38 -17.44 17.22 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -177.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.57 ' HA ' ' HG3' ' A' ' 34' ' ' LYS . 87.2 mm-40 63.61 22.15 13.03 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.51 0.671 . . . . 0.0 109.287 -170.455 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.26 122.7 23.26 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.118 -179.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.705 ' HG3' ' HB3' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -48.57 116.67 1.68 Allowed 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 114.365 -1.289 . . . . 0.0 111.096 -179.748 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 55.9 mt -108.08 -39.94 5.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.663 -175.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.617 ' HA3' HD13 ' A' ' 21' ' ' LEU . . . -85.89 -32.29 18.42 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.091 -1.052 . . . . 0.0 112.879 -177.416 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.705 ' HB3' ' HG3' ' A' ' 41' ' ' GLN . 10.2 t0 -75.78 -5.12 44.3 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -175.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 pt -95.83 -13.28 8.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.549 176.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.33 -20.88 43.61 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.909 -0.662 . . . . 0.0 113.569 175.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.59 174.05 10.88 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.774 0.287 . . . . 0.0 111.255 -178.39 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.449 ' HA ' ' HB ' ' A' ' 105' ' ' ILE . 0.1 OUTLIER -89.98 158.72 17.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.05 0.452 . . . . 0.0 111.357 -178.217 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.5 p -105.65 171.92 7.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.12 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.887 ' HE1' ' HB3' ' A' ' 101' ' ' ASP . 2.0 m-85 -110.31 114.22 27.5 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.059 177.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -112.25 115.42 28.77 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.202 0.525 . . . . 0.0 111.22 -178.05 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.486 ' HB3' ' CE1' ' A' ' 66' ' ' PHE . 17.0 tptt -144.89 135.06 24.04 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.359 177.722 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.636 ' HB2' ' HG3' ' A' ' 55' ' ' MET . 66.3 m 68.78 17.25 8.84 Favored 'General case' 0 N--CA 1.466 0.34 0 O-C-N 123.433 0.458 . . . . 0.0 110.931 -176.07 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 78.1 -5.51 54.01 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.506 -0.854 . . . . 0.0 111.359 -172.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.636 ' HG3' ' HB2' ' A' ' 53' ' ' SER . 0.1 OUTLIER -80.58 116.66 20.73 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 121.266 0.555 . . . . 0.0 109.821 178.064 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 13.2 mt -85.77 100.55 9.01 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.046 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.36 177.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.8 mt -112.42 164.76 12.89 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.25 -172.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.638 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 25.6 p -80.5 167.82 19.68 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.417 -0.81 . . . . 0.0 109.256 173.442 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.489 ' HG3' ' HE2' ' A' ' 50' ' ' TYR . 20.0 ttm-85 -61.02 -38.22 85.32 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.763 0.316 . . . . 0.0 111.532 -176.388 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.456 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 36.8 t30 -72.77 -42.99 63.38 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.626 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.638 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 4.6 m-20 -60.26 -39.28 86.26 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.636 -178.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.428 ' HE1' ' HB2' ' A' ' 52' ' ' LYS . 83.8 t80 -56.56 -40.76 75.71 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.017 -178.77 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 13.0 mm -72.15 -20.85 20.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -178.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' A' ' 60' ' ' ASN . 5.1 mtp180 -85.06 -42.95 14.35 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.728 176.721 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.05 -43.2 35.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.849 -175.035 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.486 ' CE1' ' HB3' ' A' ' 52' ' ' LYS . 88.6 m-85 -117.98 -43.17 2.77 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.049 -176.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 60.16 -111.14 3.35 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.916 -0.659 . . . . 0.0 113.127 177.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 73.19 -63.89 0.42 Allowed 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.587 0.755 . . . . 0.0 110.755 -177.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.78 119.06 38.15 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.054 175.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.03 97.87 0.95 Allowed Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.087 -178.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.622 ' HA ' ' O ' ' A' ' 95' ' ' GLY . . . -79.13 128.32 33.14 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.796 -0.202 . . . . 0.0 111.124 -176.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -117.02 82.43 0.32 Allowed Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.976 -0.63 . . . . 0.0 111.728 176.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 170.61 114.27 0.31 Allowed Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.61 -178.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.82 -16.57 21.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.978 0.418 . . . . 0.0 110.904 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 176.7 118.65 0.55 Allowed Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.198 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -138.5 -99.95 0.49 Allowed Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.41 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.545 ' H ' ' HA ' ' A' ' 83' ' ' ASP . 0.0 OUTLIER -154.52 -84.26 0.07 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 179.119 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 9.8 tpt -73.35 112.57 9.54 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 177.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 104.24 0.9 44.39 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.531 -0.842 . . . . 0.0 111.978 -176.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.2 m 67.58 -69.32 0.14 Allowed 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.242 0.617 . . . . 0.0 111.742 179.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -74.65 -38.63 42.81 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.682 -0.77 . . . . 0.0 111.209 175.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -85.06 175.7 50.19 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 111.386 -0.686 . . . . 0.0 111.386 174.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.609 ' O ' ' HB ' ' A' ' 84' ' ' VAL . 17.8 t70 -122.84 -44.25 2.21 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.563 0.22 . . . . 0.0 110.646 -179.389 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.609 ' HB ' ' O ' ' A' ' 83' ' ' ASP . 0.3 OUTLIER 160.56 -25.65 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 178.205 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.2 ttt -142.36 148.0 37.19 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.513 -1.221 . . . . 0.0 108.063 176.097 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.777 ' HB ' ' HA ' ' A' ' 90' ' ' PRO . 0.6 OUTLIER -71.43 77.2 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.216 0.531 . . . . 0.0 111.228 -175.34 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 14.9 t -89.18 -50.76 12.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.947 -177.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.9 -52.12 40.28 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.131 -178.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -131.14 105.62 14.94 Favored Pre-proline 0 C--N 1.32 -0.685 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 176.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.777 ' HA ' ' HB ' ' A' ' 86' ' ' VAL . 46.6 Cg_endo -71.72 72.63 2.47 Favored 'Trans proline' 0 C--O 1.232 0.225 0 C-N-CA 122.683 2.256 . . . . 0.0 112.3 -176.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.3 80.63 1.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.156 -178.397 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 84.1 mt -68.06 -38.63 82.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.603 178.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.71 54.64 1.33 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.577 173.428 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 176.49 -148.78 9.29 Favored Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.394 -176.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.622 ' O ' ' HA ' ' A' ' 71' ' ' ALA . . . -174.31 173.53 46.05 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.849 179.237 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -84.63 76.91 10.14 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.009 0.433 . . . . 0.0 110.754 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.713 ' HA ' ' HG3' ' A' ' 100' ' ' GLU . 1.8 t80 -78.79 63.96 3.66 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.306 0.574 . . . . 0.0 109.795 177.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.463 ' O ' ' HG2' ' A' ' 102' ' ' GLU . . . -87.44 -64.18 1.4 Allowed Glycine 0 N--CA 1.444 -0.772 0 CA-C-N 115.188 -0.914 . . . . 0.0 112.926 -173.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.714 ' HA ' ' CG ' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -109.65 7.56 24.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.332 0.587 . . . . 0.0 110.881 -176.206 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.713 ' HG3' ' HA ' ' A' ' 97' ' ' PHE . 1.1 mm-40 -60.86 -40.8 94.32 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.478 -0.783 . . . . 0.0 112.53 -177.685 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.887 ' HB3' ' HE1' ' A' ' 50' ' ' TYR . 12.9 t0 -126.11 14.26 7.85 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -174.158 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.714 ' CG ' ' HA ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -100.64 -124.76 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.561 177.806 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 64.05 23.98 13.4 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.978 0.418 . . . . 0.0 111.328 177.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.79 19.91 15.15 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.896 0.379 . . . . 0.0 110.704 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.526 HG23 HD21 ' A' ' 21' ' ' LEU . 2.5 mt -115.17 119.4 61.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.141 0.496 . . . . 0.0 110.307 175.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 40.1 m -109.95 108.96 19.41 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 174.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.03 100.65 7.09 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -171.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 34.0 mt -137.57 110.52 7.71 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.871 178.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -65.38 164.09 14.39 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.719 -178.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -57.53 -37.41 73.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.208 179.073 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 1.8 m -114.59 87.68 2.69 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.685 172.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.449 ' H ' ' HG3' ' A' ' 112' ' ' GLN . 0.0 OUTLIER -92.75 44.06 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.563 -177.738 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -86.96 -170.37 3.04 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.937 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -58.02 -48.0 81.39 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.065 0.46 . . . . 0.0 109.796 176.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -85.77 73.1 10.45 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.937 173.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -75.93 71.11 2.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.193 -176.074 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 38.3 t-20 -168.81 164.29 11.85 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.19 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -69.46 -78.93 0.32 Allowed Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.97 -0.634 . . . . 0.0 112.603 -178.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 11.6 mm 49.11 62.47 0.22 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 121.404 0.621 . . . . 0.0 110.499 -178.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -109.92 161.03 15.88 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.928 -175.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -141.17 165.08 28.51 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.533 176.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.491 -0.766 . . . . 0.0 110.764 -178.331 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.773 0 N-CA-C 112.259 -0.336 . . . . 0.0 112.259 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.06 -46.83 76.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.841 0.353 . . . . 0.0 110.098 178.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 tp -81.03 130.95 35.25 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 172.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.514 ' HB3' ' HD3' ' A' ' 14' ' ' LYS . 2.8 m -81.63 41.9 0.66 Allowed 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -174.536 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.416 ' O ' ' HD3' ' A' ' 6' ' ' LYS . 0.5 OUTLIER 46.5 -133.03 1.07 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.606 -0.724 . . . . 0.0 112.094 171.355 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.532 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -134.94 179.16 6.48 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.558 178.829 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.27 120.52 41.35 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.246 178.266 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.71 ' HB2' HG12 ' A' ' 15' ' ' ILE . 2.8 t -62.82 124.54 21.3 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.168 -177.744 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.69 2.58 29.02 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.937 178.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.889 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -88.07 -49.36 3.8 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.032 178.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.426 ' SG ' ' N ' ' A' ' 12' ' ' GLY . 21.0 p -108.67 -86.81 0.51 Allowed 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.491 177.694 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.426 ' N ' ' SG ' ' A' ' 11' ' ' CYS . . . 160.73 77.28 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 121.148 -0.548 . . . . 0.0 112.123 179.547 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -178.82 -174.85 45.39 Favored Glycine 0 N--CA 1.425 -2.083 0 N-CA-C 110.046 -1.222 . . . . 0.0 110.046 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.514 ' HD3' ' HB3' ' A' ' 4' ' ' SER . 13.3 mtmt -82.91 131.07 35.2 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-N 115.495 -0.353 . . . . 0.0 110.075 177.564 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.71 HG12 ' HB2' ' A' ' 8' ' ' CYS . 3.9 mt -78.19 90.41 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.719 -177.452 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.31 24.38 2.96 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.821 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -100.51 147.86 25.43 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.476 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.802 ' HB2' ' HB2' ' A' ' 110' ' ' ASN . 0.0 OUTLIER -86.1 -5.78 59.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.02 0.438 . . . . 0.0 110.152 177.535 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -116.94 86.25 2.47 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.299 175.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.493 ' HB2' HG21 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -114.16 169.61 8.9 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.8 -175.758 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.646 HD21 HG23 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -131.14 157.17 43.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.851 -177.427 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.716 ' HD2' HG22 ' A' ' 106' ' ' THR . 5.6 m-85 -125.83 125.44 42.88 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 175.69 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -151.89 128.05 10.48 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 121.172 -0.211 . . . . 0.0 110.942 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.58 ' HG3' HG21 ' A' ' 51' ' ' THR . 7.0 mmm 63.09 37.4 11.56 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.94 -179.497 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 59.8 17.2 6.22 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.701 -178.116 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -120.48 143.83 48.32 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 173.762 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.532 ' HB2' ' HB3' ' A' ' 6' ' ' LYS . 6.5 m-30 -95.64 150.18 20.64 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 120.67 -0.412 . . . . 0.0 109.9 -177.035 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 9.7 m95 -134.65 176.5 8.58 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.138 -174.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.41 ' HB3' ' H ' ' A' ' 30' ' ' SER . 4.3 m80 -83.6 -152.0 0.12 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.347 -0.842 . . . . 0.0 108.965 168.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.41 ' H ' ' HB3' ' A' ' 29' ' ' HIS . 0.1 OUTLIER -102.8 -54.1 2.71 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.053 0.454 . . . . 0.0 110.33 175.225 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.44 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 1.0 OUTLIER -79.22 -13.62 59.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.576 -178.48 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.889 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 82.9 m -78.36 -16.32 57.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.48 -178.288 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.623 HD22 HD22 ' A' ' 21' ' ' LEU . 16.8 tp -85.05 62.45 7.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.748 0.785 . . . . 0.0 109.721 173.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.464 ' CG ' ' HA ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -114.73 155.26 27.0 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.456 -179.66 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.448 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 45.2 t -58.91 140.0 55.92 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 123.402 0.438 . . . . 0.0 110.128 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.2 m -72.57 -5.75 39.3 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.038 0.447 . . . . 0.0 110.446 176.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.52 -41.42 2.82 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.34 -178.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.448 ' HB2' ' HB3' ' A' ' 35' ' ' CYS . 72.3 m -91.86 -30.94 15.9 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -177.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.464 ' HA ' ' CG ' ' A' ' 34' ' ' LYS . 2.2 mp0 63.74 23.81 13.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.49 -173.591 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -93.86 135.38 35.24 Favored 'General case' 0 N--CA 1.438 -1.051 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.009 175.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.65 114.86 3.52 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.813 -177.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.494 HD12 HD11 ' A' ' 45' ' ' ILE . 0.8 OUTLIER -65.65 -18.2 65.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.943 -172.848 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -91.3 -2.98 70.05 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.109 178.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -95.02 -34.37 12.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.212 0.53 . . . . 0.0 109.896 178.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.494 HD11 HD12 ' A' ' 42' ' ' LEU . 2.7 pt -89.27 55.34 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.335 177.26 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.91 -131.38 10.46 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -175.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.24 102.91 2.97 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.958 0.409 . . . . 0.0 110.264 172.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -160.37 153.92 22.32 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 178.235 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.403 ' HB3' HD23 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -161.44 133.77 5.91 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.515 ' O ' ' HA ' ' A' ' 56' ' ' ILE . 14.3 m-85 -119.53 122.94 42.76 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.857 -176.49 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.58 HG21 ' HG3' ' A' ' 24' ' ' MET . 0.2 OUTLIER -92.3 103.63 16.07 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.944 0.402 . . . . 0.0 110.932 179.845 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.64 ' O ' ' HG2' ' A' ' 55' ' ' MET . 8.5 mmtm -140.14 136.54 33.62 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.482 -179.214 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.9 m 63.42 22.34 13.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.293 -179.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 79.01 5.05 89.04 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.069 -178.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.64 ' HG2' ' O ' ' A' ' 52' ' ' LYS . 4.1 ptt? -121.61 -179.18 4.01 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 178.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.515 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -118.09 136.16 56.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.221 0.534 . . . . 0.0 110.945 179.634 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 69.5 mt -122.07 168.45 11.94 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.813 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.687 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 27.6 p -83.94 170.48 13.95 Favored 'General case' 0 N--CA 1.442 -0.833 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 173.015 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.3 tpp85 -69.17 -34.47 74.99 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.182 0.515 . . . . 0.0 109.923 177.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -66.06 -41.47 90.74 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.997 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.687 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 6.4 m-20 -77.86 -32.86 52.24 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.573 -177.122 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -52.94 -42.29 65.31 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.366 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.427 ' O ' ' HA3' ' A' ' 67' ' ' GLY . 2.1 mm -71.9 -14.0 17.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.023 0.439 . . . . 0.0 111.473 -178.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.4 mtt180 -87.67 -53.89 4.55 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.306 0.574 . . . . 0.0 109.945 175.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.543 ' HB3' ' CD1' ' A' ' 66' ' ' PHE . 0.2 OUTLIER -71.94 -48.66 43.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.912 -176.106 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.543 ' CD1' ' HB3' ' A' ' 65' ' ' LEU . 93.8 m-85 -126.83 32.53 5.11 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.921 0.391 . . . . 0.0 111.035 -175.293 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.427 ' HA3' ' O ' ' A' ' 63' ' ' ILE . . . -79.23 -19.24 72.48 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.104 179.368 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -70.37 112.02 6.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.524 0.202 . . . . 0.0 110.529 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.0 m 63.69 -99.19 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.028 -176.037 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 77.75 -62.63 3.54 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 121.014 -0.612 . . . . 0.0 111.995 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -147.76 61.13 1.14 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.45 0.643 . . . . 0.0 109.377 176.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -171.46 111.57 0.41 Allowed Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.425 -177.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -57.35 -35.29 70.79 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 121.068 -0.587 . . . . 0.0 112.897 -176.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.21 23.36 11.78 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.061 0.458 . . . . 0.0 110.723 178.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 106.13 167.14 23.08 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.911 -0.661 . . . . 0.0 111.631 -177.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.428 ' HA3' ' HE2' ' A' ' 97' ' ' PHE . . . -91.01 135.7 12.97 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.568 -0.825 . . . . 0.0 111.347 177.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -148.04 -178.54 6.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.949 0.375 . . . . 0.0 111.11 -177.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.1 mtm 61.83 27.37 16.69 Favored 'General case' 0 N--CA 1.464 0.229 0 O-C-N 123.799 0.687 . . . . 0.0 110.807 -178.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 71.85 -86.76 0.46 Allowed Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 -174.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -121.43 72.61 1.01 Allowed 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 172.591 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -107.35 36.27 4.5 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.574 -176.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.461 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -76.31 -34.85 44.49 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.984 -0.626 . . . . 0.0 112.787 -179.362 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -67.99 -20.93 65.07 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.344 0.592 . . . . 0.0 110.658 179.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -92.53 -13.52 8.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.733 178.129 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.93 -43.87 6.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.381 -177.339 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.488 ' HA ' ' HG3' ' A' ' 89' ' ' GLU . 4.4 t -79.29 66.42 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.502 0.668 . . . . 0.0 110.771 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -128.04 85.25 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.554 178.451 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 107.18 17.86 11.09 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.826 -0.702 . . . . 0.0 111.875 -174.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.488 ' HG3' ' HA ' ' A' ' 86' ' ' VAL . 7.5 mm-40 -99.79 170.87 6.21 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 178.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.459 ' HD2' ' HB3' ' A' ' 89' ' ' GLU . 51.2 Cg_exo -56.7 -32.1 89.86 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 122.376 2.051 . . . . 0.0 111.866 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.402 ' HB ' HG11 ' A' ' 86' ' ' VAL . 0.1 OUTLIER -73.32 114.58 11.68 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.248 174.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.6 mt -75.65 -34.79 60.52 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.286 -177.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.68 100.6 8.15 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.777 176.366 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -89.49 69.37 2.53 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.837 -0.696 . . . . 0.0 111.939 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.575 ' O ' ' HB3' ' A' ' 101' ' ' ASP . . . -80.3 -42.16 10.87 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.15 -178.401 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -57.83 134.21 56.09 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 123.629 0.253 . . . . 0.0 111.041 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.428 ' HE2' ' HA3' ' A' ' 76' ' ' GLY . 0.1 OUTLIER 64.52 13.26 8.06 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.405 -178.312 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.555 ' O ' ' HB3' ' A' ' 99' ' ' ASP . . . -90.6 7.4 81.4 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.008 179.571 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.555 ' HB3' ' O ' ' A' ' 98' ' ' GLY . 5.8 t70 79.21 -40.06 0.23 Allowed 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.624 0.769 . . . . 0.0 111.108 -178.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -92.06 21.56 4.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.82 0.343 . . . . 0.0 110.95 177.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.575 ' HB3' ' O ' ' A' ' 95' ' ' GLY . 12.3 p-10 -85.05 -19.41 32.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.463 177.402 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.428 ' HG3' ' H ' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -85.09 -116.67 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 172.93 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.428 ' H ' ' HB2' ' A' ' 102' ' ' GLU . 0.1 OUTLIER 45.0 43.86 7.61 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.162 0.506 . . . . 0.0 111.553 175.819 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.6 mt -102.73 -3.47 26.42 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.937 -176.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.646 HG23 HD21 ' A' ' 21' ' ' LEU . 17.6 mt -77.97 93.35 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-O 121.459 0.647 . . . . 0.0 110.971 -179.634 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.716 HG22 ' HD2' ' A' ' 22' ' ' TYR . 97.9 m -101.15 86.68 3.07 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 175.294 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.451 ' H ' ' HG3' ' A' ' 107' ' ' ARG . 0.0 OUTLIER -93.21 143.48 26.22 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.287 -171.15 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.498 ' HB2' ' CE2' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -138.94 103.93 4.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.61 178.741 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.562 ' HB2' ' HG2' ' A' ' 112' ' ' GLN . 1.5 mp0 -97.57 158.3 15.56 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.106 178.322 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.802 ' HB2' ' HB2' ' A' ' 18' ' ' ARG . 9.1 t-20 -59.3 107.56 0.58 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.817 -178.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' THR . . . . . 1.003 ' HB ' ' HA ' ' A' ' 115' ' ' ALA . 0.5 OUTLIER 71.33 -37.23 0.39 Allowed 'General case' 0 CA--C 1.538 0.519 0 O-C-N 123.778 0.674 . . . . 0.0 112.061 -177.537 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.562 ' HG2' ' HB2' ' A' ' 109' ' ' GLU . 2.1 mt-30 66.2 -85.35 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 123.485 0.714 . . . . 0.0 111.378 178.302 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -73.75 109.64 7.42 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 177.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 27.0 t0 62.46 63.05 1.06 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.591 -172.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 1.003 ' HA ' ' HB ' ' A' ' 111' ' ' THR . . . -62.08 132.77 53.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.118 -0.947 . . . . 0.0 111.674 -174.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -78.81 -44.66 22.63 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 175.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 30.2 t30 57.36 41.64 26.12 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.142 -0.936 . . . . 0.0 111.713 175.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -95.21 52.01 1.86 Allowed Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.558 -0.83 . . . . 0.0 111.562 176.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.436 ' O ' ' HD2' ' A' ' 18' ' ' ARG . 6.9 mt 72.55 -60.18 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 123.303 0.641 . . . . 0.0 110.802 -175.445 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -127.73 171.71 11.46 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 173.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.455 ' N ' HD21 ' A' ' 110' ' ' ASN . 1.1 t70 -81.72 91.98 6.54 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.053 0.454 . . . . 0.0 110.726 -178.375 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.398 -0.811 . . . . 0.0 110.477 -177.933 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.829 0 N-CA-C 111.927 -0.469 . . . . 0.0 111.927 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.451 ' HB2' ' H ' ' A' ' 3' ' ' LEU . 3.0 m 52.57 -106.07 0.27 Allowed 'General case' 0 C--O 1.234 0.258 0 C-N-CA 122.825 0.45 . . . . 0.0 111.282 179.152 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.451 ' H ' ' HB2' ' A' ' 2' ' ' SER . 0.1 OUTLIER 69.15 138.07 0.04 OUTLIER 'General case' 0 C--O 1.234 0.238 0 C-N-CA 123.282 0.633 . . . . 0.0 111.885 176.934 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.2 m -69.14 121.03 15.93 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 173.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.534 ' HB2' ' HE3' ' A' ' 14' ' ' LYS . 1.7 p-90 -60.43 127.6 32.55 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.345 0.593 . . . . 0.0 111.116 -172.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.35 116.2 25.28 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.494 -178.555 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.41 ' HD3' ' O ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -102.96 139.93 37.88 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.754 0.312 . . . . 0.0 110.788 -175.782 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.597 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -89.65 141.23 28.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.866 -177.933 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.86 7.85 41.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.599 -177.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.919 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -108.91 -69.13 0.64 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.422 -0.894 . . . . 0.0 111.882 178.737 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.439 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -86.83 -7.83 57.87 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 171.062 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.597 ' HA2' ' O ' ' A' ' 8' ' ' CYS . . . 62.44 59.24 9.66 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 121.301 -0.476 . . . . 0.0 113.223 172.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -132.31 -160.7 9.75 Favored Glycine 0 N--CA 1.428 -1.848 0 C-N-CA 120.5 -0.857 . . . . 0.0 111.314 176.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.534 ' HE3' ' HB2' ' A' ' 5' ' ' TRP . 20.9 tttt -101.66 118.5 37.07 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-N 115.078 -0.561 . . . . 0.0 110.385 179.482 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.683 HG23 ' CD2' ' A' ' 29' ' ' HIS . 0.1 OUTLIER -97.9 91.47 2.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.456 178.084 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.66 27.42 3.46 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.54 0.686 . . . . 0.0 109.575 176.001 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.18 152.16 20.58 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.477 -177.411 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.454 HH11 ' HB2' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -78.87 -33.68 45.58 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.673 0.749 . . . . 0.0 109.306 176.376 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.699 ' HA ' ' HB3' ' A' ' 109' ' ' GLU . 0.6 OUTLIER -88.12 97.26 10.89 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.675 -1.148 . . . . 0.0 109.76 179.299 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.724 ' O ' ' HA ' ' A' ' 108' ' ' LEU . 0.0 OUTLIER -159.27 159.03 33.6 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 120.337 -0.545 . . . . 0.0 111.296 -177.943 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.629 HD13 HD21 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -109.09 156.33 19.92 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.173 0.511 . . . . 0.0 111.433 -176.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.456 ' CD1' ' N ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -132.11 131.61 42.5 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.252 178.363 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -153.19 134.24 14.04 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.899 -0.137 . . . . 0.0 111.046 178.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.541 ' HG3' HG21 ' A' ' 51' ' ' THR . 69.0 mmm 64.12 35.63 10.22 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 123.574 0.546 . . . . 0.0 111.067 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.84 23.55 11.41 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.943 -176.005 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.27 145.17 50.12 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.265 -0.88 . . . . 0.0 108.736 174.699 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.434 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 6.5 m-85 -101.77 159.43 15.33 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-O 120.793 0.33 . . . . 0.0 110.447 -175.287 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.717 ' HE3' ' HB2' ' A' ' 32' ' ' CYS . 18.1 m95 -141.11 166.26 25.26 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.199 -174.197 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.797 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 52.2 m80 -86.73 -126.58 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 170.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.1 m -109.01 -41.1 4.81 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.902 173.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.7 1.32 43.28 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -170.455 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.919 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 0.0 OUTLIER -78.85 -46.24 19.04 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 122.026 -0.421 . . . . 0.0 111.369 -177.179 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.629 HD21 HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -93.3 121.63 34.87 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.363 0.601 . . . . 0.0 110.082 178.221 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.542 ' HG3' ' HA ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -165.33 165.96 19.03 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.967 -1.015 . . . . 0.0 108.737 -175.13 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.635 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 43.2 t -61.99 143.0 57.15 Favored 'General case' 0 N--CA 1.443 -0.791 0 O-C-N 123.291 0.37 . . . . 0.0 110.052 178.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.97 -24.33 65.14 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.771 178.389 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.69 -46.25 3.85 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.635 ' HB2' ' HB3' ' A' ' 35' ' ' CYS . 96.9 m -71.1 -39.71 71.95 Favored 'General case' 0 CA--C 1.521 -0.137 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.628 -179.435 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.542 ' HA ' ' HG3' ' A' ' 34' ' ' LYS . 76.0 mm-40 62.29 25.29 15.1 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.707 -178.629 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.417 ' O ' ' HB2' ' A' ' 34' ' ' LYS . . . -100.73 157.12 16.93 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.823 177.174 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.81 103.55 0.36 Allowed 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.689 -179.092 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 42' ' ' LEU . 3.8 mt -70.85 -1.64 12.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.678 -176.183 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -109.84 6.71 31.22 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.692 -0.766 . . . . 0.0 111.797 176.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -111.12 -58.8 2.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.035 0.445 . . . . 0.0 111.2 -177.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -82.32 49.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.24 0.543 . . . . 0.0 111.051 -179.095 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 100.6 112.55 3.48 Favored Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -175.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.703 HG22 HG21 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -77.99 105.3 9.1 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.299 0.571 . . . . 0.0 111.176 -174.042 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.71 158.72 35.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.348 178.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.55 ' O ' ' HA ' ' A' ' 102' ' ' GLU . 0.1 OUTLIER -149.9 154.88 39.06 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.733 0.301 . . . . 0.0 110.95 -177.553 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.528 ' HE2' ' HA ' ' A' ' 59' ' ' ARG . 5.2 m-85 -137.4 104.89 5.5 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.94 178.561 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.541 HG21 ' HG3' ' A' ' 24' ' ' MET . 0.2 OUTLIER -98.15 102.55 14.32 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.042 -177.615 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -155.04 138.8 16.17 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.649 178.018 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.3 m 62.88 28.35 16.34 Favored 'General case' 0 C--N 1.332 -0.173 0 O-C-N 123.473 0.483 . . . . 0.0 111.438 -178.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.95 18.08 66.17 Favored Glycine 0 C--N 1.332 0.344 0 C-N-CA 120.92 -0.657 . . . . 0.0 111.965 -177.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.2 mtm -115.54 170.35 8.49 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.827 0.346 . . . . 0.0 110.652 -176.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.421 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 0.8 OUTLIER -136.39 116.73 17.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.055 177.554 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 mt -127.33 168.7 14.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.118 -173.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.658 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 26.2 p -87.76 178.97 6.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.918 175.638 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.528 ' HA ' ' HE2' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -61.25 -49.54 76.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.804 0.335 . . . . 0.0 110.708 178.722 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -65.43 -44.35 87.63 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.059 -178.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.658 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 0.6 OUTLIER -71.42 -31.84 67.7 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.625 -176.669 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.51 ' OH ' ' HA3' ' A' ' 98' ' ' GLY . 54.4 t80 -61.17 -38.33 86.11 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.017 0.437 . . . . 0.0 110.142 175.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.647 HD12 ' HB2' ' A' ' 68' ' ' ASN . 10.6 mm -68.68 -27.14 34.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.704 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.404 ' HE ' ' HA ' ' A' ' 61' ' ' ASP . 0.8 OUTLIER -80.71 -29.63 36.39 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.47 175.863 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.31 -53.88 6.82 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.958 -178.064 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -121.95 -43.96 2.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.079 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.21 -169.18 13.39 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.523 -0.846 . . . . 0.0 113.117 177.079 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.647 ' HB2' HD12 ' A' ' 63' ' ' ILE . 0.2 OUTLIER -172.4 106.55 0.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 -179.188 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.547 ' HB2' ' HA3' ' A' ' 76' ' ' GLY . 0.0 OUTLIER -76.61 -3.28 36.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.899 0.38 . . . . 0.0 111.574 -174.323 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 136.21 -143.85 15.41 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.182 178.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -157.52 154.43 28.62 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.768 0.318 . . . . 0.0 110.583 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 98.72 32.48 5.93 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.302 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.693 ' HA3' ' HB3' ' A' ' 93' ' ' MET . . . 151.12 160.5 9.47 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.672 -0.775 . . . . 0.0 111.802 -179.348 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.96 162.71 16.72 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.822 0.344 . . . . 0.0 111.088 -178.211 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.445 ' HA2' HG23 ' A' ' 87' ' ' VAL . . . 82.54 -107.45 2.84 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 121.113 -0.565 . . . . 0.0 112.477 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.547 ' HA3' ' HB2' ' A' ' 69' ' ' SER . . . 111.46 169.89 18.82 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.371 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -146.47 -35.68 0.26 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.627 0.251 . . . . 0.0 110.452 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 27.2 tpp -164.59 120.64 1.5 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.43 179.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -152.93 -122.1 0.9 Allowed Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.125 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.46 -45.5 45.81 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.888 0.375 . . . . 0.0 110.972 -178.687 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.443 ' HA3' ' CG2' ' A' ' 63' ' ' ILE . . . -160.98 157.62 29.15 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.086 179.435 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 122.83 -138.47 11.79 Favored Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 120.589 -0.815 . . . . 0.0 111.686 -178.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -169.43 -164.19 0.44 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.625 0.25 . . . . 0.0 110.346 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.401 ' H ' HG22 ' A' ' 84' ' ' VAL . 1.2 m -72.33 -16.85 18.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.189 177.757 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 6.8 tpt -121.26 87.82 2.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.75 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.07 -40.43 4.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.358 177.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.545 HG13 ' HE1' ' A' ' 97' ' ' PHE . 0.0 OUTLIER -145.19 173.25 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.798 177.23 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -62.74 128.76 41.09 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.606 -0.807 . . . . 0.0 111.841 177.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 66.52 96.35 0.05 OUTLIER Pre-proline 0 C--O 1.235 0.31 0 CA-C-O 121.267 0.556 . . . . 0.0 111.015 -177.074 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -76.79 67.17 7.44 Favored 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 123.307 2.671 . . . . 0.0 112.406 -178.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.8 m -63.05 120.52 11.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.611 178.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.5 ' H ' ' HG ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -83.26 56.92 3.72 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.067 0.461 . . . . 0.0 110.84 -177.165 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.693 ' HB3' ' HA3' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -104.35 -40.13 6.21 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.903 -179.161 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -161.84 -77.56 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.66 178.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.525 ' HA3' ' HB2' ' A' ' 69' ' ' SER . . . 129.53 44.27 0.19 Allowed Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.736 177.663 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.421 ' HA ' ' OD1' ' A' ' 99' ' ' ASP . 0.3 OUTLIER -61.26 119.16 7.92 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 178.539 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.6 ' HB3' ' HA ' ' A' ' 68' ' ' ASN . 1.6 t80 -149.15 41.96 0.92 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.3 -174.253 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.51 ' HA3' ' OH ' ' A' ' 62' ' ' TYR . . . 95.6 18.77 31.67 Favored Glycine 0 C--N 1.319 -0.411 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.167 179.329 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.421 ' OD1' ' HA ' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -57.02 -56.56 20.15 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.838 0.351 . . . . 0.0 110.865 179.134 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -91.83 35.67 0.97 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.991 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -87.41 -10.43 52.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.17 0.509 . . . . 0.0 110.077 177.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.55 ' HA ' ' O ' ' A' ' 49' ' ' SER . 0.0 OUTLIER -77.94 -152.48 0.05 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.1 -178.936 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.514 ' H ' ' HB2' ' A' ' 102' ' ' GLU . 0.1 OUTLIER 54.88 43.5 29.86 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.32 0.581 . . . . 0.0 110.346 -178.452 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.56 -6.22 15.45 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.547 -175.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.703 HG21 HG22 ' A' ' 47' ' ' THR . 6.2 mt -84.58 122.11 37.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 120.974 0.416 . . . . 0.0 111.49 -177.412 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.08 108.52 20.35 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 167.369 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.61 163.25 27.38 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 114.584 1.327 . . . . 0.0 114.584 -163.397 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.798 HD13 ' H ' ' A' ' 108' ' ' LEU . 0.0 OUTLIER -63.66 -163.88 0.01 OUTLIER 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 111.373 -2.649 . . . . 0.0 112.877 -177.051 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.699 ' HB3' ' HA ' ' A' ' 19' ' ' PHE . 16.3 pm0 -52.58 157.81 1.45 Allowed 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 113.85 -1.523 . . . . 0.0 113.845 -166.235 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.84 -26.63 68.25 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 113.525 -1.67 . . . . 0.0 110.584 175.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.545 ' HA ' ' O ' ' A' ' 114' ' ' ASP . 1.5 m -71.81 2.88 4.75 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.232 -0.895 . . . . 0.0 112.069 -178.681 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.54 -19.37 60.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.104 0.478 . . . . 0.0 109.932 174.768 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.34 -76.58 0.41 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.693 176.457 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.545 ' O ' ' HA ' ' A' ' 111' ' ' THR . 2.1 t0 -115.78 169.34 9.29 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.327 173.485 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.476 ' HA ' ' CG2' ' A' ' 111' ' ' THR . . . -80.53 51.16 1.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.227 0.537 . . . . 0.0 111.433 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -101.47 151.6 21.75 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.67 176.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -86.6 113.34 22.41 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 175.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -68.82 136.62 29.37 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.824 -175.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.466 ' H ' HG13 ' A' ' 119' ' ' ILE . 1.0 OUTLIER -117.18 -16.97 7.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.755 0.312 . . . . 0.0 110.976 178.865 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.15 -31.51 58.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.171 0.51 . . . . 0.0 110.177 179.029 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.59 160.42 23.82 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.67 173.733 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.251 1.132 0 CA-C-O 118.338 -0.839 . . . . 0.0 110.553 -179.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.825 0 N-CA-C 112.031 -0.428 . . . . 0.0 112.031 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.523 ' HB3' ' HD2' ' A' ' 6' ' ' LYS . 0.7 OUTLIER -97.25 -31.31 12.49 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.724 0.262 . . . . 0.0 110.591 179.341 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.482 ' HB3' ' H ' ' A' ' 4' ' ' SER . 0.2 OUTLIER 58.44 -147.44 0.5 Allowed 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.845 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.482 ' H ' ' HB3' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -77.84 -35.1 51.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.418 0.628 . . . . 0.0 110.342 179.504 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.72 ' HZ3' ' H ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -146.83 119.79 8.75 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.765 -179.655 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.523 ' HD2' ' HB3' ' A' ' 2' ' ' SER . 0.0 OUTLIER -80.19 67.73 6.1 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 175.229 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.596 ' HD3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -64.82 -174.15 0.13 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.521 -1.218 . . . . 0.0 112.424 -173.073 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.545 ' HB2' HG12 ' A' ' 15' ' ' ILE . 8.1 t -56.75 147.17 23.66 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.412 0.625 . . . . 0.0 111.375 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -116.26 12.09 15.29 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.398 174.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.607 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -103.18 -31.47 5.0 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.447 -0.797 . . . . 0.0 113.13 -176.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.1 p -123.1 -115.26 0.3 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 117.126 0.463 . . . . 0.0 111.789 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -96.28 -53.66 1.45 Allowed Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.885 -0.598 . . . . 0.0 113.19 -175.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -174.26 -105.78 0.19 Allowed Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 119.891 -1.147 . . . . 0.0 113.611 -177.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -55.3 138.05 46.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.299 0.571 . . . . 0.0 111.893 -173.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.72 ' H ' ' HZ3' ' A' ' 5' ' ' TRP . 8.7 mt -90.89 130.87 39.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.957 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.84 -0.91 53.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.836 -174.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.445 ' HA ' HD22 ' A' ' 117' ' ' ASN . 5.2 m-20 -79.17 156.48 28.2 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 176.331 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.0 ttp-105 -70.33 -31.98 69.51 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 175.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.689 ' HB2' ' HG2' ' A' ' 109' ' ' GLU . 6.2 m-85 -119.41 -153.06 0.52 Allowed 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 114.216 -1.356 . . . . 0.0 108.425 174.565 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.693 ' HG ' ' HB3' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -158.99 -179.03 7.68 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.215 0.531 . . . . 0.0 112.142 178.183 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.882 HD22 HD13 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -105.2 152.45 22.82 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 170.409 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.464 ' CD2' ' CE1' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -118.09 126.79 52.94 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.42 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.463 ' HB2' HD11 ' A' ' 33' ' ' LEU . . . -152.41 130.91 12.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 123.179 0.3 . . . . 0.0 111.018 178.089 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.0 mtt 59.93 38.4 21.06 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.043 -179.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 65.15 8.06 4.55 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.999 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.07 163.73 15.2 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 175.33 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.693 ' HB3' ' HG ' ' A' ' 20' ' ' LEU . 12.5 m-30 -102.54 148.37 25.63 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.352 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.47 ' CB ' HD12 ' A' ' 33' ' ' LEU . 35.7 m95 -136.26 175.19 9.83 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.229 -170.355 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.703 ' HB2' ' HB2' ' A' ' 32' ' ' CYS . 3.2 m80 -88.11 173.21 8.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.542 -1.208 . . . . 0.0 108.678 168.277 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.57 -45.56 37.06 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.191 0.519 . . . . 0.0 110.061 174.51 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.539 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 9.0 ttt-85 -83.69 -16.3 45.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.717 -177.746 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.703 ' HB2' ' HB2' ' A' ' 29' ' ' HIS . 34.6 m -79.76 -20.08 47.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.993 0.425 . . . . 0.0 110.402 178.292 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.882 HD13 HD22 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -88.76 25.22 1.81 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.186 173.864 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.587 ' HD3' ' H ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -67.44 165.88 15.73 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.605 178.072 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.576 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 43.9 t -64.35 138.5 58.46 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.699 174.292 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.7 m -76.86 -4.09 41.94 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.19 0.519 . . . . 0.0 109.877 175.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.2 -43.09 3.25 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.29 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.576 ' HB2' ' HB3' ' A' ' 35' ' ' CYS . 96.2 m -85.52 -31.05 22.94 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.431 0.158 . . . . 0.0 110.95 178.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 63.46 19.87 11.93 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.347 -172.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.52 141.7 33.01 Favored 'General case' 0 N--CA 1.437 -1.108 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.713 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.504 ' HG2' ' HA ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -55.18 109.91 0.6 Allowed 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 114.357 -1.292 . . . . 0.0 111.01 -177.525 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.671 ' O ' HG12 ' A' ' 45' ' ' ILE . 0.3 OUTLIER -76.36 -21.99 55.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.792 -178.435 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.93 -26.55 74.2 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.544 -0.836 . . . . 0.0 111.821 175.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -61.16 -30.0 70.13 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 122.695 0.398 . . . . 0.0 111.521 -179.229 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.671 HG12 ' O ' ' A' ' 42' ' ' LEU . 8.5 pt -79.34 -10.74 12.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.242 -179.327 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.58 10.47 67.01 Favored Glycine 0 C--N 1.331 0.28 0 CA-C-N 116.025 -0.534 . . . . 0.0 113.429 174.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.603 ' H ' HG13 ' A' ' 45' ' ' ILE . 0.3 OUTLIER -120.85 167.52 12.44 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.456 ' HA ' ' HB ' ' A' ' 105' ' ' ILE . 2.9 m -78.43 152.99 31.86 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.5 0.667 . . . . 0.0 111.828 -177.362 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.553 ' HB3' HD23 ' A' ' 42' ' ' LEU . 2.8 p -97.97 -179.62 4.47 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.543 -176.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.573 ' HE2' ' HD3' ' A' ' 59' ' ' ARG . 15.9 m-85 -120.02 143.85 47.85 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.144 176.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -120.04 114.08 21.47 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.488 -175.431 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.427 ' O ' ' HG2' ' A' ' 55' ' ' MET . 2.2 tttp -155.73 145.41 21.19 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 175.434 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.2 m 65.0 19.87 11.97 Favored 'General case' 0 N--CA 1.464 0.273 0 O-C-N 123.571 0.544 . . . . 0.0 111.207 -177.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 70.42 11.44 68.13 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.123 -178.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.427 ' HG2' ' O ' ' A' ' 52' ' ' LYS . 2.6 ptp -112.67 166.61 11.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.874 0.369 . . . . 0.0 110.307 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.8 mm -104.5 123.69 58.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.074 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -113.18 142.68 45.5 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -177.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.659 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 28.5 p -80.56 165.23 22.29 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 169.538 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.573 ' HD3' ' HE2' ' A' ' 50' ' ' TYR . 7.6 tpp180 -59.31 -42.57 91.67 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.974 0.416 . . . . 0.0 110.278 -179.217 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.421 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -63.13 -47.98 80.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.883 178.688 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.659 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 17.2 m-20 -73.07 -33.62 65.76 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-O 120.569 0.223 . . . . 0.0 111.444 -175.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -58.41 -37.7 75.88 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.951 177.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.482 HG12 ' CE1' ' A' ' 97' ' ' PHE . 95.0 mt -66.35 -41.32 88.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.397 179.023 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 64' ' ' ARG . 10.6 mtp-105 -68.4 -30.54 69.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.997 0.427 . . . . 0.0 110.679 177.472 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.423 ' HB3' ' CD2' ' A' ' 66' ' ' PHE . 1.1 mm? -84.68 -59.6 2.31 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.739 -174.466 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.423 ' CD2' ' HB3' ' A' ' 65' ' ' LEU . 3.5 m-85 -134.32 -36.83 0.88 Allowed 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -174.698 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.548 ' HA2' ' HB2' ' A' ' 96' ' ' GLU . . . -65.95 90.29 0.13 Allowed Glycine 0 C--N 1.33 0.233 0 O-C-N 123.356 0.41 . . . . 0.0 114.0 -173.745 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.429 ' HA ' ' CD2' ' A' ' 97' ' ' PHE . 1.0 OUTLIER -179.11 -72.24 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.435 0.636 . . . . 0.0 109.856 176.699 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.0 m -156.38 44.93 0.42 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.167 -0.924 . . . . 0.0 108.992 177.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -114.86 -65.26 0.41 Allowed Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.958 -175.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.553 ' H ' ' HG2' ' A' ' 96' ' ' GLU . . . 59.21 -152.85 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 122.57 0.348 . . . . 0.0 111.053 -178.269 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -86.82 -41.75 6.64 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.269 177.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -143.5 173.36 24.48 Favored Glycine 0 N--CA 1.445 -0.763 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 176.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.436 ' HB2' ' H ' ' A' ' 75' ' ' GLY . 2.1 m 55.9 -105.21 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 122.476 0.31 . . . . 0.0 110.635 -177.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.436 ' H ' ' HB2' ' A' ' 74' ' ' SER . . . -156.13 -176.59 28.42 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.016 176.337 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -96.45 145.5 17.86 Favored Glycine 0 N--CA 1.448 -0.53 0 N-CA-C 111.497 -0.641 . . . . 0.0 111.497 178.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -160.18 35.06 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.69 0.281 . . . . 0.0 110.722 -175.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.582 ' HB2' ' HA3' ' A' ' 95' ' ' GLY . 9.9 tpt -90.24 -61.28 1.72 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.856 0.36 . . . . 0.0 110.815 -177.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 172.41 -151.23 14.0 Favored Glycine 0 N--CA 1.439 -1.113 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 56.8 m 54.11 39.81 31.03 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.95 0.405 . . . . 0.0 111.342 178.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.11 -112.33 3.48 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.125 -178.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.3 -76.76 2.17 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.15 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -137.88 155.09 49.32 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 176.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.4 t -66.59 -50.51 65.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.141 0.496 . . . . 0.0 110.651 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.9 ttm -120.71 95.58 4.77 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.489 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 15.6 m -85.16 39.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.251 0.548 . . . . 0.0 111.063 179.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.444 HG22 ' H ' ' A' ' 87' ' ' VAL . 0.0 OUTLIER -70.76 156.07 7.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.895 178.824 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 114.54 -35.72 4.3 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.793 -0.717 . . . . 0.0 111.741 -178.173 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -128.39 91.07 44.99 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 120.721 0.296 . . . . 0.0 110.403 177.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -79.14 -4.4 13.81 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 123.028 2.485 . . . . 0.0 112.343 -178.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.38 84.15 6.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.38 77.94 9.72 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.107 0.479 . . . . 0.0 110.486 -179.371 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -111.57 23.91 13.38 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.713 -177.729 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 127.86 -172.97 18.92 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.946 -0.645 . . . . 0.0 111.56 -177.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.582 ' HA3' ' HB2' ' A' ' 78' ' ' MET . . . 176.54 -164.62 34.43 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.226 179.341 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.553 ' HG2' ' H ' ' A' ' 71' ' ' ALA . 0.0 OUTLIER -99.63 -47.22 5.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.087 0.47 . . . . 0.0 110.058 178.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.482 ' CE1' HG12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -69.63 135.04 49.44 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.005 177.602 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.44 -81.14 1.75 Allowed Glycine 0 N--CA 1.445 -0.754 0 N-CA-C 110.34 -1.104 . . . . 0.0 110.34 -171.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.3 t0 64.32 155.01 0.06 Allowed 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.617 0.723 . . . . 0.0 112.713 171.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -100.26 -3.22 31.88 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.281 171.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.444 ' HB3' ' HD1' ' A' ' 50' ' ' TYR . 4.4 t0 -69.95 -17.03 63.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.601 -178.323 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.81 73.42 1.57 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.45 0.643 . . . . 0.0 109.742 176.243 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -172.5 29.1 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 -178.403 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.6 tp -101.5 -4.2 27.2 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.755 -1.111 . . . . 0.0 111.582 -172.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.688 HG23 HD21 ' A' ' 21' ' ' LEU . 16.1 mt -110.69 89.05 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.822 0.82 . . . . 0.0 110.828 177.43 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.461 ' O ' ' HD1' ' A' ' 22' ' ' TYR . 21.8 m -95.8 105.83 17.89 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.831 -1.077 . . . . 0.0 108.945 175.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.45 ' HB2' ' HG ' ' A' ' 21' ' ' LEU . 6.9 tpt180 -130.58 116.2 17.81 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.246 0.546 . . . . 0.0 111.551 -174.361 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.0 159.93 42.98 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.04 171.568 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.689 ' HG2' ' HB2' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -140.77 169.97 16.64 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 -176.265 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -49.05 101.55 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.528 0 O-C-N 123.517 0.51 . . . . 0.0 111.56 -177.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 57.03 26.95 12.56 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.575 -178.218 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -140.11 162.23 35.74 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.382 -179.415 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.441 ' HD1' ' HA ' ' A' ' 113' ' ' PHE . 2.6 m-30 -94.14 -40.02 10.26 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 175.236 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -146.75 104.0 3.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.333 -0.848 . . . . 0.0 109.779 175.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -84.25 161.84 20.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.79 0.329 . . . . 0.0 110.42 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.96 19.46 13.88 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.733 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.445 HD22 ' HA ' ' A' ' 17' ' ' ASP . 21.9 t-20 66.63 94.81 0.06 Allowed 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.093 -179.579 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -127.11 76.96 0.4 Allowed Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.029 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.436 ' H ' HG13 ' A' ' 119' ' ' ILE . 2.3 mt -70.27 116.38 11.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.0 0.429 . . . . 0.0 111.41 -177.584 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -128.38 -79.3 0.57 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 176.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.56 -42.78 17.89 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 172.26 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 . . . . . 0 C--O 1.252 1.2 0 CA-C-O 117.881 -1.057 . . . . 0.0 109.528 175.781 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.84 0 N-CA-C 111.732 -0.547 . . . . 0.0 111.732 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 54.11 38.35 28.9 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 122.903 0.481 . . . . 0.0 111.948 177.403 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.82 -31.9 40.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 0.0 110.852 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.532 ' HB2' ' HD2' ' A' ' 6' ' ' LYS . 0.7 OUTLIER -91.12 141.69 28.55 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.47 179.403 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.798 ' HE3' ' HD2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -75.05 -44.81 45.59 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.123 -178.354 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.694 ' HE2' ' CE1' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 69.99 165.78 0.28 Allowed 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.73 0.644 . . . . 0.0 110.882 -178.411 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.0 165.93 26.76 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.273 179.246 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.459 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 10.7 t -71.25 142.38 50.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.255 0.55 . . . . 0.0 111.762 -176.528 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -107.16 -0.15 22.96 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.352 172.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.885 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -92.07 -40.65 5.14 Favored Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.212 179.367 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.461 ' SG ' ' N ' ' A' ' 12' ' ' GLY . 26.4 p -120.14 -88.03 0.63 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.718 0.294 . . . . 0.0 110.413 175.337 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.461 ' N ' ' SG ' ' A' ' 11' ' ' CYS . . . 162.27 107.1 0.21 Allowed Glycine 0 N--CA 1.444 -0.775 0 N-CA-C 111.675 -0.57 . . . . 0.0 111.675 178.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 156.45 139.97 2.86 Favored Glycine 0 N--CA 1.437 -1.244 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -177.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.798 ' HD2' ' HE3' ' A' ' 5' ' ' TRP . 6.7 mmtp -60.75 131.91 52.21 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.56 HD12 ' HB3' ' A' ' 27' ' ' TYR . 1.1 mt -93.74 105.97 17.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.143 0.497 . . . . 0.0 111.75 -172.415 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.497 ' HB2' ' CH2' ' A' ' 5' ' ' TRP . . . -108.39 23.05 15.09 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.892 176.244 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.08 139.89 50.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.058 -178.105 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -68.9 -41.49 78.2 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 174.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.685 ' HA ' ' HG2' ' A' ' 109' ' ' GLU . 12.0 m-85 -112.3 107.87 16.86 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.008 178.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -143.75 154.07 43.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.399 0.618 . . . . 0.0 111.805 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.785 HD21 HG23 ' A' ' 105' ' ' ILE . 1.1 tt -113.37 148.86 34.96 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.111 -0.95 . . . . 0.0 108.921 177.398 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.636 ' HB2' ' O ' ' A' ' 26' ' ' SER . 27.7 p90 -151.8 157.26 41.71 Favored 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 119.988 -0.685 . . . . 0.0 112.017 179.63 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.86 160.53 41.27 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.085 -178.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 4.2 mtp 62.45 28.85 17.0 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 123.342 0.401 . . . . 0.0 111.056 177.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 69.93 -0.11 2.85 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.206 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.636 ' O ' ' HB2' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -110.08 157.55 19.22 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 176.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.694 ' CE1' ' HE2' ' A' ' 6' ' ' LYS . 6.7 m-30 -90.33 157.02 17.85 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.025 0.441 . . . . 0.0 110.377 179.133 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.53 ' CE3' ' HA ' ' A' ' 33' ' ' LEU . 61.5 m95 -142.91 173.9 11.14 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.756 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 35.5 m80 -103.19 158.45 16.31 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 164.489 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.74 -44.07 66.19 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -174.388 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.43 -4.51 45.02 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 121.253 -0.179 . . . . 0.0 111.372 179.353 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.885 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 20.1 m -79.64 -35.7 38.98 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 176.109 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.53 ' HA ' ' CE3' ' A' ' 28' ' ' TRP . 31.9 tp -68.32 -70.21 0.28 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 175.636 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.8 ' HG3' ' HA ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER 50.05 -174.13 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 115.028 -0.987 . . . . 0.0 113.277 172.117 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.617 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 51.5 t -98.34 143.25 29.01 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.002 175.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.7 m -74.53 -7.09 51.95 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.94 0.4 . . . . 0.0 110.404 177.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.491 ' HB2' ' OD2' ' A' ' 61' ' ' ASP . 0.1 OUTLIER -117.7 -43.68 2.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.273 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.617 ' HB2' ' HB3' ' A' ' 35' ' ' CYS . 93.8 m -79.86 -45.67 18.25 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.981 -0.288 . . . . 0.0 110.649 177.661 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.8 ' HA ' ' HG3' ' A' ' 34' ' ' LYS . 47.8 mt-30 65.71 18.97 11.34 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.068 -177.571 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.15 -154.54 0.48 Allowed 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.539 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.472 ' HB3' ' HB2' ' A' ' 44' ' ' ASP . 2.2 tp-100 -83.99 97.61 9.36 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.027 0.441 . . . . 0.0 110.244 178.371 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.44 HD12 HD11 ' A' ' 45' ' ' ILE . 19.8 tp -61.99 -25.3 67.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.191 -177.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -92.54 5.1 77.09 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.84 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.472 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . 11.5 t70 -100.51 -12.8 19.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.2 0.524 . . . . 0.0 110.912 -179.113 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.522 HG13 ' H ' ' A' ' 45' ' ' ILE . 0.4 OUTLIER -105.14 36.78 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.984 178.181 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 99.58 -144.12 16.85 Favored Glycine 0 N--CA 1.442 -0.946 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 -172.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.606 HG22 HG21 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -143.46 103.78 4.15 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.099 0.476 . . . . 0.0 110.475 174.278 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.8 m -159.85 140.83 12.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.93 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.53 ' OG ' HG13 ' A' ' 105' ' ' ILE . 0.1 OUTLIER -148.76 128.0 12.92 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.61 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.549 ' CE1' ' HA ' ' A' ' 59' ' ' ARG . 14.3 m-85 -109.7 104.14 13.08 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.256 -175.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.492 ' HA ' ' O ' ' A' ' 55' ' ' MET . 90.6 m -87.96 102.49 14.78 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.559 176.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -154.85 132.71 11.5 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.188 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.2 m 67.88 21.62 8.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.87 0.367 . . . . 0.0 110.748 -174.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 75.01 3.72 69.65 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.814 -0.708 . . . . 0.0 111.486 -175.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.492 ' O ' ' HA ' ' A' ' 51' ' ' THR . 19.7 mtm -94.6 164.13 13.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.817 0.341 . . . . 0.0 110.333 -179.651 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.448 HG21 HD11 ' A' ' 33' ' ' LEU . 2.7 mp -136.95 97.05 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.606 177.599 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.506 HD11 ' CE2' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -111.4 -179.38 3.7 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.009 -175.885 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.495 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 12.5 p -87.35 174.86 8.29 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.871 175.063 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.549 ' HA ' ' CE1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -63.03 -38.0 89.43 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.974 0.416 . . . . 0.0 110.734 179.558 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -75.05 -43.31 54.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.426 -178.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.495 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 62.6 m-20 -70.3 -24.5 63.04 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.129 -177.329 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.427 ' HA ' HD13 ' A' ' 57' ' ' LEU . 60.4 t80 -60.05 -40.65 90.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.235 178.196 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.4 mm -67.83 -31.05 50.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.15 0.5 . . . . 0.0 110.56 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -72.92 -43.25 62.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.152 177.244 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.38 -57.7 3.73 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.2 -175.502 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.506 ' CE2' HD11 ' A' ' 57' ' ' LEU . 23.6 m-85 -118.95 -28.27 5.57 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -172.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.08 -89.89 1.51 Allowed Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.384 -0.912 . . . . 0.0 112.782 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.473 ' CG ' ' HB2' ' A' ' 99' ' ' ASP . 0.3 OUTLIER -165.14 149.54 8.88 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 -178.184 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -94.78 28.43 2.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.921 0.391 . . . . 0.0 111.137 -178.703 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.521 ' HA3' ' HG2' ' A' ' 93' ' ' MET . . . 81.46 39.72 12.05 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.687 177.38 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -111.57 170.41 8.15 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.913 0.387 . . . . 0.0 110.918 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.454 ' HA3' ' HB2' ' A' ' 96' ' ' GLU . . . 162.57 -137.87 5.06 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -179.515 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.27 -19.64 68.84 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 173.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.8 -28.15 68.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.182 0.515 . . . . 0.0 110.597 177.536 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 151.38 -158.97 28.0 Favored Glycine 0 N--CA 1.442 -0.923 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.922 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -121.52 -171.86 14.22 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.986 178.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -166.1 61.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.809 0.337 . . . . 0.0 110.381 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 56.56 46.05 21.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.358 -176.77 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -167.14 43.17 0.25 Allowed Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.633 -178.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.0 m 66.89 176.26 0.24 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.907 0.384 . . . . 0.0 110.72 -176.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 97.97 -45.54 1.68 Allowed Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.398 -0.906 . . . . 0.0 111.902 -175.253 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 144.58 96.49 0.21 Allowed Glycine 0 N--CA 1.443 -0.866 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.774 178.027 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.46 46.6 1.16 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.012 0.434 . . . . 0.0 110.45 177.557 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.4 t -94.15 -47.19 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.946 -176.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.3 pmm? -81.36 -21.4 39.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.545 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.572 ' O ' ' HB ' ' A' ' 87' ' ' VAL . 0.2 OUTLIER -71.26 164.14 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.984 176.188 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.572 ' HB ' ' O ' ' A' ' 86' ' ' VAL . 24.3 t 79.17 -52.93 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 -173.088 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -74.75 -52.48 7.12 Favored Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 171.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -112.6 96.16 35.46 Favored Pre-proline 0 C--N 1.327 -0.408 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 173.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -69.68 -44.2 2.27 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.542 2.161 . . . . 0.0 112.911 -175.01 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.66 98.21 9.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.156 0.503 . . . . 0.0 111.44 -177.666 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -148.21 132.18 17.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.31 178.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.521 ' HG2' ' HA3' ' A' ' 70' ' ' GLY . 3.1 mtm -149.87 95.76 2.35 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.971 0.415 . . . . 0.0 111.324 -177.136 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -82.42 -79.82 0.98 Allowed Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.735 177.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 103.85 33.63 4.02 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.502 -0.856 . . . . 0.0 112.677 176.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.454 ' HB2' ' HA3' ' A' ' 72' ' ' GLY . 0.2 OUTLIER -101.65 30.34 4.38 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.645 0.26 . . . . 0.0 110.557 178.187 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.415 ' HD1' HD21 ' A' ' 68' ' ' ASN . 8.1 t80 55.2 68.04 0.92 Allowed 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 121.524 0.678 . . . . 0.0 110.486 -176.329 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -110.38 -3.52 29.15 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.635 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.473 ' HB2' ' CG ' ' A' ' 68' ' ' ASN . 0.2 OUTLIER -75.19 78.82 2.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.917 0.389 . . . . 0.0 111.017 -179.102 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.8 39.4 1.07 Allowed 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 175.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -73.27 46.59 0.19 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.906 -1.043 . . . . 0.0 112.383 -174.018 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.494 ' CD ' ' HD2' ' A' ' 103' ' ' ARG . 0.1 OUTLIER -100.71 -119.51 0.16 Allowed 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 174.665 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.494 ' HD2' ' CD ' ' A' ' 102' ' ' GLU . 3.9 mmm180 49.69 39.08 16.79 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 122.9 0.48 . . . . 0.0 111.301 177.316 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.33 -21.31 13.13 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.027 -178.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.785 HG23 HD21 ' A' ' 21' ' ' LEU . 11.5 mt -64.85 108.15 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.728 0.775 . . . . 0.0 110.321 178.084 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.02 126.0 54.34 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.156 179.016 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -133.23 119.13 19.44 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 120.909 0.385 . . . . 0.0 110.679 -175.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.8 tp -142.48 102.72 4.13 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.895 176.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.685 ' HG2' ' HA ' ' A' ' 19' ' ' PHE . 40.6 mt-10 -82.06 162.67 22.48 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.432 -179.136 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -72.18 126.14 29.05 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 174.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.675 ' HB ' ' HA3' ' A' ' 118' ' ' GLY . 0.2 OUTLIER 73.2 20.69 3.27 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.121 -175.313 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.651 ' HB2' ' HB2' ' A' ' 109' ' ' GLU . 1.7 tt0 -89.39 51.19 2.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.308 0.575 . . . . 0.0 110.043 175.453 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.519 ' CE2' ' HA ' ' A' ' 111' ' ' THR . 6.4 m-85 -97.06 101.03 12.52 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.219 178.444 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.476 ' HB3' ' O ' ' A' ' 113' ' ' PHE . 6.1 t0 74.72 -65.35 0.35 Allowed 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.885 0.74 . . . . 0.0 110.348 -173.654 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -80.97 132.47 35.39 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.463 175.195 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.43 ' HA ' ' CG ' ' A' ' 112' ' ' GLN . . . -89.62 169.89 10.94 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.71 -179.519 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 59.73 62.58 1.68 Allowed 'General case' 0 C--O 1.234 0.282 0 O-C-N 123.527 0.517 . . . . 0.0 110.07 -179.199 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.675 ' HA3' ' HB ' ' A' ' 111' ' ' THR . . . -62.45 126.86 38.68 Favored Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.983 -175.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 6.5 mt 58.33 71.2 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 121.328 0.585 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -70.45 114.14 8.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.265 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -121.77 124.39 44.08 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.836 0.35 . . . . 0.0 111.247 -176.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 . . . . . 0 C--O 1.251 1.139 0 CA-C-O 118.404 -0.808 . . . . 0.0 109.543 176.888 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.754 0 N-CA-C 111.728 -0.549 . . . . 0.0 111.728 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.31 79.86 1.34 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.191 0.52 . . . . 0.0 110.557 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.7 mt -90.39 5.95 45.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.648 -177.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.64 94.05 0.75 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.663 179.535 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.663 ' HZ3' ' HG2' ' A' ' 14' ' ' LYS . 38.8 p-90 -79.88 -40.9 27.31 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 178.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.586 ' HG3' HD12 ' A' ' 15' ' ' ILE . 0.0 OUTLIER 49.47 140.1 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.732 1.613 . . . . 0.0 114.434 175.711 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.538 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -119.1 139.55 51.58 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.491 179.242 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.469 ' HB2' HG12 ' A' ' 15' ' ' ILE . 45.0 t -86.25 136.26 33.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.94 -174.421 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -103.36 3.2 34.95 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.917 175.029 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.668 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -83.01 -47.92 5.63 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.066 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.403 ' SG ' ' N ' ' A' ' 12' ' ' GLY . 11.6 p -103.3 -87.11 0.43 Allowed 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 175.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.403 ' N ' ' SG ' ' A' ' 11' ' ' CYS . . . 168.3 57.33 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.546 -0.835 . . . . 0.0 113.044 177.715 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -162.32 -150.21 5.91 Favored Glycine 0 N--CA 1.435 -1.378 0 C-N-CA 120.718 -0.753 . . . . 0.0 111.306 176.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.663 ' HG2' ' HZ3' ' A' ' 5' ' ' TRP . 2.0 mtmp? -101.28 156.43 17.45 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 115.343 -0.429 . . . . 0.0 110.137 177.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.586 HD12 ' HG3' ' A' ' 6' ' ' LYS . 1.0 OUTLIER -100.75 93.3 2.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 120.907 0.384 . . . . 0.0 110.462 177.032 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.67 27.58 2.29 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.354 0.597 . . . . 0.0 110.104 177.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.89 153.62 17.61 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.727 -177.109 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -76.36 -23.09 54.16 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.584 0.707 . . . . 0.0 109.654 176.789 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.641 ' HD1' ' HG2' ' A' ' 109' ' ' GLU . 37.2 m-85 -126.09 127.81 46.38 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.719 -179.112 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.461 HD21 ' CE2' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -151.3 176.46 11.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.69 0.281 . . . . 0.0 111.123 -178.4 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.685 HD11 HG23 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -128.83 151.72 49.28 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.969 0.414 . . . . 0.0 110.872 -178.304 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.631 ' HD2' ' CD1' ' A' ' 27' ' ' TYR . 1.1 m-85 -123.25 128.77 50.45 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 175.174 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.407 ' HB3' ' NE1' ' A' ' 28' ' ' TRP . . . -153.11 127.8 9.45 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.941 -0.304 . . . . 0.0 111.672 -177.456 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.426 ' HG3' HG21 ' A' ' 51' ' ' THR . 0.4 OUTLIER 62.22 43.59 8.37 Favored 'General case' 0 N--CA 1.466 0.359 0 O-C-N 123.644 0.59 . . . . 0.0 111.858 176.283 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 62.27 19.73 11.23 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.087 0.47 . . . . 0.0 111.072 -179.303 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.7 155.97 45.72 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 177.015 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.631 ' CD1' ' HD2' ' A' ' 22' ' ' TYR . 7.4 m-85 -109.45 153.07 24.55 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 -178.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.462 ' CD2' HD23 ' A' ' 33' ' ' LEU . 19.8 m95 -140.39 164.36 30.31 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.573 -173.118 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.581 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 10.0 m80 -83.33 166.41 18.49 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.097 169.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.82 -42.4 97.62 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.954 0.407 . . . . 0.0 110.425 175.8 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.455 ' HG2' ' OE1' ' A' ' 41' ' ' GLN . 0.3 OUTLIER -85.58 -19.91 30.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.595 -179.895 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.668 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 66.1 m -79.66 -21.37 44.87 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.329 -178.398 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.624 ' HG ' HD22 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -82.91 80.99 8.8 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.603 0.716 . . . . 0.0 109.664 173.398 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.662 ' HG3' ' HA ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -137.01 165.76 25.25 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.132 -176.374 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 50.3 t -62.27 146.49 50.81 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.619 179.411 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.02 -19.93 61.1 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.837 177.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.44 -46.83 3.76 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -178.705 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 59.3 m -86.17 -29.81 22.95 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -174.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.662 ' HA ' ' HG3' ' A' ' 34' ' ' LYS . 4.8 mp0 66.26 25.19 10.58 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 -168.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -85.49 132.08 34.26 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.687 179.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.534 ' HB3' ' HB3' ' A' ' 44' ' ' ASP . 1.6 tp60 -64.59 105.12 0.9 Allowed 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 114.71 -1.132 . . . . 0.0 110.75 -174.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.928 HD21 ' HA ' ' A' ' 58' ' ' CYS . 18.0 mt -67.08 -22.42 65.84 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.054 -177.366 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -91.91 7.0 79.43 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.207 177.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.534 ' HB3' ' HB3' ' A' ' 41' ' ' GLN . 24.3 t70 -113.7 -32.07 6.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.577 0.227 . . . . 0.0 110.716 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.433 ' HB ' ' CB ' ' A' ' 83' ' ' ASP . 34.0 pt -84.27 54.03 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.763 0.792 . . . . 0.0 110.122 175.659 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.73 ' HA2' ' HB3' ' A' ' 92' ' ' LEU . . . 87.83 -130.92 10.33 Favored Glycine 0 N--CA 1.441 -0.98 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.9 -174.467 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.0 m -143.04 102.1 3.94 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 174.375 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.6 m -161.61 158.21 25.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.821 0.344 . . . . 0.0 110.66 177.443 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.553 ' OG ' HG12 ' A' ' 105' ' ' ILE . 0.1 OUTLIER -166.29 138.99 3.91 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 175.417 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.409 ' O ' ' HA ' ' A' ' 56' ' ' ILE . 12.0 m-85 -118.76 117.13 28.07 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.803 -172.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.426 HG21 ' HG3' ' A' ' 24' ' ' MET . 0.2 OUTLIER -96.57 102.06 13.78 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.277 179.538 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -156.72 142.81 18.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.6 175.788 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.5 m 63.71 25.44 14.2 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 123.667 0.604 . . . . 0.0 111.573 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 69.94 13.02 68.99 Favored Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 111.856 -0.498 . . . . 0.0 111.856 -177.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 2.6 mtm -114.94 172.65 6.92 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.837 0.351 . . . . 0.0 110.567 -176.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.409 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 1.1 mm -126.27 92.5 2.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.531 -0.758 . . . . 0.0 109.508 176.084 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -85.93 161.84 18.84 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.061 0.458 . . . . 0.0 110.922 -176.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.928 ' HA ' HD21 ' A' ' 42' ' ' LEU . 6.0 p -80.73 -175.13 5.12 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.535 174.244 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.473 HH21 ' HA2' ' A' ' 81' ' ' GLY . 0.5 OUTLIER -84.1 3.28 35.45 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.004 0.43 . . . . 0.0 110.163 174.677 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -104.55 -49.04 3.64 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.238 0.542 . . . . 0.0 110.197 177.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.412 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 40.3 m-20 -69.48 -44.23 71.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.096 -177.426 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.494 ' HE2' ' HB3' ' A' ' 99' ' ' ASP . 69.2 t80 -53.57 -46.01 70.14 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.748 -175.75 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.456 ' H ' HG12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -73.17 -21.39 19.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.28 -176.467 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 64' ' ' ARG . 13.2 mtt180 -86.2 -25.03 25.86 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.074 0.464 . . . . 0.0 109.917 176.251 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 65' ' ' LEU . 0.2 OUTLIER -81.2 -61.87 1.82 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.696 179.918 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.55 -44.92 1.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.626 -178.49 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.444 ' CA ' ' HA ' ' A' ' 63' ' ' ILE . . . 50.51 -158.49 1.85 Allowed Glycine 0 CA--C 1.521 0.411 0 CA-C-N 115.89 -0.595 . . . . 0.0 113.828 177.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.648 ' HB3' ' HA ' ' A' ' 99' ' ' ASP . 20.9 t-20 174.82 -59.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 123.388 0.675 . . . . 0.0 109.596 176.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.2 p -167.21 -173.94 2.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.816 178.353 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -145.31 -179.96 21.98 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.007 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.894 ' HB3' ' HG2' ' A' ' 96' ' ' GLU . . . -123.55 -0.93 8.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.876 0.37 . . . . 0.0 111.09 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -167.63 -57.93 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.754 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.426 ' H ' ' CD ' ' A' ' 96' ' ' GLU . . . 80.06 -100.36 1.87 Allowed Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.74 -0.743 . . . . 0.0 111.878 -178.714 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.67 8.97 15.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 122.767 -0.255 . . . . 0.0 111.282 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -173.48 -166.5 31.89 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.086 -1.054 . . . . 0.0 112.956 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 83.46 -124.45 6.58 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 121.29 -0.481 . . . . 0.0 111.934 -178.24 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 10.0 p-80 -112.48 116.21 29.9 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 177.23 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 59.03 47.07 12.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.843 -178.515 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -72.32 94.19 0.63 Allowed Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.837 -0.696 . . . . 0.0 111.41 177.22 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.33 -45.27 4.52 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 121.284 -0.166 . . . . 0.0 111.278 -176.139 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.473 ' HA2' HH21 ' A' ' 59' ' ' ARG . . . 63.25 -124.65 32.44 Favored Glycine 0 N--CA 1.449 -0.45 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -176.67 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -94.12 41.95 2.55 Favored Glycine 0 N--CA 1.451 -0.318 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 170.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.433 ' CB ' ' HB ' ' A' ' 45' ' ' ILE . 12.2 t70 52.75 57.4 6.41 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 114.757 -0.722 . . . . 0.0 110.844 -172.433 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 69.6 t -98.14 -44.36 12.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.626 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.54 -4.98 59.32 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.88 174.317 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.413 ' HA ' ' OD1' ' A' ' 83' ' ' ASP . 51.6 t 71.28 116.69 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.422 179.071 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.414 HG21 ' HA3' ' A' ' 94' ' ' GLY . 5.6 p -64.72 120.72 12.25 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.382 -177.635 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -77.04 83.28 1.07 Allowed Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.169 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -145.14 132.32 10.16 Favored Pre-proline 0 C--N 1.321 -0.644 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -59.51 -24.65 75.85 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 123.308 2.672 . . . . 0.0 113.02 -177.196 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.8 6.57 13.21 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.001 0.429 . . . . 0.0 110.001 178.64 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.73 ' HB3' ' HA2' ' A' ' 46' ' ' GLY . 1.2 mp 58.06 26.4 13.54 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.792 -176.616 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.91 64.48 3.97 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.103 0.478 . . . . 0.0 110.625 -179.135 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.414 ' HA3' HG21 ' A' ' 87' ' ' VAL . . . -123.04 148.34 16.77 Favored Glycine 0 N--CA 1.443 -0.834 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.451 178.368 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -142.89 69.91 0.42 Allowed Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.872 -0.68 . . . . 0.0 111.627 -178.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.894 ' HG2' ' HB3' ' A' ' 71' ' ' ALA . 3.7 tm-20 -73.64 116.56 14.37 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 179.111 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -166.71 173.73 9.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.81 0.338 . . . . 0.0 110.944 -176.184 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -142.05 8.82 2.47 Favored Glycine 0 N--CA 1.449 -0.495 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 174.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.648 ' HA ' ' HB3' ' A' ' 68' ' ' ASN . 0.1 OUTLIER -84.9 -141.3 0.08 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.143 -0.528 . . . . 0.0 111.406 -175.875 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -101.83 -52.7 3.12 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 114.09 1.145 . . . . 0.0 114.09 -170.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -147.89 88.89 1.7 Allowed 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 -165.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.434 ' H ' ' HG3' ' A' ' 102' ' ' GLU . 1.7 pp20? -102.05 -161.77 0.88 Allowed 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.521 170.413 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.407 ' H ' ' HB2' ' A' ' 102' ' ' GLU . 0.0 OUTLIER 46.58 46.76 14.58 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.652 -0.704 . . . . 0.0 112.728 174.693 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.404 ' HB3' ' OG ' ' A' ' 49' ' ' SER . 19.7 tp -83.4 -0.28 49.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.584 0.707 . . . . 0.0 109.313 174.453 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.685 HG23 HD11 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -76.09 98.34 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.686 -179.305 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.42 ' HB ' ' HB2' ' A' ' 22' ' ' TYR . 1.2 m -103.61 121.82 43.72 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 171.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.32 139.28 44.19 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.383 0.611 . . . . 0.0 111.47 -173.469 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.21 103.93 3.9 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.0 177.111 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.641 ' HG2' ' HD1' ' A' ' 19' ' ' PHE . 2.5 mt-10 -73.49 154.28 39.98 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.349 -176.594 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -64.6 -46.29 83.3 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.429 -176.246 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.547 HG22 ' HB3' ' A' ' 114' ' ' ASP . 0.0 OUTLIER -124.43 54.38 1.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.128 -0.487 . . . . 0.0 112.232 -172.101 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.73 -68.61 0.63 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.812 0.339 . . . . 0.0 110.265 177.735 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -85.06 56.28 3.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.312 0.577 . . . . 0.0 109.463 175.13 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.547 ' HB3' HG22 ' A' ' 111' ' ' THR . 2.9 t70 -141.96 -165.03 1.92 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.297 -173.803 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.75 -19.45 50.32 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -178.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 111' ' ' THR . . . -82.37 -7.86 59.63 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.624 0.25 . . . . 0.0 111.482 -179.535 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -172.28 62.04 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.975 0.417 . . . . 0.0 110.137 178.463 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 138.21 -125.42 3.2 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.388 -176.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -126.22 144.96 34.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 O-C-N 122.654 -0.321 . . . . 0.0 111.197 -178.344 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.79 131.14 35.39 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 174.399 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 20.8 t70 61.92 -110.07 0.37 Allowed 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -173.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 . . . . . 0 C--O 1.25 1.093 0 CA-C-O 117.791 -1.099 . . . . 0.0 109.183 174.832 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.788 0 N-CA-C 111.726 -0.55 . . . . 0.0 111.726 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.52 24.86 7.16 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.958 0.409 . . . . 0.0 110.412 -179.272 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.7 mt 61.39 31.64 19.14 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.247 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.47 1.47 57.1 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.628 179.497 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -79.03 165.84 22.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.661 -179.13 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.588 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 0.1 OUTLIER -114.02 123.15 48.98 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.912 0.386 . . . . 0.0 110.693 -179.84 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.51 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -127.89 137.58 52.37 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.228 177.615 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.436 ' SG ' ' HA ' ' A' ' 28' ' ' TRP . 12.7 t -85.95 151.16 23.97 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.387 -176.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -115.35 2.03 13.87 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.1 -0.954 . . . . 0.0 109.373 173.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.904 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -92.68 -50.81 2.44 Favored Glycine 0 N--CA 1.448 -0.565 0 CA-C-N 115.472 -0.785 . . . . 0.0 112.037 -179.409 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.6 p -98.37 -23.63 15.53 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.012 175.413 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.35 4.69 54.93 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.36 -0.836 . . . . 0.0 113.539 173.346 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.91 -150.74 17.49 Favored Glycine 0 N--CA 1.434 -1.453 0 C-N-CA 120.0 -1.095 . . . . 0.0 113.046 -178.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -102.63 142.34 33.96 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 114.63 -0.785 . . . . 0.0 110.55 -179.712 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.627 HG21 ' HB2' ' A' ' 20' ' ' LEU . 2.6 mt -101.3 95.43 3.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.724 0.297 . . . . 0.0 111.206 177.19 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -105.49 6.95 32.8 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.608 0.718 . . . . 0.0 109.227 173.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -80.42 150.95 29.59 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.84 -1.073 . . . . 0.0 110.302 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.5 tpm_? -67.75 -26.28 66.05 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.31 0.576 . . . . 0.0 111.207 -178.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -106.49 112.09 24.94 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.401 -175.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.627 ' HB2' HG21 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -145.25 170.4 16.35 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.142 0.496 . . . . 0.0 111.073 -177.12 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.886 HD21 HG23 ' A' ' 105' ' ' ILE . 0.4 OUTLIER -131.84 151.51 51.63 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.035 177.269 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.537 ' HD2' ' CD1' ' A' ' 27' ' ' TYR . 0.3 OUTLIER -123.22 118.08 26.79 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 173.611 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.496 ' HA ' ' O ' ' A' ' 104' ' ' LEU . . . -149.56 147.29 27.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.811 0.339 . . . . 0.0 111.666 -176.398 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.534 ' HG2' HG23 ' A' ' 51' ' ' THR . 1.5 mtp 54.82 39.02 31.22 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.267 176.801 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 64.58 30.73 12.64 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.249 0.547 . . . . 0.0 110.795 178.072 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -149.04 168.95 21.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.576 177.786 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.537 ' CD1' ' HD2' ' A' ' 22' ' ' TYR . 7.2 m-85 -110.34 149.82 29.66 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 178.389 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.444 ' CD2' HD23 ' A' ' 33' ' ' LEU . 18.7 m95 -144.9 178.15 8.23 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.749 -172.211 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.723 ' H ' ' HB2' ' A' ' 32' ' ' CYS . 23.7 m80 -100.62 173.94 6.3 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 168.097 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.41 -46.28 90.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.677 0.275 . . . . 0.0 111.418 -178.752 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.1 ttp85 -94.58 -9.08 36.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.292 -179.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.904 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 68.4 m -78.93 -31.89 45.37 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 177.07 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.444 HD23 ' CD2' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -80.82 74.67 7.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.482 174.484 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.443 ' H ' ' HG3' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -111.69 161.09 16.64 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.885 -179.899 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.768 ' HB3' ' H ' ' A' ' 39' ' ' GLN . 5.9 t -64.03 164.43 10.6 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.749 -178.727 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.5 m -92.28 -15.08 27.9 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.589 175.294 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.498 ' HB2' ' OD2' ' A' ' 61' ' ' ASP . 2.9 m -108.42 -72.11 0.73 Allowed 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 121.015 -0.274 . . . . 0.0 111.322 179.444 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 18.5 p -80.42 -22.15 41.47 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -174.528 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.768 ' H ' ' HB3' ' A' ' 35' ' ' CYS . 1.4 mp0 65.07 19.15 11.75 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.367 0.667 . . . . 0.0 111.818 -177.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.53 124.65 24.46 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-O 121.108 0.48 . . . . 0.0 109.894 177.068 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -51.39 103.67 0.06 Allowed 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 114.355 -1.293 . . . . 0.0 110.816 -176.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.654 HD23 HD11 ' A' ' 45' ' ' ILE . 2.1 mt -70.48 -20.2 62.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.966 -175.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.2 -33.42 49.41 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.355 -0.926 . . . . 0.0 111.762 176.059 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -76.79 -25.87 53.83 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -178.027 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.654 HD11 HD23 ' A' ' 42' ' ' LEU . 32.2 pt -79.7 -17.3 12.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.949 -179.237 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 62.5 45.9 94.92 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.535 176.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.05 179.83 6.51 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.413 ' HA ' ' HB ' ' A' ' 105' ' ' ILE . 0.0 OUTLIER -94.86 162.06 13.91 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.864 0.364 . . . . 0.0 111.351 -177.051 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.4 p -110.61 -174.76 2.55 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.423 175.304 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.567 ' HB2' ' HE3' ' A' ' 52' ' ' LYS . 34.5 m-85 -127.28 155.07 44.09 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 178.698 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.534 HG23 ' HG2' ' A' ' 24' ' ' MET . 0.2 OUTLIER -109.27 110.79 22.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.037 0.446 . . . . 0.0 111.697 178.861 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.791 ' HE2' HD12 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -156.73 134.01 10.58 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.663 174.569 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 m 60.03 11.7 2.8 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 123.667 0.605 . . . . 0.0 112.302 178.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 68.24 8.32 54.45 Favored Glycine 0 CA--C 1.52 0.402 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.437 -174.04 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.7 ttm -100.25 100.72 11.58 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 122.825 0.45 . . . . 0.0 110.517 -176.403 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 37.8 mt -63.12 121.02 11.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.248 -177.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.791 HD12 ' HE2' ' A' ' 52' ' ' LYS . 45.0 mt -125.54 157.87 35.99 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.0 178.197 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.593 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 10.0 p -79.02 173.56 12.45 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 174.61 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.476 ' HD3' ' OE2' ' A' ' 102' ' ' GLU . 0.3 OUTLIER -69.43 -15.67 63.33 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.01 0.433 . . . . 0.0 110.309 176.542 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -90.33 -49.61 6.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.801 179.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.593 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 17.8 m-20 -69.0 -26.25 64.92 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.728 -178.438 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.506 ' HD2' HD13 ' A' ' 63' ' ' ILE . 79.2 t80 -58.26 -40.59 82.22 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.018 175.06 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.654 HD12 ' HB3' ' A' ' 68' ' ' ASN . 10.4 mm -72.71 -25.75 22.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.705 179.34 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.453 ' HG3' ' HA ' ' A' ' 61' ' ' ASP . 6.5 mtt-85 -71.43 -40.83 70.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.943 178.604 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 33.5 mt -96.62 -49.74 4.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.144 -0.48 . . . . 0.0 112.284 -174.433 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.619 ' CZ ' ' HG3' ' A' ' 52' ' ' LYS . 16.3 m-85 -100.89 -41.56 6.79 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.851 0.358 . . . . 0.0 110.988 -174.722 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.81 160.15 36.29 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.862 178.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.679 ' HA ' ' HD2' ' A' ' 97' ' ' PHE . 39.8 t30 -166.25 154.81 10.86 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.326 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.471 ' HB3' ' O ' ' A' ' 91' ' ' THR . 0.8 OUTLIER -64.94 -58.26 6.59 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.838 -0.164 . . . . 0.0 110.917 -179.679 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 165.39 107.25 0.2 Allowed Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.142 -1.028 . . . . 0.0 113.422 177.153 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -95.67 -172.22 2.56 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 174.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.4 ' HA3' HG13 ' A' ' 84' ' ' VAL . . . -174.89 -177.75 44.23 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.357 179.011 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 94.71 150.6 27.27 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.375 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.48 66.64 3.26 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.33 0.586 . . . . 0.0 110.466 178.693 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 122.95 -92.81 0.47 Allowed Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 -173.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 154.65 104.59 0.23 Allowed Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.9 176.256 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.433 ' O ' ' HB3' ' A' ' 78' ' ' MET . 27.3 t-80 -71.16 83.51 0.73 Allowed 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.506 -0.183 . . . . 0.0 110.506 -178.32 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.433 ' HB3' ' O ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER 71.78 -61.56 0.49 Allowed 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.991 -177.351 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -126.21 111.35 1.42 Allowed Glycine 0 N--CA 1.441 -0.98 0 C-N-CA 121.032 -0.604 . . . . 0.0 111.64 177.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.92 -22.52 67.01 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.71 0.291 . . . . 0.0 111.383 -178.352 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.458 ' HA3' ' CG ' ' A' ' 96' ' ' GLU . . . -73.95 -23.26 76.73 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.671 -0.776 . . . . 0.0 111.563 176.353 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -106.22 18.83 38.5 Favored Glycine 0 N--CA 1.446 -0.7 0 N-CA-C 111.424 -0.67 . . . . 0.0 111.424 176.18 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -114.22 8.94 16.97 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.155 0.502 . . . . 0.0 110.315 -179.351 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.4 HG13 ' HA3' ' A' ' 72' ' ' GLY . 0.0 OUTLIER -107.66 -179.2 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.63 175.661 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -80.27 62.39 4.4 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.203 0.525 . . . . 0.0 110.213 178.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.515 ' HB ' ' HA3' ' A' ' 94' ' ' GLY . 2.8 p -103.91 109.88 28.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.668 -177.623 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.4 t -113.34 -40.28 3.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.262 0.554 . . . . 0.0 109.827 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -151.87 150.03 21.85 Favored Glycine 0 N--CA 1.444 -0.79 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.402 178.194 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 57.05 76.53 0.48 Allowed Pre-proline 0 C--N 1.328 -0.343 0 C-N-CA 122.783 0.433 . . . . 0.0 111.095 -178.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_endo -80.23 47.91 2.7 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.652 2.235 . . . . 0.0 112.062 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.471 ' O ' ' HB3' ' A' ' 69' ' ' SER . 0.3 OUTLIER -72.89 -42.97 63.04 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.063 -177.905 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.6 mt -128.49 -51.9 1.27 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.061 177.42 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.33 105.24 10.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.207 177.586 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.515 ' HA3' ' HB ' ' A' ' 86' ' ' VAL . . . 94.66 13.65 52.77 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.76 -0.733 . . . . 0.0 111.953 -176.676 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -102.03 105.59 2.84 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.865 178.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.458 ' CG ' ' HA3' ' A' ' 81' ' ' GLY . 0.7 OUTLIER -101.31 171.99 7.26 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.763 0.316 . . . . 0.0 110.455 179.038 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.679 ' HD2' ' HA ' ' A' ' 68' ' ' ASN . 0.2 OUTLIER -116.54 38.32 3.47 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.806 178.187 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 103.57 66.94 0.73 Allowed Glycine 0 N--CA 1.441 -0.971 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.085 -174.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.485 ' O ' ' HB2' ' A' ' 102' ' ' GLU . 56.3 p30 -74.94 2.49 10.27 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -176.531 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.2 mp0 -77.31 -19.7 56.02 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 172.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -78.2 -8.0 57.78 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.129 176.573 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.485 ' HB2' ' O ' ' A' ' 99' ' ' ASP . 2.1 mt-10 -77.66 -166.5 0.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.828 177.379 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 57.77 29.01 16.76 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.624 0.726 . . . . 0.0 109.94 -176.701 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.497 ' HG ' ' H ' ' A' ' 24' ' ' MET . 12.2 tp -84.08 -7.11 59.47 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.835 -1.075 . . . . 0.0 111.265 -175.011 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.886 HG23 HD21 ' A' ' 21' ' ' LEU . 15.5 mt -113.85 110.28 31.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.324 0.583 . . . . 0.0 110.842 -178.551 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.495 ' HB ' ' HD1' ' A' ' 22' ' ' TYR . 18.7 m -107.77 118.28 36.33 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.073 177.539 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.16 121.22 44.32 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.035 0.445 . . . . 0.0 111.606 -172.75 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.432 HD22 ' HA ' ' A' ' 108' ' ' LEU . 0.4 OUTLIER -103.52 108.86 20.29 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.602 173.702 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.38 132.3 50.18 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.506 -177.035 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -64.94 -31.33 72.52 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.482 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -93.28 -1.39 56.12 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.791 0.329 . . . . 0.0 111.337 -177.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -111.62 -49.78 2.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.774 0.321 . . . . 0.0 111.14 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -86.7 -73.8 0.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.986 -178.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -156.59 139.41 15.21 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -82.85 74.47 9.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.112 0.482 . . . . 0.0 110.519 -178.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -94.8 148.98 21.72 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.53 -178.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -107.53 121.81 45.39 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.884 178.184 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 86.4 -113.29 3.87 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.682 -0.77 . . . . 0.0 111.256 -174.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 2.7 tp -162.6 122.52 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.141 0.496 . . . . 0.0 110.742 177.05 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -102.35 -80.32 0.51 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.03 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -170.01 117.87 0.57 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.494 177.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 . . . . . 0 C--O 1.251 1.164 0 CA-C-O 118.739 -0.648 . . . . 0.0 110.309 -179.696 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.836 0 N-CA-C 111.636 -0.586 . . . . 0.0 111.636 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.503 ' HB3' ' HA ' ' A' ' 26' ' ' SER . 14.7 m -130.8 29.01 4.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.889 0.376 . . . . 0.0 111.228 -179.006 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.2 mt -115.49 57.21 0.74 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.141 0.496 . . . . 0.0 110.111 177.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.474 ' HB2' ' H ' ' A' ' 5' ' ' TRP . 0.2 OUTLIER -143.15 -153.5 0.47 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.137 -176.821 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.474 ' H ' ' HB2' ' A' ' 4' ' ' SER . 0.1 OUTLIER -85.61 103.62 14.6 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 120.966 -0.293 . . . . 0.0 111.416 -177.802 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 1.0 ' HA ' ' HD2' ' A' ' 27' ' ' TYR . 6.3 mptt 48.67 -104.95 0.14 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.141 178.237 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.415 ' NH2' ' HA ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER 65.7 92.85 0.07 Allowed 'General case' 0 C--N 1.319 -0.726 0 O-C-N 123.973 0.796 . . . . 0.0 110.743 177.614 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.456 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 27.2 t -63.01 130.35 44.32 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.643 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.415 ' HA ' ' NH2' ' A' ' 7' ' ' ARG . . . -88.06 -1.16 57.83 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.258 178.694 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.818 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -87.09 -54.42 2.6 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.217 179.573 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.6 p -105.09 -44.04 4.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.928 0.395 . . . . 0.0 110.693 178.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 110.19 106.45 2.98 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.705 -0.759 . . . . 0.0 111.995 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 153.93 149.76 5.3 Favored Glycine 0 N--CA 1.432 -1.597 0 C-N-CA 120.892 -0.67 . . . . 0.0 111.711 -178.299 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt -67.26 98.6 0.63 Allowed 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.557 HG22 ' HB2' ' A' ' 17' ' ' ASP . 4.1 mt -51.32 -72.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.015 -0.993 . . . . 0.0 112.07 -172.645 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 60.15 18.58 7.93 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.136 0.493 . . . . 0.0 111.78 -179.497 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.557 ' HB2' HG22 ' A' ' 15' ' ' ILE . 5.3 m-20 -85.63 162.32 18.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.167 179.295 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.626 ' C ' ' HB2' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -83.78 8.13 15.67 Favored 'General case' 0 C--O 1.214 -0.768 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.131 177.044 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.661 ' HA ' ' HB3' ' A' ' 108' ' ' LEU . 6.7 m-85 -153.22 111.94 3.72 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 122.016 -0.428 . . . . 0.0 110.901 175.57 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.795 ' O ' ' HA ' ' A' ' 108' ' ' LEU . 1.9 pp -155.51 145.97 21.96 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.881 178.372 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.825 HD22 HD22 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -92.89 142.38 27.38 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.985 -179.888 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.607 ' HD2' ' CD1' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -113.23 127.59 56.21 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 171.65 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -150.18 135.69 18.19 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 121.252 -0.179 . . . . 0.0 111.043 -177.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 1.5 mmm 62.49 31.82 16.88 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.65 -178.333 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 61.69 13.54 5.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.835 -177.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.503 ' HA ' ' HB3' ' A' ' 2' ' ' SER . 0.7 OUTLIER -110.61 152.9 25.91 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 171.513 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 1.0 ' HD2' ' HA ' ' A' ' 6' ' ' LYS . 9.7 m-30 -102.71 140.01 37.55 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 -176.213 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.425 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 42.2 m95 -138.84 -178.71 5.44 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.403 -171.07 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.618 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 14.1 m80 -100.34 163.03 12.57 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 165.154 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.65 -43.45 89.79 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.952 0.406 . . . . 0.0 111.01 179.545 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.1 ttm-85 -95.12 -3.9 47.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.767 -178.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.818 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 17.2 m -84.36 -38.5 20.23 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.766 178.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.825 HD22 HD22 ' A' ' 21' ' ' LEU . 14.9 tp -63.75 -55.61 21.9 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 175.311 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.495 ' HG3' ' C ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER 42.13 -178.69 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 172.225 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.455 ' O ' ' HD2' ' A' ' 34' ' ' LYS . 3.4 m -83.93 169.78 14.69 Favored 'General case' 0 N--CA 1.431 -1.402 0 CA-C-N 112.43 -2.168 . . . . 0.0 111.103 -172.223 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.56 ' OG ' HD23 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -90.2 -49.12 6.74 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.608 174.854 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.83 -51.22 2.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.88 -177.694 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -34.95 79.17 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -176.407 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.436 ' H ' ' CB ' ' A' ' 35' ' ' CYS . 2.3 mp0 63.97 40.19 7.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.836 -177.459 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -98.69 -161.67 0.89 Allowed 'General case' 0 N--CA 1.441 -0.908 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 174.35 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.687 ' HB3' ' HB2' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -100.88 121.58 41.97 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.09 177.43 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.627 ' HB3' HD11 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -62.85 -33.18 74.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.034 -174.417 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -95.92 -2.29 61.13 Favored Glycine 0 C--N 1.329 0.17 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.703 -178.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.687 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . 25.8 t0 -85.29 -27.3 26.06 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.349 0.595 . . . . 0.0 110.314 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.5 pt -87.73 3.11 5.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.779 178.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 123.25 -168.47 15.45 Favored Glycine 0 N--CA 1.445 -0.709 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 -176.081 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.455 HG23 ' HE2' ' A' ' 113' ' ' PHE . 0.2 OUTLIER -97.99 101.28 12.72 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 117.462 0.631 . . . . 0.0 109.766 176.145 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.491 ' H ' HD12 ' A' ' 105' ' ' ILE . 4.2 m -161.39 140.98 10.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.764 0.316 . . . . 0.0 111.534 -179.061 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.55 ' OG ' HG13 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -162.48 132.29 4.51 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.059 177.095 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.5 ' CE2' ' HG3' ' A' ' 102' ' ' GLU . 21.0 m-85 -112.27 128.49 56.28 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -112.19 101.63 9.86 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.889 0.376 . . . . 0.0 110.608 177.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -142.97 140.89 31.26 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.403 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 25.1 m 64.52 23.93 12.99 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 123.462 0.476 . . . . 0.0 111.331 -178.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 69.27 16.5 71.23 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.776 -0.725 . . . . 0.0 111.683 -175.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -103.57 167.13 9.99 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.779 0.323 . . . . 0.0 110.447 -177.506 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.6 mp -124.07 112.75 33.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.44 175.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.672 ' HB3' ' HB3' ' A' ' 61' ' ' ASP . 0.1 OUTLIER -126.36 148.39 49.59 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.171 -174.402 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.414 ' SG ' ' HB3' ' A' ' 60' ' ' ASN . 16.6 p -77.93 -173.85 3.3 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 171.432 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.804 ' HB3' ' HA3' ' A' ' 82' ' ' GLY . 10.5 tpt180 -71.79 -28.92 63.93 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.674 0.273 . . . . 0.0 110.744 177.508 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.414 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . 38.3 t30 -77.99 -42.42 32.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.928 0.394 . . . . 0.0 110.453 176.721 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.672 ' HB3' ' HB3' ' A' ' 57' ' ' LEU . 2.5 m-20 -59.7 -39.36 84.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.595 179.176 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -57.67 -42.41 83.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.353 179.079 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.539 ' HA ' ' HA3' ' A' ' 67' ' ' GLY . 30.3 mm -72.33 -28.06 27.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.253 0.549 . . . . 0.0 110.782 179.146 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 64' ' ' ARG . 7.9 mtp180 -70.24 -41.41 73.58 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.805 177.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.0 mp -90.21 -57.34 2.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.888 -175.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -118.28 31.87 6.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.755 0.312 . . . . 0.0 111.243 -176.033 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.683 ' HA2' ' HE2' ' A' ' 97' ' ' PHE . . . -103.64 -91.2 2.19 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.389 -0.91 . . . . 0.0 112.19 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 51.5 t30 72.53 -57.49 0.63 Allowed 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.394 0.677 . . . . 0.0 111.352 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.5 154.58 22.62 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.54 176.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.585 ' HA2' ' HA2' ' A' ' 95' ' ' GLY . . . -90.89 -100.6 1.21 Allowed Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.055 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.619 ' HB1' ' HA2' ' A' ' 75' ' ' GLY . . . -141.11 -18.51 0.81 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.006 0.431 . . . . 0.0 110.814 178.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 76.27 -162.49 52.48 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.196 -179.34 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.08 -16.25 80.88 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.134 178.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.9 -49.06 13.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.89 0.376 . . . . 0.0 110.623 -179.581 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.619 ' HA2' ' HB1' ' A' ' 71' ' ' ALA . . . 83.81 -60.05 4.89 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.764 -0.732 . . . . 0.0 111.588 -177.601 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 88.67 -73.85 2.15 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.343 177.238 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -130.6 174.04 10.3 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 178.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.86 50.08 0.09 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.086 0.469 . . . . 0.0 110.231 178.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -111.06 -50.31 0.64 Allowed Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.795 -0.717 . . . . 0.0 111.898 -178.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.52 161.52 29.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.832 0.348 . . . . 0.0 110.706 179.475 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.436 ' HA3' HG21 ' A' ' 91' ' ' THR . . . -136.42 -65.3 0.06 OUTLIER Glycine 0 N--CA 1.444 -0.825 0 C-N-CA 120.925 -0.655 . . . . 0.0 111.886 179.06 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.804 ' HA3' ' HB3' ' A' ' 59' ' ' ARG . . . 59.1 44.46 96.32 Favored Glycine 0 C--N 1.329 0.148 0 C-N-CA 121.267 -0.492 . . . . 0.0 112.517 178.253 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -102.96 164.81 11.39 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 -178.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -92.09 -14.96 8.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.107 0.48 . . . . 0.0 110.613 178.38 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 26.2 mtt -104.75 -123.7 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.036 178.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 15.4 t 56.06 68.87 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-O 121.403 0.62 . . . . 0.0 111.693 176.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.5 t -108.62 -54.72 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 175.092 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -119.48 -7.71 9.7 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.182 174.519 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.61 150.54 37.07 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -62.71 150.11 89.05 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.654 2.236 . . . . 0.0 112.14 -178.214 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.436 HG21 ' HA3' ' A' ' 81' ' ' GLY . 0.2 OUTLIER -54.24 115.14 1.91 Allowed 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.716 -178.231 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.8 mp -76.9 -81.0 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.066 -176.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 55.57 -101.4 0.13 Allowed 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.379 0.424 . . . . 0.0 111.084 -178.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 121.28 -66.34 0.46 Allowed Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.975 -0.631 . . . . 0.0 111.792 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.585 ' HA2' ' HA2' ' A' ' 70' ' ' GLY . . . -70.88 111.76 3.89 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.913 -0.66 . . . . 0.0 111.974 177.079 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.614 ' HB2' ' HB2' ' A' ' 71' ' ' ALA . 1.2 tm-20 -100.82 124.47 46.54 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.644 0.259 . . . . 0.0 110.332 -179.607 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.683 ' HE2' ' HA2' ' A' ' 67' ' ' GLY . 2.2 m-85 -140.24 32.88 1.91 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.256 0.551 . . . . 0.0 110.857 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.45 -139.59 20.39 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.624 177.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -170.33 1.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.606 0.241 . . . . 0.0 111.403 -178.701 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -64.34 -22.93 67.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.856 0.36 . . . . 0.0 111.617 -177.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.483 ' HB3' ' CE1' ' A' ' 50' ' ' TYR . 3.7 t0 -107.8 9.16 29.01 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.249 0.547 . . . . 0.0 110.353 -179.632 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.5 ' HG3' ' CE2' ' A' ' 50' ' ' TYR . 1.9 tt0 -101.1 -172.02 2.1 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.151 179.781 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.429 ' HD3' ' HB3' ' A' ' 102' ' ' GLU . 0.0 OUTLIER 52.85 44.72 29.97 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.274 -0.875 . . . . 0.0 112.552 173.018 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.438 HD12 ' O ' ' A' ' 49' ' ' SER . 7.8 mt -96.03 8.39 43.85 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.271 0.558 . . . . 0.0 110.073 177.018 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.736 HG12 HD21 ' A' ' 21' ' ' LEU . 10.5 mt -86.69 126.8 40.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.3 -177.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.451 ' HB ' ' HB2' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -100.45 126.79 46.88 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 169.707 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 107' ' ' ARG . 0.0 OUTLIER -64.4 163.41 13.24 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -171.198 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.83 ' H ' HD22 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -63.33 -174.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.241 -1.345 . . . . 0.0 111.991 -178.006 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.626 ' HB2' ' C ' ' A' ' 18' ' ' ARG . 5.9 mm-40 -82.03 84.12 7.08 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 121.689 0.757 . . . . 0.0 111.925 -173.77 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 26.2 p30 -162.03 20.3 0.1 Allowed 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.489 -179.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 25.4 m 71.8 -49.65 0.69 Allowed 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 176.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.63 160.95 37.77 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 178.073 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.455 ' HE2' HG23 ' A' ' 47' ' ' THR . 0.1 OUTLIER -62.46 -26.18 68.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.543 0.211 . . . . 0.0 110.824 179.871 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -70.56 95.59 1.1 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 171.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -72.57 94.99 1.77 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.927 -172.211 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -101.01 69.53 1.31 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.92 175.346 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -73.18 -33.94 65.72 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.006 -179.277 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 160.08 -166.18 35.04 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.304 177.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 5.7 tp -91.69 -25.04 5.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 176.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -118.27 120.33 37.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.491 174.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.44 ' HB3' ' H ' ' A' ' 122' ' ' GLU . 5.9 t70 -108.16 -97.62 0.37 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.106 -178.498 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.44 ' H ' ' HB3' ' A' ' 121' ' ' ASP . 72.4 mm-40 . . . . . 0 C--O 1.251 1.159 0 CA-C-O 118.072 -0.966 . . . . 0.0 109.13 176.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.724 0 N-CA-C 111.922 -0.471 . . . . 0.0 111.922 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 51.28 43.86 29.12 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.019 0.438 . . . . 0.0 111.342 -179.211 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.469 HD22 ' HA ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -90.48 53.01 2.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.2 0.524 . . . . 0.0 110.777 -178.817 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.82 176.06 8.32 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.595 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -101.12 149.68 23.71 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 178.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.65 ' HA ' ' HD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -67.85 89.77 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.305 -177.038 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.41 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -130.6 138.98 50.39 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.725 176.184 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.1 t -79.7 149.14 31.3 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.426 -176.131 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -112.26 -0.05 15.6 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.558 173.356 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.594 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -92.14 -59.2 1.32 Allowed Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.03 179.095 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.3 p -93.79 -34.07 13.33 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 174.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 109.7 -3.57 30.65 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.545 -0.836 . . . . 0.0 113.616 171.222 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.92 -155.68 21.68 Favored Glycine 0 N--CA 1.432 -1.595 0 C-N-CA 120.012 -1.09 . . . . 0.0 112.366 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -103.47 149.47 24.81 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-N 115.003 -0.598 . . . . 0.0 110.159 176.449 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.605 HG21 ' HB2' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -100.25 105.16 17.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.178 0.513 . . . . 0.0 111.086 -179.733 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -115.18 13.76 16.84 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.612 0.72 . . . . 0.0 109.283 175.101 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.3 173.0 13.02 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.828 -1.078 . . . . 0.0 110.092 178.17 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.649 ' HA ' ' HA3' ' A' ' 118' ' ' GLY . 36.1 ttm-85 -91.08 -31.09 16.39 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.384 0.612 . . . . 0.0 109.677 178.055 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -100.99 113.28 26.12 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.942 179.182 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.605 ' HB2' HG21 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -141.41 159.97 41.12 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.884 0.373 . . . . 0.0 110.683 -178.733 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.487 HD21 HG23 ' A' ' 105' ' ' ILE . 0.4 OUTLIER -123.51 146.43 48.09 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.962 -179.462 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.493 ' HD2' HG22 ' A' ' 106' ' ' THR . 1.7 m-85 -112.75 117.68 32.89 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 173.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.468 ' HB1' HD13 ' A' ' 104' ' ' LEU . . . -146.52 131.16 17.85 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.908 -0.133 . . . . 0.0 110.937 -176.33 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.425 ' SD ' HG21 ' A' ' 51' ' ' THR . 9.9 mtm 64.38 29.7 13.45 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 123.622 0.576 . . . . 0.0 110.917 -179.096 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 64.61 15.61 9.8 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.976 -176.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.18 167.75 11.53 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 173.806 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.65 ' HD2' ' HA ' ' A' ' 6' ' ' LYS . 11.1 m-85 -111.3 151.31 28.52 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.533 -178.556 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 29.7 m95 -142.81 171.73 13.65 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.922 -173.062 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.664 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 27.4 m80 -96.59 163.3 13.08 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 168.673 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.13 -45.61 83.37 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -175.749 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.458 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.7 OUTLIER -99.0 -0.79 41.32 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 121.102 -0.239 . . . . 0.0 111.166 -179.685 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.664 ' SG ' ' HB2' ' A' ' 29' ' ' HIS . 22.2 m -79.3 -30.39 42.86 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 174.453 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.616 ' O ' ' HB2' ' A' ' 42' ' ' LEU . 8.9 tp -86.32 61.19 6.68 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.377 -0.829 . . . . 0.0 108.795 169.414 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.458 ' HB3' ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -92.87 157.98 16.09 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.948 -178.229 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.504 ' HB3' ' H ' ' A' ' 39' ' ' GLN . 0.1 OUTLIER -75.43 -176.19 3.08 Favored 'General case' 0 N--CA 1.438 -1.029 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.271 -178.763 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -106.51 -45.76 4.17 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.902 -179.146 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.461 ' HB3' HD21 ' A' ' 65' ' ' LEU . 45.5 p -103.44 -40.85 6.19 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.744 -177.343 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -86.78 -21.12 26.7 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 119.983 -0.687 . . . . 0.0 109.514 176.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.504 ' H ' ' HB3' ' A' ' 35' ' ' CYS . 2.5 mm-40 45.33 42.86 7.78 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 114.753 -1.112 . . . . 0.0 111.758 174.249 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -89.69 169.17 11.53 Favored 'General case' 0 N--CA 1.428 -1.535 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.364 177.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -78.36 87.59 4.39 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-N 114.779 -1.1 . . . . 0.0 109.364 176.015 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.616 ' HB2' ' O ' ' A' ' 33' ' ' LEU . 6.0 mt -59.51 -27.8 66.48 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.368 -176.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.41 ' HA2' ' CD1' ' A' ' 21' ' ' LEU . . . -76.55 -0.35 67.28 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.701 -0.681 . . . . 0.0 113.427 179.206 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.63 -29.93 14.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.03 0.443 . . . . 0.0 110.578 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 7.7 pt -93.98 -33.81 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.464 -177.252 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.755 ' HA2' HG21 ' A' ' 105' ' ' ILE . . . 70.54 21.71 77.71 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.857 178.291 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.472 ' O ' HD12 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -91.09 -167.58 1.85 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.815 0.341 . . . . 0.0 111.122 -179.114 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.74 134.24 39.23 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.736 -173.657 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.53 ' OG ' HG13 ' A' ' 105' ' ' ILE . 2.1 p -129.9 152.34 49.47 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.204 176.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -124.3 155.28 38.95 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.628 0.251 . . . . 0.0 110.629 -176.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.425 HG21 ' SD ' ' A' ' 24' ' ' MET . 5.1 m -118.67 111.71 18.87 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.622 -175.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -153.71 143.32 21.74 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.748 176.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 71.9 m 67.14 21.26 10.12 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.555 0.534 . . . . 0.0 111.441 -176.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 69.99 17.54 73.71 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.815 -0.707 . . . . 0.0 111.491 -176.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.01 164.97 13.91 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.842 0.353 . . . . 0.0 110.597 -176.447 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 44.2 mm -117.11 128.89 74.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.611 178.16 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.85 ' HB3' ' HB3' ' A' ' 61' ' ' ASP . 0.7 OUTLIER -138.41 145.08 40.56 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 -175.12 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 30.4 p -76.82 174.91 9.96 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 173.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.497 ' O ' HG12 ' A' ' 63' ' ' ILE . 4.0 tpp85 -58.59 -40.01 81.96 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.963 0.411 . . . . 0.0 110.539 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -66.28 -42.71 88.06 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.949 177.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.85 ' HB3' ' HB3' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -62.06 -41.92 98.65 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.937 177.504 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -54.9 -52.16 63.77 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.571 -176.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.497 HG12 ' O ' ' A' ' 59' ' ' ARG . 2.1 mm -68.48 -29.66 44.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.027 0.442 . . . . 0.0 110.914 -179.262 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -69.85 -41.09 75.35 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.73 178.222 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.505 HD13 ' HA ' ' A' ' 65' ' ' LEU . 0.4 OUTLIER -86.0 -57.93 2.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.147 -173.916 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.418 ' O ' ' HZ ' ' A' ' 97' ' ' PHE . 3.5 m-85 -122.2 19.48 10.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.669 -0.241 . . . . 0.0 111.186 -174.451 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.56 ' HA2' ' HE1' ' A' ' 97' ' ' PHE . . . -68.21 -13.35 64.63 Favored Glycine 0 C--O 1.236 0.274 0 C-N-CA 121.278 -0.487 . . . . 0.0 113.137 -178.174 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.462 ' HB3' ' H ' ' A' ' 69' ' ' SER . 8.8 t-20 57.8 -112.1 0.63 Allowed 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 122.983 0.513 . . . . 0.0 111.418 177.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.462 ' H ' ' HB3' ' A' ' 68' ' ' ASN . 0.9 OUTLIER -83.82 30.85 0.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.621 -178.672 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 68.29 52.13 28.7 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 121.149 -0.548 . . . . 0.0 112.604 178.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.475 ' O ' ' HA ' ' A' ' 96' ' ' GLU . . . -79.53 61.83 3.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.198 0.523 . . . . 0.0 110.862 -179.456 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.507 ' HA2' ' HA ' ' A' ' 96' ' ' GLU . . . -139.0 108.88 0.62 Allowed Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.731 179.688 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.425 ' N ' ' HG2' ' A' ' 96' ' ' GLU . . . -130.91 78.61 0.37 Allowed Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.07 -179.508 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.47 132.1 44.26 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.594 0.235 . . . . 0.0 110.443 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 176.75 178.91 46.87 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 121.05 -0.595 . . . . 0.0 111.996 -178.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -84.89 -13.63 71.68 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.976 -178.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -71.3 -27.19 63.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.76 0.28 . . . . 0.0 111.0 -179.06 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.89 -50.06 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.016 0.436 . . . . 0.0 110.016 179.264 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.565 ' O ' ' HG3' ' A' ' 96' ' ' GLU . . . 78.59 -102.54 1.87 Allowed Glycine 0 N--CA 1.442 -0.941 0 C-N-CA 120.89 -0.671 . . . . 0.0 111.865 -178.276 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -94.23 133.96 37.2 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 120.975 0.417 . . . . 0.0 110.562 177.735 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 147.93 60.35 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -177.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -101.88 41.04 2.22 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.269 -177.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -123.54 172.98 8.34 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 176.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 22.0 t 60.22 71.84 0.1 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.33 0 O-C-N 123.804 0.69 . . . . 0.0 109.776 -176.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.413 ' O ' ' HB ' ' A' ' 86' ' ' VAL . 0.0 OUTLIER 75.58 172.75 0.25 Allowed 'General case' 0 C--O 1.232 0.147 0 CA-C-N 114.766 -1.107 . . . . 0.0 110.384 -173.757 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.443 HG21 ' O ' ' A' ' 93' ' ' MET . 0.5 OUTLIER 88.11 -19.76 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 C-N-CA 123.965 0.906 . . . . 0.0 111.142 -176.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -90.02 98.05 7.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.48 177.302 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 104.41 -61.71 0.4 Allowed Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.365 -179.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.446 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 0.0 OUTLIER -75.98 150.87 83.85 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-O 120.731 0.3 . . . . 0.0 110.619 179.894 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 89' ' ' GLU . 5.3 Cg_exo -76.94 51.17 3.32 Favored 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 123.299 2.666 . . . . 0.0 112.548 -178.274 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 68.7 m -76.06 129.51 36.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.184 178.045 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -89.63 75.28 7.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.855 0.36 . . . . 0.0 110.566 -178.244 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.443 ' O ' HG21 ' A' ' 86' ' ' VAL . 0.2 OUTLIER -165.59 -161.04 0.49 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.913 -179.31 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 60.26 -156.84 29.22 Favored Glycine 0 N--CA 1.45 -0.377 0 O-C-N 123.454 0.471 . . . . 0.0 113.526 176.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -171.84 -126.86 0.91 Allowed Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 111.34 -0.704 . . . . 0.0 111.34 179.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.565 ' HG3' ' O ' ' A' ' 79' ' ' GLY . 0.1 OUTLIER -77.63 128.12 33.58 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 174.36 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.56 ' HE1' ' HA2' ' A' ' 67' ' ' GLY . 1.3 p90 -84.47 166.63 17.12 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.503 -178.554 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.98 6.55 56.94 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.727 -0.749 . . . . 0.0 111.393 -174.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.41 ' O ' ' HB2' ' A' ' 102' ' ' GLU . 0.2 OUTLIER -66.64 -21.62 66.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.026 0.441 . . . . 0.0 110.909 -179.604 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.28 -17.52 63.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 177.422 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -107.17 18.16 22.04 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.025 0.44 . . . . 0.0 110.858 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 99' ' ' ASP . 1.2 mm-40 -68.23 167.65 13.88 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.192 -179.671 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.48 71.02 0.54 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.05 178.476 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.468 HD13 ' HB1' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -113.53 -41.9 3.55 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.886 -179.825 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.755 HG21 ' HA2' ' A' ' 46' ' ' GLY . 54.2 mt -85.36 120.44 35.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.238 0.542 . . . . 0.0 111.639 -177.474 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.493 HG22 ' HD2' ' A' ' 22' ' ' TYR . 81.5 m -126.0 101.54 6.85 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 171.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.37 153.99 30.01 Favored 'General case' 0 C--N 1.318 -0.784 0 O-C-N 121.721 -0.612 . . . . 0.0 111.381 -170.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.44 104.14 3.89 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.513 176.29 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.543 ' HG3' ' CB ' ' A' ' 112' ' ' GLN . 4.0 pt-20 -114.84 140.26 49.09 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.51 -175.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.56 -60.39 3.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.74 -176.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -80.75 59.33 3.62 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -176.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.543 ' CB ' ' HG3' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -174.91 -50.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.217 177.661 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -83.03 164.13 20.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.447 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -72.66 -46.72 52.49 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.096 0.474 . . . . 0.0 110.329 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -83.37 160.14 21.69 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.676 177.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -90.64 177.4 6.36 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.668 179.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.53 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 9.0 t-20 -149.32 172.78 14.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.264 177.527 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.649 ' HA3' ' HA ' ' A' ' 18' ' ' ARG . . . 80.48 -71.23 2.86 Favored Glycine 0 N--CA 1.45 -0.419 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 -176.178 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 5.0 mm -111.14 57.5 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 172.051 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.22 132.62 34.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.837 -174.415 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -100.63 108.86 20.85 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.694 -178.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.789 -0.624 . . . . 0.0 109.376 178.484 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.654 0 N-CA-C 112.0 -0.44 . . . . 0.0 112.0 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.4 m -93.29 136.79 33.22 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.988 0.423 . . . . 0.0 110.674 179.013 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.482 HD23 ' HB1' ' A' ' 16' ' ' ALA . 10.1 tp -137.65 171.33 14.61 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.607 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.485 ' HB3' ' CE2' ' A' ' 27' ' ' TYR . 74.0 m -77.24 72.23 3.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.417 0.627 . . . . 0.0 110.532 178.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.516 ' CE3' ' HB3' ' A' ' 14' ' ' LYS . 24.0 m95 -74.7 -80.67 0.08 Allowed 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.743 -178.535 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.619 ' HE3' ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 55.35 -128.99 2.12 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.659 179.767 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.503 ' H ' ' HB3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -166.11 153.42 9.95 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.817 172.309 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 53.9 t -75.59 134.53 40.66 Favored 'General case' 0 N--CA 1.439 -1.016 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.579 175.033 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -92.98 0.93 57.51 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.965 176.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.833 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -94.58 -56.57 1.33 Allowed Glycine 0 N--CA 1.444 -0.807 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.553 -179.18 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.1 p -103.88 -24.96 13.23 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.823 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 88.09 109.0 1.01 Allowed Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.581 -179.019 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 154.94 143.37 3.65 Favored Glycine 0 N--CA 1.434 -1.446 0 C-N-CA 120.716 -0.754 . . . . 0.0 111.813 -177.259 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.516 ' HB3' ' CE3' ' A' ' 5' ' ' TRP . 0.0 OUTLIER -60.57 122.71 15.36 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.339 -0.431 . . . . 0.0 110.057 177.594 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.536 HG22 ' HB2' ' A' ' 17' ' ' ASP . 1.7 mt -89.77 -94.96 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 111.776 0.288 . . . . 0.0 111.776 -174.189 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.482 ' HB1' HD23 ' A' ' 3' ' ' LEU . . . 60.05 30.67 20.13 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.212 0.53 . . . . 0.0 110.391 -174.055 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.536 ' HB2' HG22 ' A' ' 15' ' ' ILE . 1.2 m-20 -79.68 166.16 22.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.111 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -71.16 -31.39 67.63 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 174.019 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -119.31 95.97 5.02 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.601 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.572 ' H ' HD12 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -133.33 176.43 8.53 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.231 0.538 . . . . 0.0 110.603 176.738 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.085 HD21 HG23 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -129.63 162.05 29.17 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.227 177.939 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.598 ' HD1' ' HB ' ' A' ' 106' ' ' THR . 0.4 OUTLIER -135.09 134.8 40.68 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 174.124 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.964 ' HB1' ' HA ' ' A' ' 84' ' ' VAL . . . -149.43 108.26 3.86 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.302 -176.493 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.467 ' HG3' ' HB ' ' A' ' 84' ' ' VAL . 0.0 OUTLIER 60.14 59.98 2.21 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.673 -179.546 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 71.58 -33.56 0.27 Allowed 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 178.709 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.46 148.65 24.86 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.687 0.279 . . . . 0.0 110.496 -179.59 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.619 ' CE2' ' HE3' ' A' ' 6' ' ' LYS . 8.9 m-30 -96.84 162.05 13.59 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.915 0.388 . . . . 0.0 110.407 -178.017 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.663 ' HZ2' ' HA ' ' A' ' 85' ' ' MET . 70.2 m95 -146.82 178.25 8.47 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.697 -176.28 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.675 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 24.5 m80 -101.85 162.72 12.69 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 164.016 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.15 -18.46 61.88 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.221 -0.591 . . . . 0.0 110.691 -179.079 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -94.9 -27.72 15.56 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.367 175.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.833 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 58.8 m -78.49 -16.58 57.35 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.093 0.473 . . . . 0.0 109.929 176.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.657 ' HG ' HD22 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -75.41 77.39 2.47 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 167.781 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.72 162.44 26.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.155 -166.425 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.744 ' HB3' ' H ' ' A' ' 39' ' ' GLN . 0.3 OUTLIER -75.51 166.34 23.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.597 176.739 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.447 ' OG ' HG12 ' A' ' 56' ' ' ILE . 1.5 m -99.4 7.17 45.74 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 166.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.483 ' HB2' ' OD2' ' A' ' 61' ' ' ASP . 0.3 OUTLIER -121.9 -77.05 0.58 Allowed 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.997 -176.265 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 22.7 p -79.42 -26.25 41.89 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.731 0.301 . . . . 0.0 110.933 -178.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.744 ' H ' ' HB3' ' A' ' 35' ' ' CYS . 59.0 mt-30 55.03 39.44 31.59 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.245 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -84.45 -154.36 0.17 Allowed 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.785 177.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.974 ' HG2' ' HB2' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -94.73 87.28 4.99 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 121.202 0.525 . . . . 0.0 109.842 176.736 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.842 HD23 ' HA2' ' A' ' 82' ' ' GLY . 5.0 mp -79.36 -6.73 57.44 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.202 -178.373 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -105.74 38.54 3.25 Favored Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.093 177.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.974 ' HB2' ' HG2' ' A' ' 41' ' ' GLN . 0.3 OUTLIER -152.38 48.33 0.75 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.531 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.633 HD13 ' HB2' ' A' ' 80' ' ' SER . 1.0 OUTLIER -135.22 9.79 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.495 -173.112 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 102.05 -122.81 7.67 Favored Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 -173.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.457 ' HA ' ' HB ' ' A' ' 105' ' ' ILE . 1.4 t -144.47 99.32 3.34 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.834 0.826 . . . . 0.0 111.183 170.222 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.478 ' HA ' ' O ' ' A' ' 103' ' ' ARG . 0.0 OUTLIER -166.16 113.86 0.91 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.426 170.675 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.6 ' HA ' ' N ' ' A' ' 82' ' ' GLY . 1.8 p -107.81 177.76 4.72 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 178.319 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.61 ' HE2' ' HA ' ' A' ' 59' ' ' ARG . 2.5 m-85 -133.0 101.42 5.22 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.533 177.05 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.677 HG23 HG22 ' A' ' 86' ' ' VAL . 0.2 OUTLIER -89.82 102.57 15.27 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.437 178.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.8 tptt -149.73 126.02 10.77 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 121.251 -0.18 . . . . 0.0 111.066 -178.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 58.6 m 61.97 13.09 5.33 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 174.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.56 ' HA3' ' HD2' ' A' ' 90' ' ' PRO . . . 69.81 25.82 75.12 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 119.687 -1.244 . . . . 0.0 110.459 -172.794 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.09 138.88 52.58 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.781 HD13 ' HB ' ' A' ' 86' ' ' VAL . 0.1 OUTLIER -92.53 125.13 45.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.299 179.631 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.401 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 0.9 OUTLIER -135.21 151.31 50.5 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.636 179.657 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.666 ' HA ' ' HA3' ' A' ' 81' ' ' GLY . 9.8 p -89.08 -175.77 4.92 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 171.241 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.757 ' HB2' ' HA ' ' A' ' 80' ' ' SER . 9.7 tpt180 -63.36 -46.51 86.23 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.694 -0.402 . . . . 0.0 109.926 177.708 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.79 -46.74 80.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.246 178.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.635 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 22.3 m-20 -75.77 -19.97 58.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.526 -174.474 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -66.79 -45.82 77.23 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 174.027 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.702 HG23 ' HZ ' ' A' ' 97' ' ' PHE . 2.5 mm -69.97 -23.74 25.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.293 0.568 . . . . 0.0 110.451 177.673 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.515 ' HB3' ' HA ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -76.26 -48.67 19.43 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.822 179.838 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.76 -34.21 15.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.974 -174.736 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -126.67 25.39 6.43 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.466 -174.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.489 ' HA2' ' CE1' ' A' ' 97' ' ' PHE . . . -65.11 -32.19 83.24 Favored Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 175.378 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -118.84 82.32 1.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 173.219 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.58 -13.11 28.09 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.225 -172.294 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 133.61 -34.76 2.37 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.636 -0.792 . . . . 0.0 111.921 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -135.68 161.67 34.9 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 177.347 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -104.8 -130.78 6.9 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.405 -178.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.35 63.01 1.82 Allowed Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.179 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.737 ' HB3' ' HB3' ' A' ' 99' ' ' ASP . 0.7 OUTLIER -140.05 134.16 30.99 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.672 0.272 . . . . 0.0 110.749 -178.791 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -147.5 -0.25 0.61 Allowed Glycine 0 CA--C 1.519 0.343 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.949 -179.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -95.49 161.74 23.2 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.54 -178.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -127.86 -24.64 3.19 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.809 0.337 . . . . 0.0 111.211 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.1 tpt -76.9 129.69 36.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.222 -177.398 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.533 ' O ' ' HD3' ' A' ' 59' ' ' ARG . . . 124.78 124.48 2.84 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.355 178.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.757 ' HA ' ' HB2' ' A' ' 59' ' ' ARG . 3.1 m -101.02 -165.3 1.19 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 178.363 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.666 ' HA3' ' HA ' ' A' ' 58' ' ' CYS . . . -123.57 160.49 18.1 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.841 -177.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.85 ' HA3' HD11 ' A' ' 105' ' ' ILE . . . 178.29 -169.48 41.22 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 121.104 -0.569 . . . . 0.0 112.456 -179.251 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.643 ' HB3' HD22 ' A' ' 33' ' ' LEU . 2.8 t0 -95.21 159.38 15.04 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 122.973 0.509 . . . . 0.0 111.724 -178.091 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.964 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -159.04 53.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.936 175.322 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.663 ' HA ' ' HZ2' ' A' ' 28' ' ' TRP . 2.7 tpt 61.61 44.08 9.38 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.825 0.821 . . . . 0.0 109.103 -172.755 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.781 ' HB ' HD13 ' A' ' 56' ' ' ILE . 10.7 t -98.6 3.1 10.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 114.733 -1.121 . . . . 0.0 110.016 -175.699 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.4 m -79.16 169.09 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.138 177.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 90.5 -133.38 11.77 Favored Glycine 0 N--CA 1.443 -0.859 0 N-CA-C 111.499 -0.641 . . . . 0.0 111.499 -177.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -142.04 67.82 22.41 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-O 120.963 0.411 . . . . 0.0 110.377 175.445 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.56 ' HD2' ' HA3' ' A' ' 54' ' ' GLY . 4.8 Cg_exo -73.49 135.65 22.49 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 122.653 2.235 . . . . 0.0 111.357 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.04 55.61 1.82 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.205 0.526 . . . . 0.0 111.04 -179.552 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.44 HD12 ' HB2' ' A' ' 90' ' ' PRO . 0.1 OUTLIER -67.79 126.13 28.43 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.657 -179.33 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -70.48 143.62 51.66 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.415 179.553 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -78.77 171.57 55.13 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.204 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -159.82 -143.43 3.66 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.892 -0.671 . . . . 0.0 111.876 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.21 -166.86 1.35 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.811 0.339 . . . . 0.0 110.758 178.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.702 ' HZ ' HG23 ' A' ' 63' ' ' ILE . 2.1 t80 -76.53 102.85 6.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.522 175.425 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.527 ' HA3' ' HB2' ' A' ' 101' ' ' ASP . . . -87.45 99.18 2.46 Favored Glycine 0 N--CA 1.443 -0.876 0 C-N-CA 120.732 -0.747 . . . . 0.0 113.734 -171.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.737 ' HB3' ' HB3' ' A' ' 74' ' ' SER . 21.7 p-10 -77.88 -35.57 50.72 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 170.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -98.59 29.56 3.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.932 175.057 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.527 ' HB2' ' HA3' ' A' ' 98' ' ' GLY . 0.4 OUTLIER -89.93 2.99 54.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.285 179.892 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.412 ' HG3' ' H ' ' A' ' 102' ' ' GLU . 0.1 OUTLIER -70.22 119.82 14.99 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.501 -178.477 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.478 ' O ' ' HA ' ' A' ' 48' ' ' SER . 3.0 tpp180 -93.94 -145.65 0.24 Allowed 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.559 -177.48 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.791 HD22 ' H ' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -116.11 149.24 39.31 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -174.536 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 1.085 HG23 HD21 ' A' ' 21' ' ' LEU . 9.0 mt -135.72 118.29 22.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 171.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.598 ' HB ' ' HD1' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -91.23 87.4 6.49 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.173 0.511 . . . . 0.0 110.637 -177.452 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.445 ' HA ' ' HD2' ' A' ' 107' ' ' ARG . 0.0 OUTLIER -95.27 81.55 3.64 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.532 179.136 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.1 mt -125.36 102.88 7.63 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.145 0.498 . . . . 0.0 110.812 -178.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -75.68 157.41 33.68 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.846 178.047 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -59.06 -37.94 78.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.401 0.62 . . . . 0.0 110.652 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.404 ' O ' ' HB3' ' A' ' 115' ' ' ALA . 0.0 OUTLIER -83.11 -6.55 59.53 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.556 -179.125 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.2 -0.57 53.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.19 0.519 . . . . 0.0 110.455 179.532 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -84.3 -23.36 30.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.197 -178.384 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -149.58 -49.36 0.14 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.525 -177.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 111' ' ' THR . . . -61.41 -58.2 9.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.897 0.38 . . . . 0.0 110.982 -177.681 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -100.31 153.96 18.88 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 175.218 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 66.84 -76.91 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.218 0.607 . . . . 0.0 111.351 -179.199 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 124.1 -46.49 1.09 Allowed Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.315 178.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 6.1 tp -162.58 152.27 3.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -131.43 171.19 13.68 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 -178.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -85.87 61.26 6.74 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.391 0.615 . . . . 0.0 110.309 178.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 . . . . . 0 C--O 1.245 0.863 0 CA-C-O 118.551 -0.738 . . . . 0.0 110.345 -177.891 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.709 0 N-CA-C 111.634 -0.587 . . . . 0.0 111.634 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -133.25 74.41 1.56 Allowed 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.006 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.2 tp 64.71 28.73 13.02 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.063 -174.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.99 114.36 28.4 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.292 -179.708 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -112.92 148.1 35.69 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.839 -178.309 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.695 ' HD2' ' HB ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -65.66 81.57 0.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.342 -178.167 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.585 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -122.2 146.7 47.0 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.202 177.827 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.55 ' HB2' HG12 ' A' ' 15' ' ' ILE . 46.2 t -87.55 143.64 27.1 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.431 178.753 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -104.86 3.49 31.06 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.65 175.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.781 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -94.39 -40.99 4.34 Favored Glycine 0 N--CA 1.445 -0.759 0 CA-C-N 115.636 -0.711 . . . . 0.0 113.009 -176.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.453 ' SG ' ' N ' ' A' ' 12' ' ' GLY . 23.8 p -117.2 -88.26 0.6 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 117.05 0.425 . . . . 0.0 111.677 -177.642 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.453 ' N ' ' SG ' ' A' ' 11' ' ' CYS . . . -110.76 -113.22 3.43 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.872 -0.68 . . . . 0.0 113.364 -174.508 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.49 ' HA2' ' NH2' ' A' ' 7' ' ' ARG . . . -116.78 -119.9 3.11 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.677 -0.773 . . . . 0.0 113.125 -175.184 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 7' ' ' ARG . 4.0 mttt -62.27 138.38 58.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.088 0.471 . . . . 0.0 111.406 -177.568 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.695 ' HB ' ' HD2' ' A' ' 6' ' ' LYS . 38.8 mt -86.69 104.48 14.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.356 -179.708 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.89 -6.65 59.34 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.772 177.2 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.35 150.65 47.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.962 177.522 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.46 -19.03 24.34 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.997 0.427 . . . . 0.0 110.076 177.736 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -114.36 115.55 27.52 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.702 176.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.605 ' HG ' ' HD3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -146.52 177.58 8.94 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.549 -177.117 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.726 HD23 HD23 ' A' ' 33' ' ' LEU . 4.7 tp -132.4 156.72 46.17 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 -178.147 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.668 ' HD2' ' CD1' ' A' ' 27' ' ' TYR . 1.8 m-85 -123.0 130.48 52.85 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 178.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.583 ' HA ' ' O ' ' A' ' 104' ' ' LEU . . . -153.25 137.93 16.95 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.614 -0.435 . . . . 0.0 112.063 -176.324 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.5 ' HA ' HD22 ' A' ' 104' ' ' LEU . 4.8 mpp? 57.72 38.6 27.54 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.421 175.373 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 65.48 13.14 8.68 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.668 178.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.3 162.3 21.75 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 171.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.668 ' CD1' ' HD2' ' A' ' 22' ' ' TYR . 6.9 m-85 -105.12 151.31 24.18 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 120.442 -0.503 . . . . 0.0 109.66 178.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 62.0 m95 -143.72 179.28 7.24 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.362 -170.34 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.606 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 12.6 m80 -100.69 163.8 12.17 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 166.086 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.13 -34.46 78.44 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.516 0.675 . . . . 0.0 109.725 175.327 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -86.33 -16.95 35.84 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.41 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.781 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 99.9 m -93.86 -30.8 14.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.442 -178.186 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.726 HD23 HD23 ' A' ' 21' ' ' LEU . 38.6 tp -82.16 87.63 6.51 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 174.12 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.792 ' HB2' ' HA ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -127.45 154.13 45.44 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.496 -174.273 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.736 ' HB3' ' H ' ' A' ' 39' ' ' GLN . 13.1 t -66.83 152.59 45.3 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 175.425 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.4 m -77.02 -15.03 59.75 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.142 0.496 . . . . 0.0 110.011 176.128 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -111.73 -37.29 5.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.322 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.56 ' CB ' ' HB2' ' A' ' 41' ' ' GLN . 34.5 m -103.65 -41.23 6.01 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 -173.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.792 ' HA ' ' HB2' ' A' ' 34' ' ' LYS . 5.9 mp0 75.0 -37.39 0.35 Allowed 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.28 0.632 . . . . 0.0 111.846 -175.26 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.24 -26.58 13.87 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 121.947 -0.47 . . . . 0.0 111.888 -176.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.836 ' HG3' HG12 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -63.81 -25.17 68.05 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -172.817 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.632 HD12 ' HG ' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -60.39 -30.97 69.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.854 0.359 . . . . 0.0 111.533 -177.02 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -128.6 36.78 2.38 Favored Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 120.467 -0.873 . . . . 0.0 111.982 178.333 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -122.15 -62.99 1.33 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.824 0.345 . . . . 0.0 111.185 -178.292 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.836 HG12 ' HG3' ' A' ' 41' ' ' GLN . 1.2 pt -81.87 41.08 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.611 -177.706 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 87.22 134.4 4.15 Favored Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 110.489 -1.044 . . . . 0.0 110.489 -174.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.91 103.92 8.15 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.38 0.61 . . . . 0.0 110.548 -174.138 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.401 ' HB2' ' HG3' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -160.05 114.4 2.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.458 -178.523 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.3 p -107.84 170.53 7.93 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 110.232 -0.285 . . . . 0.0 110.232 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.616 ' HE1' ' H ' ' A' ' 101' ' ' ASP . 2.7 m-85 -138.77 118.77 13.36 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.732 0.301 . . . . 0.0 110.862 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.17 102.57 14.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.808 -176.714 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.9 ' HE2' HD12 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -157.47 142.51 16.87 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 173.829 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 m 65.9 4.69 3.08 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 67.34 15.31 65.58 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.831 -0.699 . . . . 0.0 111.671 -176.381 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.8 117.18 31.45 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 121.023 0.439 . . . . 0.0 110.034 -176.381 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 24.2 mt -69.07 113.47 4.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.887 -175.005 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.9 HD12 ' HE2' ' A' ' 52' ' ' LYS . 35.6 mt -118.92 162.17 18.96 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.021 177.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.573 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 9.3 p -85.71 173.97 9.71 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.389 172.506 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.401 ' HG3' ' HB2' ' A' ' 48' ' ' SER . 0.2 OUTLIER -65.77 -28.44 69.02 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.702 178.175 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -82.43 -38.41 24.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.287 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.61 ' HA ' ' HB2' ' A' ' 64' ' ' ARG . 10.7 m-20 -69.8 -27.75 65.16 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-O 120.918 0.389 . . . . 0.0 110.586 -178.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.668 ' HE1' ' HG2' ' A' ' 52' ' ' LYS . 56.2 t80 -60.21 -47.07 87.5 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.033 174.618 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.486 ' HA ' ' HA3' ' A' ' 67' ' ' GLY . 6.8 mt -71.6 -26.35 26.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.991 0.424 . . . . 0.0 110.685 177.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.61 ' HB2' ' HA ' ' A' ' 61' ' ' ASP . 0.4 OUTLIER -63.47 -47.83 80.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.23 178.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.5 mt -105.2 -42.5 5.26 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -174.566 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -95.11 -19.2 20.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.743 0.306 . . . . 0.0 111.392 -175.596 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.486 ' HA3' ' HA ' ' A' ' 63' ' ' ILE . . . -76.95 75.45 1.71 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.743 -176.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -127.62 2.85 6.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.699 0.285 . . . . 0.0 111.194 -177.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.58 -26.26 41.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.143 -177.728 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.401 ' H ' ' HZ ' ' A' ' 97' ' ' PHE . . . 90.52 118.32 1.98 Allowed Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.312 -179.017 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -128.42 166.18 19.23 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.725 0.297 . . . . 0.0 110.551 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -118.45 104.31 1.1 Allowed Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.93 -0.652 . . . . 0.0 111.974 178.46 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -68.72 -15.83 69.29 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 121.317 -0.468 . . . . 0.0 112.863 -177.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.02 58.0 3.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.171 0.51 . . . . 0.0 111.185 178.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -160.53 -85.63 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.687 0 N-CA-C 111.284 -0.726 . . . . 0.0 111.284 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -77.91 130.88 10.52 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.648 -0.786 . . . . 0.0 111.408 174.405 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.75 57.38 3.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.088 0.47 . . . . 0.0 110.802 -178.104 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.487 ' SD ' HG22 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -127.92 21.91 6.31 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.262 179.876 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.95 -89.15 1.39 Allowed Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.26 -178.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.43 ' HB2' ' HB2' ' A' ' 97' ' ' PHE . 0.0 OUTLIER -74.37 -23.04 58.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.132 0.491 . . . . 0.0 110.977 -179.315 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.432 ' O ' ' HB2' ' A' ' 78' ' ' MET . . . 150.75 -88.32 0.14 Allowed Glycine 0 N--CA 1.443 -0.855 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.801 -179.545 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.413 ' CA ' ' HA3' ' A' ' 98' ' ' GLY . . . 76.34 -70.95 2.09 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.553 178.578 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.9 t0 62.71 34.86 14.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.307 0.575 . . . . 0.0 110.603 -179.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.487 HG22 ' SD ' ' A' ' 78' ' ' MET . 21.7 m -75.32 154.09 6.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.17 177.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.1 ttp 66.52 24.65 10.24 Favored 'General case' 0 N--CA 1.464 0.23 0 O-C-N 123.459 0.474 . . . . 0.0 110.768 -177.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 9.2 p -73.45 144.38 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.705 179.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.3 m -90.48 159.91 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 -177.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 91.73 -63.51 2.56 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.96 -0.638 . . . . 0.0 111.663 -177.252 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -116.26 112.43 41.77 Favored Pre-proline 0 C--N 1.321 -0.655 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 175.454 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -72.77 134.42 21.89 Favored 'Trans proline' 0 N--CA 1.464 -0.256 0 C-N-CA 122.524 2.15 . . . . 0.0 113.102 -174.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 55.23 65.69 1.42 Allowed 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.56 -0.746 . . . . 0.0 112.142 177.184 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.49 HD23 ' HA ' ' A' ' 92' ' ' LEU . 2.6 mt -109.57 149.08 30.18 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.292 176.653 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 4.3 ttp -108.81 56.9 0.61 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.223 0.535 . . . . 0.0 110.131 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.53 -35.38 89.92 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.699 -0.763 . . . . 0.0 111.919 -178.04 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -91.4 122.8 6.89 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 120.816 -0.706 . . . . 0.0 111.664 176.083 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.72 156.6 37.73 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 110.518 -0.179 . . . . 0.0 110.518 -179.638 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.478 ' CE1' ' HA2' ' A' ' 67' ' ' GLY . 1.8 m-85 59.68 24.99 13.88 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.255 0.55 . . . . 0.0 110.692 -177.614 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.413 ' HA3' ' CA ' ' A' ' 82' ' ' GLY . . . -134.17 99.09 0.33 Allowed Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.326 179.619 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.815 ' HA ' ' HB2' ' A' ' 102' ' ' GLU . 17.0 t0 60.44 49.18 7.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.236 0.541 . . . . 0.0 110.99 -175.6 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -74.36 -23.13 58.97 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 173.016 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.616 ' H ' ' HE1' ' A' ' 50' ' ' TYR . 45.4 t0 -177.98 53.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.037 -1.438 . . . . 0.0 108.02 178.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.815 ' HB2' ' HA ' ' A' ' 99' ' ' ASP . 5.2 mt-10 -99.71 -159.47 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.242 -171.541 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.9 30.12 15.39 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.86 175.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.583 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 11.8 mt -87.04 -23.59 24.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.063 -178.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.417 ' HA ' ' O ' ' A' ' 22' ' ' TYR . 46.7 mt -93.06 119.9 41.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.386 0.612 . . . . 0.0 111.622 -176.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.432 ' O ' ' HD1' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -104.86 128.32 53.01 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 114.904 -1.043 . . . . 0.0 109.819 175.915 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.14 102.74 11.86 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 177.407 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.605 ' HA ' ' NE2' ' A' ' 112' ' ' GLN . 0.5 OUTLIER -145.73 103.95 3.83 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.559 -178.346 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.2 mp0 -69.8 168.07 15.87 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.895 178.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -46.3 103.92 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.364 0 O-C-N 123.163 0.289 . . . . 0.0 111.087 -178.044 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.566 ' HB ' ' HB2' ' A' ' 115' ' ' ALA . 27.0 m 75.77 -51.41 0.63 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.264 -174.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.605 ' NE2' ' HA ' ' A' ' 108' ' ' LEU . 35.3 tt0 66.24 -74.21 0.06 Allowed 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 123.891 0.876 . . . . 0.0 111.097 179.387 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.38 109.54 0.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.734 0.302 . . . . 0.0 111.132 179.114 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 61.21 38.05 16.96 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.569 179.056 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.566 ' HB2' ' HB ' ' A' ' 111' ' ' THR . . . -100.34 134.31 43.47 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.54 178.309 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -79.44 -34.35 41.69 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.352 -177.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -102.74 -41.26 6.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.264 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.432 ' O ' ' HA ' ' A' ' 112' ' ' GLN . . . -83.02 56.89 5.08 Favored Glycine 0 C--O 1.227 -0.285 0 C-N-CA 120.751 -0.737 . . . . 0.0 111.957 175.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 2.1 tt -81.59 -52.92 13.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.419 0.152 . . . . 0.0 111.007 -177.293 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -168.83 177.39 5.06 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -178.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -133.66 -43.02 0.83 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.041 0.448 . . . . 0.0 110.538 176.525 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 . . . . . 0 C--O 1.245 0.847 0 CA-C-O 118.198 -0.906 . . . . 0.0 109.924 179.053 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.682 0 N-CA-C 111.788 -0.525 . . . . 0.0 111.788 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.52 147.91 45.53 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.791 0.329 . . . . 0.0 110.474 179.475 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.18 -57.66 0.96 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.771 -179.069 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.36 171.16 10.13 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.582 179.647 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -73.25 161.91 29.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.48 179.725 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.456 ' HE3' ' CZ ' ' A' ' 27' ' ' TYR . 1.6 mppt? -61.24 -53.82 51.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.495 -178.379 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.897 ' HG3' ' HG3' ' A' ' 14' ' ' LYS . 7.4 ttp180 63.46 166.61 0.14 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.2 -1.363 . . . . 0.0 111.696 177.213 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.563 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 40.9 t -79.57 132.18 36.22 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.142 177.46 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -95.89 7.71 45.61 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.073 176.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 1.037 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -97.56 -38.37 4.23 Favored Glycine 0 N--CA 1.446 -0.642 0 CA-C-N 115.8 -0.637 . . . . 0.0 112.462 179.726 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.477 ' SG ' ' N ' ' A' ' 12' ' ' GLY . 22.2 p -122.11 -94.23 0.5 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.277 0.561 . . . . 0.0 110.68 177.444 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.477 ' N ' ' SG ' ' A' ' 11' ' ' CYS . . . 172.15 64.83 0.04 OUTLIER Glycine 0 N--CA 1.442 -0.944 0 N-CA-C 110.462 -1.055 . . . . 0.0 110.462 -179.246 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -156.09 120.14 0.97 Allowed Glycine 0 N--CA 1.437 -1.259 0 N-CA-C 111.354 -0.698 . . . . 0.0 111.354 -175.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.897 ' HG3' ' HG3' ' A' ' 7' ' ' ARG . 1.2 mtpt -63.82 95.51 0.11 Allowed 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.538 -0.331 . . . . 0.0 110.188 -178.781 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.507 ' HB ' HD23 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -66.18 105.39 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.754 -176.774 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.49 -8.25 45.1 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.337 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.09 154.48 34.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.715 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.427 ' HB2' ' HB2' ' A' ' 110' ' ' ASN . 0.0 OUTLIER -84.66 5.38 28.33 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.535 179.508 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -122.79 88.88 3.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.786 179.424 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.507 HD23 ' HB ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -130.59 163.33 27.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.998 0.427 . . . . 0.0 110.937 -178.433 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.942 HD21 HG23 ' A' ' 105' ' ' ILE . 0.4 OUTLIER -102.35 146.49 27.97 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.043 175.279 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.515 ' HB2' ' HB ' ' A' ' 106' ' ' THR . 1.8 m-85 -116.38 122.23 44.23 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 -177.09 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.503 ' HB3' ' CD1' ' A' ' 28' ' ' TRP . . . -152.35 127.4 9.72 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.301 176.663 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.623 ' HG3' HD21 ' A' ' 104' ' ' LEU . 6.5 mtm 62.52 36.93 13.63 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.017 -178.761 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 62.93 10.8 4.6 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.679 -178.256 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -116.23 171.65 7.69 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 174.742 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.563 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 20.8 m-30 -107.9 156.6 19.0 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.96 0.41 . . . . 0.0 110.799 -177.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.503 ' CD1' ' HB3' ' A' ' 23' ' ' ALA . 59.9 m95 -141.36 163.17 33.66 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.117 -176.332 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.661 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 22.4 m80 -97.19 163.89 12.72 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 168.434 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.16 -42.62 96.66 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.896 0.379 . . . . 0.0 110.843 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.9 tpt85 -82.72 -14.29 54.84 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.029 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 1.037 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 69.0 m -85.46 -37.19 20.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.859 179.747 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.635 HD21 HG12 ' A' ' 105' ' ' ILE . 29.6 tp -82.14 68.93 8.75 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 171.526 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.44 ' HD3' ' O ' ' A' ' 32' ' ' CYS . 0.0 OUTLIER -119.75 165.57 14.36 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.668 -1.151 . . . . 0.0 110.802 -173.67 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.436 ' HB2' ' N ' ' A' ' 40' ' ' ALA . 1.0 OUTLIER -42.32 120.41 1.63 Allowed 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 113.314 -1.767 . . . . 0.0 110.748 174.78 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.34 -46.52 86.07 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -172.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.9 m -116.63 -20.01 9.75 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.969 0.414 . . . . 0.0 111.401 -174.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.24 -16.86 20.17 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.052 -172.324 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 65.5 mm-40 53.33 26.35 5.23 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 176.191 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.436 ' N ' ' HB2' ' A' ' 35' ' ' CYS . . . -83.26 -161.96 0.56 Allowed 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 169.637 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.843 ' HB3' ' HB2' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -101.74 118.48 37.02 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 177.238 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.607 HD12 ' HG ' ' A' ' 33' ' ' LEU . 10.7 mt -58.61 -60.74 3.33 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.02 0.438 . . . . 0.0 111.433 -176.758 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.73 40.69 3.04 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.893 -0.67 . . . . 0.0 113.165 -176.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.843 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . 28.2 t0 -108.63 -25.28 10.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.001 0.429 . . . . 0.0 110.985 178.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.502 HD13 ' HB2' ' A' ' 60' ' ' ASN . 0.9 OUTLIER -113.32 16.53 8.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.384 0.611 . . . . 0.0 109.977 178.171 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 126.96 124.74 2.75 Favored Glycine 0 N--CA 1.446 -0.688 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.765 -175.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.59 102.54 8.94 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 122.398 -0.472 . . . . 0.0 111.524 -173.533 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.432 ' HB3' ' HB2' ' A' ' 59' ' ' ARG . 0.4 OUTLIER -162.4 111.85 1.45 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.388 175.21 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.486 ' O ' ' HA ' ' A' ' 102' ' ' GLU . 1.2 p -104.37 139.87 38.72 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 178.529 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.702 ' HE2' ' HD3' ' A' ' 59' ' ' ARG . 2.2 m-85 -101.76 122.85 44.72 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.962 -177.722 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -97.3 104.49 16.51 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.92 179.08 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.417 ' O ' ' HG2' ' A' ' 55' ' ' MET . 0.1 OUTLIER -153.77 142.37 20.84 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.168 -179.855 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 66.1 m 65.47 21.64 11.84 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 123.547 0.529 . . . . 0.0 111.487 -179.161 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.01 8.77 79.07 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.852 -176.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.417 ' HG2' ' O ' ' A' ' 52' ' ' LYS . 2.8 ptp -120.81 168.1 11.8 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -179.507 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.561 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 5.4 mt -124.19 121.87 62.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.554 -178.437 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -113.24 -176.55 2.92 Favored 'General case' 0 CA--C 1.506 -0.714 0 CA-C-O 122.345 1.069 . . . . 0.0 111.179 177.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 1.083 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 0.1 OUTLIER -92.41 147.77 22.65 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-N 112.503 -2.135 . . . . 0.0 110.736 -179.006 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.702 ' HD3' ' HE2' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -64.29 -21.94 66.78 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.629 0.728 . . . . 0.0 109.65 173.886 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.502 ' HB2' HD13 ' A' ' 45' ' ' ILE . 19.2 t30 -84.01 -38.4 20.96 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.293 -0.867 . . . . 0.0 112.104 -179.246 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 1.083 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 66.3 m-20 -107.55 -15.24 14.65 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.335 -0.546 . . . . 0.0 112.011 -169.434 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -55.17 -31.21 61.18 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.025 0.441 . . . . 0.0 110.556 174.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.483 ' H ' HG12 ' A' ' 63' ' ' ILE . 0.9 OUTLIER -69.35 -15.85 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.561 -179.804 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.426 ' HD2' ' HB3' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -98.96 -2.83 36.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.236 0.541 . . . . 0.0 110.205 177.781 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -109.82 -50.89 2.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.733 178.684 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -129.62 34.21 4.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.292 -178.303 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -130.85 -160.38 9.94 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.342 -0.932 . . . . 0.0 112.576 -178.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -142.84 -177.61 5.4 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 -179.088 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.78 -40.11 14.33 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.667 0.27 . . . . 0.0 110.933 -179.225 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -80.23 58.08 4.63 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.234 -0.508 . . . . 0.0 112.341 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -113.83 120.37 40.51 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.654 0.264 . . . . 0.0 110.379 179.562 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -148.53 161.98 28.76 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 121.004 -0.617 . . . . 0.0 111.697 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -81.85 63.73 4.33 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.06 179.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.62 -29.68 66.13 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 111.992 0.368 . . . . 0.0 111.992 -175.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -107.98 147.92 16.56 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.245 -0.978 . . . . 0.0 112.574 -178.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.75 60.69 4.59 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 121.394 -0.432 . . . . 0.0 112.193 177.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 24.7 p-80 -135.16 30.75 3.27 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.076 0.465 . . . . 0.0 110.289 178.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -79.38 84.27 5.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.877 177.535 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.36 -54.32 6.92 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.106 -176.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.648 ' HB3' ' HG3' ' A' ' 103' ' ' ARG . 0.0 OUTLIER -80.54 117.39 21.21 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.902 0.382 . . . . 0.0 110.721 179.681 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 179.26 171.8 42.78 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.834 -179.081 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -68.66 -65.73 2.54 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.995 -0.622 . . . . 0.0 112.158 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -153.65 158.61 41.35 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 178.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 2.5 t -75.31 -32.4 25.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.915 176.399 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.6 ptp -107.33 59.36 0.62 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.329 176.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -70.59 106.03 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.478 -178.442 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.413 ' HB ' ' H ' ' A' ' 88' ' ' GLY . 2.1 t 54.42 -113.15 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.744 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.413 ' H ' ' HB ' ' A' ' 87' ' ' VAL . . . -144.24 39.55 1.24 Allowed Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.888 -0.673 . . . . 0.0 111.719 178.504 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.617 ' HB3' ' HB2' ' A' ' 92' ' ' LEU . 2.3 mp0 -123.4 101.87 37.04 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 120.789 0.328 . . . . 0.0 110.391 -178.704 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -57.62 114.09 1.79 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 123.341 2.694 . . . . 0.0 113.209 -176.563 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 58.46 25.27 12.78 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.234 177.141 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.617 ' HB2' ' HB3' ' A' ' 89' ' ' GLU . 0.1 OUTLIER -93.59 50.52 1.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.345 0.593 . . . . 0.0 110.301 178.11 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 4.5 ttp -129.73 172.47 11.6 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.26 178.197 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -69.46 102.98 1.02 Allowed Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.089 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -150.81 16.56 0.94 Allowed Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 111.574 -0.61 . . . . 0.0 111.574 -179.53 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.23 -30.18 68.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.956 0.407 . . . . 0.0 110.612 -179.626 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.64 ' HD2' ' HB2' ' A' ' 99' ' ' ASP . 0.2 OUTLIER -120.53 131.23 54.59 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.39 178.005 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -101.45 18.89 52.76 Favored Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 111.449 -0.66 . . . . 0.0 111.449 179.034 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.64 ' HB2' ' HD2' ' A' ' 97' ' ' PHE . 22.0 t0 -67.42 113.59 5.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.458 -0.371 . . . . 0.0 110.371 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -80.5 52.04 1.57 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.4 -175.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.87 11.8 9.69 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.614 176.558 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.486 ' HA ' ' O ' ' A' ' 49' ' ' SER . 1.2 pt-20 -101.1 -157.25 0.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.882 -178.155 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.648 ' HG3' ' HB3' ' A' ' 80' ' ' SER . 0.0 OUTLIER 58.22 25.46 12.63 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.154 175.072 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.623 HD21 ' HG3' ' A' ' 24' ' ' MET . 1.5 tp -88.05 36.41 0.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.831 0.348 . . . . 0.0 111.295 -179.102 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.942 HG23 HD21 ' A' ' 21' ' ' LEU . 43.9 mt -118.03 102.65 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.108 0.48 . . . . 0.0 110.324 175.461 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.515 ' HB ' ' HB2' ' A' ' 22' ' ' TYR . 18.7 m -105.68 109.45 21.42 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 176.136 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.03 99.35 9.23 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.743 -173.574 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.09 101.05 7.73 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-O 121.387 0.613 . . . . 0.0 110.376 176.744 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 112' ' ' GLN . 63.0 mt-10 -106.17 142.56 35.66 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 172.575 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.496 HD21 HG23 ' A' ' 119' ' ' ILE . 3.2 m120 -68.84 5.68 1.06 Allowed 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.389 0.515 . . . . 0.0 112.389 -173.658 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.97 -3.47 54.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.44 172.602 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 1.0 OUTLIER -79.63 -152.81 0.07 Allowed 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.633 178.745 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -78.98 65.3 4.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.233 0.54 . . . . 0.0 110.314 177.598 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -153.71 -172.12 4.12 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 -179.562 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -77.72 121.73 24.41 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 175.438 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.09 -26.48 68.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.672 -176.098 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -68.08 -33.34 74.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.008 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 158.06 166.98 18.32 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.295 178.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.496 HG23 HD21 ' A' ' 110' ' ' ASN . 0.6 OUTLIER -81.98 -22.06 9.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.977 0.418 . . . . 0.0 110.083 178.561 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -78.9 69.43 5.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.198 177.355 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -126.99 109.68 12.17 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.145 -178.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.468 -0.777 . . . . 0.0 110.723 -177.273 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.762 0 N-CA-C 111.744 -0.543 . . . . 0.0 111.744 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.63 94.69 9.95 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 176.287 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.527 ' HA ' HD12 ' A' ' 3' ' ' LEU . 1.7 tp -119.58 78.39 1.31 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.804 -175.435 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.1 9.24 38.54 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.553 0.692 . . . . 0.0 110.135 178.377 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.455 ' HZ3' ' HG3' ' A' ' 14' ' ' LYS . 4.7 p-90 -132.19 -174.89 3.56 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.591 178.396 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.729 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 11.4 mttt -96.42 112.81 24.42 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.325 0.583 . . . . 0.0 110.896 -178.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.587 ' H ' ' HD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -119.09 117.84 29.8 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.81 -178.001 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.549 ' HB2' HG12 ' A' ' 15' ' ' ILE . 50.6 t -79.79 131.34 35.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.197 0.522 . . . . 0.0 111.648 -178.733 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -102.17 1.73 36.42 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.997 174.245 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.401 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -81.24 -54.58 3.5 Favored Glycine 0 N--CA 1.447 -0.609 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.074 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.0 p -103.88 -21.28 13.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.344 0.592 . . . . 0.0 110.249 177.036 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.48 56.38 2.27 Favored Glycine 0 N--CA 1.444 -0.773 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.258 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -147.92 -151.4 5.43 Favored Glycine 0 N--CA 1.434 -1.451 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.641 178.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.455 ' HG3' ' HZ3' ' A' ' 5' ' ' TRP . 14.9 tttp -102.05 135.87 42.87 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 115.248 -0.476 . . . . 0.0 110.334 178.712 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.729 ' HB ' ' HB3' ' A' ' 6' ' ' LYS . 3.4 mt -87.79 89.0 2.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.218 0.532 . . . . 0.0 110.75 177.662 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.529 ' O ' ' HA2' ' A' ' 118' ' ' GLY . . . -100.97 20.35 15.65 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.844 177.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.38 153.86 17.58 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.842 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.549 ' C ' ' HG3' ' A' ' 109' ' ' GLU . 16.7 ttp180 -84.77 11.46 9.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.845 0.355 . . . . 0.0 110.817 179.32 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.879 ' HA ' ' HB3' ' A' ' 109' ' ' GLU . 18.3 m-85 -140.64 110.91 6.65 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 123.054 0.542 . . . . 0.0 109.822 178.325 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.749 HD12 ' HG2' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -135.19 178.85 6.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.666 0.27 . . . . 0.0 111.399 -177.628 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.611 HD21 HG23 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -145.76 153.96 41.52 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.481 -179.362 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.662 ' HD1' ' CD1' ' A' ' 27' ' ' TYR . 1.9 m-85 -122.14 127.24 49.86 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 172.141 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -152.43 124.03 7.82 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.365 0.126 . . . . 0.0 111.117 -178.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.7 mtm 65.74 33.9 7.9 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.766 0.666 . . . . 0.0 110.769 -179.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 73.07 -15.11 0.55 Allowed 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.898 -178.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.66 145.73 26.03 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.427 -0.582 . . . . 0.0 109.427 174.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.662 ' CD1' ' HD1' ' A' ' 22' ' ' TYR . 5.4 m-85 -99.59 157.7 16.27 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 52.1 m95 -137.83 165.2 27.05 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.852 -172.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.584 ' HB2' ' HB2' ' A' ' 32' ' ' CYS . 0.9 OUTLIER -81.37 -143.33 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.496 0.665 . . . . 0.0 111.208 178.368 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.514 ' H ' ' HB3' ' A' ' 29' ' ' HIS . 0.9 OUTLIER -90.05 -59.17 2.26 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.26 177.468 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -101.92 9.84 40.24 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.458 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.584 ' HB2' ' HB2' ' A' ' 29' ' ' HIS . 8.3 m -79.75 -21.24 44.7 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.997 -0.281 . . . . 0.0 111.143 -177.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -93.24 79.76 4.47 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 170.54 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.61 168.01 18.44 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.92 -1.037 . . . . 0.0 110.435 -173.683 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.489 ' HB3' ' H ' ' A' ' 39' ' ' GLN . 44.7 t -59.73 160.78 6.98 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.769 179.152 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 54.3 m -84.48 -20.71 31.24 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.536 177.127 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.48 -47.08 3.02 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.629 -178.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 59.1 m -73.89 -37.71 64.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.875 0.369 . . . . 0.0 110.57 178.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.489 ' H ' ' HB3' ' A' ' 35' ' ' CYS . 1.1 mt-30 62.5 28.72 16.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.642 -176.793 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.59 146.93 26.53 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-N 115.221 -0.899 . . . . 0.0 108.708 172.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -59.89 127.54 32.41 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.195 -176.07 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.874 HD11 ' HA ' ' A' ' 58' ' ' CYS . 0.0 OUTLIER -74.33 -0.14 16.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.346 -178.406 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -106.18 3.67 37.99 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 121.204 -0.522 . . . . 0.0 112.356 179.264 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -98.1 -47.01 5.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.03 0.443 . . . . 0.0 110.504 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.1 pt -85.36 57.63 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.438 0.637 . . . . 0.0 110.061 176.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 89.19 -159.82 29.03 Favored Glycine 0 N--CA 1.447 -0.603 0 N-CA-C 110.145 -1.182 . . . . 0.0 110.145 -171.159 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.615 HG22 HG21 ' A' ' 105' ' ' ILE . 0.1 OUTLIER -142.52 102.41 4.06 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 117.884 0.842 . . . . 0.0 111.437 175.759 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.463 ' HB3' ' O ' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -162.78 117.32 1.75 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.835 176.158 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.488 ' O ' ' HG3' ' A' ' 102' ' ' GLU . 0.1 OUTLIER -100.99 112.38 24.81 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 175.384 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.719 ' CD1' ' HB2' ' A' ' 102' ' ' GLU . 15.1 m-85 -80.7 161.61 24.53 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.003 -176.142 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.2 108.82 9.98 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.661 178.12 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.585 ' HG2' ' HE1' ' A' ' 62' ' ' TYR . 0.9 OUTLIER -152.69 123.37 7.33 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.9 m 66.24 17.05 10.64 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.211 0.319 . . . . 0.0 110.953 -177.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.85 13.55 82.32 Favored Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -173.476 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.16 158.04 17.78 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.178 -0.511 . . . . 0.0 110.369 -177.62 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.1 mt -115.8 125.25 72.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.037 176.424 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.442 ' HB3' ' HB3' ' A' ' 61' ' ' ASP . 1.0 OUTLIER -131.97 168.49 17.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.807 -175.467 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.874 ' HA ' HD11 ' A' ' 42' ' ' LEU . 30.7 p -79.91 -174.65 4.52 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 174.739 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.716 ' HA ' ' HE2' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -69.67 -51.16 37.11 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.616 -0.434 . . . . 0.0 109.945 176.656 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -55.36 -49.96 70.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.034 178.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.618 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 0.4 OUTLIER -62.56 -40.64 97.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.572 179.718 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.585 ' HE1' ' HG2' ' A' ' 52' ' ' LYS . 58.0 t80 -56.61 -49.53 74.69 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.764 0.316 . . . . 0.0 111.281 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.689 HG12 ' O ' ' A' ' 59' ' ' ARG . 1.9 mm -71.45 -36.95 62.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.012 -178.215 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.4 mtp85 -72.06 -45.37 61.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.39 -178.098 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.492 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 0.2 OUTLIER -69.3 -57.42 5.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.657 -175.929 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -117.37 -41.46 2.97 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.581 -0.447 . . . . 0.0 111.671 -173.586 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 81.07 -48.72 3.83 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.449 -177.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -50.77 106.22 0.12 Allowed 'General case' 0 C--N 1.333 -0.111 0 C-N-CA 122.727 0.411 . . . . 0.0 111.3 -179.01 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.455 ' HB3' ' HE2' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -111.24 179.88 3.91 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.286 -179.158 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -87.02 -15.74 62.28 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.806 -0.711 . . . . 0.0 111.423 177.046 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.831 ' HA ' ' HB3' ' A' ' 97' ' ' PHE . . . 59.66 45.69 12.72 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.05 0.452 . . . . 0.0 110.704 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.66 ' HA2' ' HG3' ' A' ' 93' ' ' MET . . . -126.39 -49.78 0.18 Allowed Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 120.537 -0.839 . . . . 0.0 112.736 -178.579 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.558 ' HA2' ' HA ' ' A' ' 101' ' ' ASP . . . 64.77 -138.64 40.12 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.577 -0.821 . . . . 0.0 111.105 -175.615 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.536 ' HB2' ' NH1' ' A' ' 103' ' ' ARG . 61.3 m -155.82 -24.56 0.11 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.86 0.362 . . . . 0.0 110.935 175.423 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.447 ' HA2' ' HG ' ' A' ' 92' ' ' LEU . . . 118.92 31.22 1.47 Allowed Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.92 -0.657 . . . . 0.0 111.706 -178.326 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -73.45 141.94 30.57 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 121.17 -0.538 . . . . 0.0 112.291 -179.242 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -103.97 1.08 30.75 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.818 0.342 . . . . 0.0 110.423 -179.297 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.26 53.6 0.49 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.855 178.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -79.15 -102.53 0.23 Allowed Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.658 -176.514 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.53 -43.64 38.39 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.891 0.377 . . . . 0.0 110.999 -179.08 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 173.34 83.59 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.091 179.31 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 132.15 -171.17 21.53 Favored Glycine 0 N--CA 1.447 -0.585 0 N-CA-C 111.486 -0.646 . . . . 0.0 111.486 -177.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.12 173.01 7.95 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.995 0.398 . . . . 0.0 110.948 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.807 HG23 ' HA3' ' A' ' 98' ' ' GLY . 1.5 p -71.61 113.17 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.779 -178.16 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 55.76 54.19 8.52 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.584 -177.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.433 HG12 ' H ' ' A' ' 86' ' ' VAL . 1.6 p -68.39 -31.92 53.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.916 -178.458 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 39.6 t -93.07 83.2 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.191 176.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 141.94 -163.67 26.94 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.034 -177.234 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -78.54 139.28 58.95 Favored Pre-proline 0 C--N 1.323 -0.578 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 178.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -60.9 89.28 0.09 OUTLIER 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 123.168 2.578 . . . . 0.0 112.773 -177.3 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -139.69 132.67 29.42 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.718 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.447 ' HG ' ' HA2' ' A' ' 75' ' ' GLY . 3.8 mp -65.11 -51.07 63.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.008 0.433 . . . . 0.0 110.283 -177.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.66 ' HG3' ' HA2' ' A' ' 72' ' ' GLY . 0.7 OUTLIER -126.29 91.27 3.33 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.657 -0.702 . . . . 0.0 109.415 175.185 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -140.63 58.09 0.58 Allowed Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.838 -174.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 98.25 -53.97 1.16 Allowed Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.07 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -100.52 149.71 23.42 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 177.334 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.831 ' HB3' ' HA ' ' A' ' 71' ' ' ALA . 0.0 OUTLIER -71.17 116.93 12.05 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 176.064 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.807 ' HA3' HG23 ' A' ' 84' ' ' VAL . . . -52.75 -70.41 0.92 Allowed Glycine 0 N--CA 1.452 -0.236 0 CA-C-N 115.337 -0.847 . . . . 0.0 113.547 -170.747 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.65 -97.25 0.24 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 -179.628 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.519 ' HB3' ' OH ' ' A' ' 50' ' ' TYR . 3.0 mt-10 -100.29 -102.39 0.24 Allowed 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 173.236 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.558 ' HA ' ' HA2' ' A' ' 73' ' ' GLY . 0.5 OUTLIER -174.56 -51.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.042 0.448 . . . . 0.0 110.829 173.918 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.719 ' HB2' ' CD1' ' A' ' 50' ' ' TYR . 2.1 mm-40 -89.9 165.93 13.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.773 -176.361 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.536 ' NH1' ' HB2' ' A' ' 74' ' ' SER . 0.0 OUTLIER -163.04 23.42 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.346 178.275 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 8.4 mt -79.71 41.69 0.5 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.716 -176.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.615 HG21 HG22 ' A' ' 47' ' ' THR . 1.8 mt -106.78 107.45 22.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.225 0.536 . . . . 0.0 110.707 177.304 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.548 ' HB ' ' HD2' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -100.65 100.38 11.08 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.493 -0.776 . . . . 0.0 108.971 174.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.489 ' NH2' ' HB3' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -125.29 107.15 10.42 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -172.51 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.87 98.25 3.09 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.221 168.239 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.879 ' HB3' ' HA ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -144.28 120.9 11.12 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.921 0.391 . . . . 0.0 110.508 176.082 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 2.1 t30 175.63 -59.31 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 107.173 -1.418 . . . . 0.0 107.173 175.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -146.68 38.95 1.03 Allowed 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 113.932 -1.485 . . . . 0.0 109.563 177.08 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.416 ' HG3' ' HA ' ' A' ' 115' ' ' ALA . 0.0 OUTLIER -68.17 169.62 10.0 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.221 -179.442 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -65.78 114.69 5.22 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 178.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.9 t0 62.29 54.69 2.53 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.884 -171.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.416 ' HA ' ' HG3' ' A' ' 112' ' ' GLN . . . -67.63 157.06 35.38 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.41 -0.813 . . . . 0.0 111.285 -177.113 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -86.35 139.35 31.05 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.573 174.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -121.56 134.85 55.03 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.198 -178.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.529 ' HA2' ' O ' ' A' ' 16' ' ' ALA . . . -65.62 -50.24 55.48 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 121.006 -0.616 . . . . 0.0 111.847 179.654 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -149.03 129.29 4.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.173 0.511 . . . . 0.0 110.996 177.732 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -90.33 77.15 6.66 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 174.264 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -78.06 74.36 4.61 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.555 -171.134 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 . . . . . 0 C--O 1.245 0.856 0 CA-C-O 118.809 -0.615 . . . . 0.0 109.684 176.164 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.703 0 N-CA-C 111.911 -0.476 . . . . 0.0 111.911 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -92.65 110.75 22.18 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.804 0.335 . . . . 0.0 110.724 -179.501 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 23.8 mt -77.34 -36.58 53.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.345 0.593 . . . . 0.0 109.721 178.458 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.99 -171.11 2.25 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.366 -0.834 . . . . 0.0 108.875 172.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -76.72 138.38 39.93 Favored 'General case' 0 N--CA 1.439 -0.983 0 C-N-CA 119.403 -0.919 . . . . 0.0 110.907 -179.396 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.471 ' HG3' ' HD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -80.29 170.33 16.54 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.653 -1.158 . . . . 0.0 110.037 -178.857 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.462 ' HE ' ' HB2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -152.92 162.14 41.68 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.315 178.743 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.535 ' HB2' HG12 ' A' ' 15' ' ' ILE . 54.1 t -82.36 128.6 34.39 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.365 177.486 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -92.78 0.09 57.35 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.242 177.191 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.761 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -81.44 -61.25 2.11 Favored Glycine 0 N--CA 1.446 -0.633 0 CA-C-N 115.802 -0.635 . . . . 0.0 112.832 -177.719 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.0 p -84.91 -81.93 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.925 0.393 . . . . 0.0 110.053 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.2 48.81 0.01 OUTLIER Glycine 0 N--CA 1.443 -0.89 0 C-N-CA 120.583 -0.818 . . . . 0.0 113.034 176.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -158.7 -147.16 4.76 Favored Glycine 0 N--CA 1.434 -1.46 0 C-N-CA 120.565 -0.826 . . . . 0.0 111.488 176.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.53 150.67 22.43 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 115.41 -0.395 . . . . 0.0 110.217 178.072 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.535 HG12 ' HB2' ' A' ' 8' ' ' CYS . 1.4 mt -85.85 89.69 2.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.451 0.643 . . . . 0.0 110.22 179.464 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -100.28 12.42 37.13 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.535 -177.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.26 159.48 15.09 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.37 -179.447 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.4 -8.36 55.13 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.753 -179.253 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.452 ' HE1' ' HB2' ' A' ' 110' ' ' ASN . 3.0 m-85 -115.7 115.8 26.98 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 176.785 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.403 ' HG ' ' N ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -145.99 173.37 12.22 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.732 -176.317 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.498 HD22 ' HG ' ' A' ' 33' ' ' LEU . 0.3 OUTLIER -135.46 144.72 46.57 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.445 179.132 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.511 ' HD2' ' CE1' ' A' ' 27' ' ' TYR . 9.8 m-85 -114.73 121.05 42.15 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 175.524 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -152.28 133.1 14.08 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.726 -176.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.2 mtm 61.31 36.49 17.63 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.016 178.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 65.84 4.9 3.14 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.226 -178.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.73 152.33 26.7 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 176.402 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.517 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 6.7 m-30 -105.48 147.01 28.77 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -177.816 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.493 ' HA ' ' SG ' ' A' ' 8' ' ' CYS . 16.9 m95 -143.54 175.45 9.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.932 -171.103 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.726 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 29.9 m80 -97.8 171.22 8.44 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 168.266 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.15 -44.1 97.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.892 0.377 . . . . 0.0 110.678 177.482 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -90.71 10.4 26.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.277 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.761 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 94.9 m -108.16 -32.89 7.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.708 -0.224 . . . . 0.0 111.234 178.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.498 ' HG ' HD22 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -79.98 83.54 5.87 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 174.408 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.504 ' HB3' ' HA ' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -148.85 178.66 8.48 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.98 -173.466 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 7.8 t -59.64 131.0 49.59 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.346 175.264 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.13 7.67 18.08 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.153 0.502 . . . . 0.0 110.172 176.047 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.83 -61.62 1.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.478 -176.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.422 ' SG ' ' HB2' ' A' ' 40' ' ' ALA . 14.5 p -106.76 -1.63 22.4 Favored 'General case' 0 C--O 1.231 0.129 0 C-N-CA 120.944 -0.303 . . . . 0.0 111.412 -177.674 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 69.72 21.23 6.6 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.131 178.745 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.422 ' HB2' ' SG ' ' A' ' 38' ' ' CYS . . . -61.19 117.9 6.16 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.138 0.494 . . . . 0.0 110.19 174.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.504 ' HA ' ' HB3' ' A' ' 34' ' ' LYS . 0.7 OUTLIER -64.46 102.46 0.55 Allowed 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 114.592 -1.186 . . . . 0.0 110.241 -176.716 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.483 HD11 ' O ' ' A' ' 57' ' ' LEU . 8.0 mt -74.66 -2.36 25.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.368 -172.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -112.75 6.67 25.95 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.814 -0.708 . . . . 0.0 111.633 177.256 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -109.32 -54.97 2.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.763 0.316 . . . . 0.0 111.078 -178.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -85.72 53.69 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.135 0.493 . . . . 0.0 110.481 179.137 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.86 113.99 2.43 Favored Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -175.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.21 105.06 8.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.21 0.529 . . . . 0.0 110.835 -173.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.572 ' N ' HD12 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -159.76 129.94 5.56 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.25 -0.887 . . . . 0.0 109.89 179.815 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.442 ' N ' HG13 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -94.04 127.08 39.64 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 -179.436 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.461 ' HE2' ' HA ' ' A' ' 59' ' ' ARG . 4.6 m-30 -95.48 138.44 33.16 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 179.448 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.837 ' HB ' ' HD3' ' A' ' 103' ' ' ARG . 28.2 m -136.18 105.25 5.94 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.449 -0.796 . . . . 0.0 112.46 -167.013 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.406 ' HD3' ' CG ' ' A' ' 66' ' ' PHE . 0.6 OUTLIER -155.34 126.96 7.39 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 172.235 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 34.0 m 67.1 20.38 10.33 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.259 -170.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 14.68 61.3 Favored Glycine 0 C--N 1.333 0.408 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 -173.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 13.3 ttm -101.92 149.18 24.48 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.526 -0.337 . . . . 0.0 110.433 -176.107 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.459 HD13 HD22 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -107.83 126.91 64.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.656 179.667 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.545 HD11 ' HE2' ' A' ' 66' ' ' PHE . 0.3 OUTLIER -140.22 172.56 12.57 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.789 -179.324 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.657 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 26.5 p -84.48 175.7 9.13 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 172.327 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.463 ' HA ' ' HD2' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -66.91 -30.23 70.33 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.665 0.269 . . . . 0.0 110.814 179.509 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -76.59 -46.9 24.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.757 179.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.657 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 0.8 OUTLIER -68.84 -27.4 65.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.758 179.826 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.476 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 8.3 t80 -55.3 -52.32 63.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.648 176.786 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.498 ' O ' ' HA3' ' A' ' 67' ' ' GLY . 0.4 OUTLIER -79.24 -11.05 12.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.181 -178.696 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.57 -39.81 19.9 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.046 0.45 . . . . 0.0 110.167 177.104 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' A' ' 65' ' ' LEU . 0.1 OUTLIER -84.64 -41.4 16.38 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.654 -177.375 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.545 ' HE2' HD11 ' A' ' 57' ' ' LEU . 82.3 m-85 -119.31 7.51 11.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.806 -173.346 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.498 ' HA3' ' O ' ' A' ' 63' ' ' ILE . . . -70.9 93.04 0.48 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.388 -179.467 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -93.12 118.68 31.5 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 -178.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.482 ' HA ' ' HB2' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -80.84 22.81 0.58 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.787 -177.555 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.81 84.59 0.78 Allowed Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.913 177.487 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -148.27 149.9 32.71 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.84 0.352 . . . . 0.0 110.746 -177.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -119.21 5.66 13.32 Favored Glycine 0 N--CA 1.444 -0.787 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.667 178.162 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.52 30.52 48.86 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 121.106 -0.569 . . . . 0.0 112.219 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.38 27.4 5.59 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.856 0.36 . . . . 0.0 111.275 -177.411 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 152.39 -124.87 1.71 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.455 -0.879 . . . . 0.0 112.566 178.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 82.47 -80.92 1.75 Allowed Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 121.114 -0.565 . . . . 0.0 112.112 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.434 ' HB2' ' CA ' ' A' ' 98' ' ' GLY . 0.1 OUTLIER -174.12 153.31 2.03 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.469 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.524 ' HB3' ' HA2' ' A' ' 88' ' ' GLY . 0.0 OUTLIER -86.08 55.76 3.68 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 172.895 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.846 ' HA3' HG11 ' A' ' 86' ' ' VAL . . . 95.9 126.15 4.95 Favored Glycine 0 N--CA 1.444 -0.782 0 CA-C-N 114.968 -1.014 . . . . 0.0 111.471 -173.361 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.2 m -62.63 129.88 42.55 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 178.317 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 111.58 -30.61 7.72 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -172.294 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.33 -110.47 3.14 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.624 178.072 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.606 ' HA ' ' HA ' ' A' ' 87' ' ' VAL . 0.1 OUTLIER -78.98 -23.57 44.38 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.981 0.419 . . . . 0.0 110.054 179.107 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 16.4 t -67.51 107.38 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.444 178.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.1 tmt? 70.54 -51.39 0.66 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.787 0.835 . . . . 0.0 112.393 178.036 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.846 HG11 ' HA3' ' A' ' 79' ' ' GLY . 3.0 t -68.89 -45.65 80.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.981 -178.19 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.606 ' HA ' ' HA ' ' A' ' 83' ' ' ASP . 2.3 t 59.75 31.81 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.521 -178.291 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.524 ' HA2' ' HB3' ' A' ' 78' ' ' MET . . . 77.49 74.45 0.99 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.963 -0.637 . . . . 0.0 112.33 179.395 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.428 ' HB2' HG12 ' A' ' 86' ' ' VAL . 2.2 mm-40 -131.84 125.54 20.36 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 120.724 0.297 . . . . 0.0 110.984 -178.278 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -75.31 -20.85 15.88 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 122.823 2.349 . . . . 0.0 112.734 -177.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.62 -19.97 61.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.124 0.488 . . . . 0.0 110.669 179.588 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.533 HD13 HG13 ' A' ' 86' ' ' VAL . 0.1 OUTLIER -88.19 148.61 24.3 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.828 174.749 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 4.4 ttm -64.32 131.41 47.21 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 177.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -169.35 -33.51 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.237 -176.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.41 -38.96 97.19 Favored Glycine 0 N--CA 1.451 -0.359 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 176.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.482 ' HB2' ' HA ' ' A' ' 69' ' ' SER . 1.1 pm0 -95.36 108.68 20.87 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 172.145 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 10.9 t80 75.61 78.23 0.1 Allowed 'General case' 0 C--O 1.235 0.34 0 O-C-N 123.909 0.756 . . . . 0.0 110.333 -174.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.434 ' CA ' ' HB2' ' A' ' 77' ' ' HIS . . . -89.12 57.52 3.97 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.505 -0.77 . . . . 0.0 113.067 -177.591 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -95.4 -175.07 3.37 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 176.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -100.23 -119.55 0.16 Allowed 'General case' 0 N--CA 1.443 -0.783 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 171.167 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.418 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 0.7 OUTLIER -177.59 -68.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.734 171.681 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -76.28 138.62 40.66 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.347 -176.528 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.837 ' HD3' ' HB ' ' A' ' 51' ' ' THR . 0.2 OUTLIER -118.66 -112.07 0.34 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.685 -179.477 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.665 ' H ' HD23 ' A' ' 104' ' ' LEU . 2.6 pt? -116.91 106.47 13.47 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -173.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.572 HD12 ' N ' ' A' ' 48' ' ' SER . 0.3 OUTLIER -110.42 131.05 62.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 O-C-N 121.921 -0.487 . . . . 0.0 109.83 171.717 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.412 ' HB ' ' HB2' ' A' ' 22' ' ' TYR . 8.7 m -125.45 111.23 14.86 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.671 -0.862 . . . . 0.0 108.671 176.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 107' ' ' ARG . 0.0 OUTLIER -120.09 138.15 53.72 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 121.912 -0.493 . . . . 0.0 111.06 -172.196 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -142.61 133.17 25.14 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 175.212 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.739 ' HG3' ' HG3' ' A' ' 112' ' ' GLN . 0.1 OUTLIER -116.19 162.71 17.06 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.846 -174.819 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.452 ' HB2' ' HE1' ' A' ' 19' ' ' PHE . 50.1 t30 0.21 76.22 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.186 0 O-C-N 125.398 1.686 . . . . 0.0 114.637 -179.661 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 41.7 49.81 3.84 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.59 176.356 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.739 ' HG3' ' HG3' ' A' ' 109' ' ' GLU . 6.6 mm-40 -67.28 -15.11 63.5 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -174.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -100.27 7.95 44.07 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.909 0.385 . . . . 0.0 111.015 -179.167 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -156.09 -145.89 0.16 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.763 -178.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -80.85 113.33 18.98 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 175.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.15 103.71 0.41 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.207 -178.047 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -128.68 -63.1 0.99 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.216 -179.447 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 159.61 -110.12 0.43 Allowed Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.562 179.005 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.474 HG13 ' H ' ' A' ' 120' ' ' ASP . 3.0 tp -171.65 163.09 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 -179.092 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.474 ' H ' HG13 ' A' ' 119' ' ' ILE . 8.3 t0 64.39 35.94 9.32 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.276 0.56 . . . . 0.0 110.644 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -104.45 178.17 4.64 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.058 -177.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 16.9 mp0 . . . . . 0 C--O 1.252 1.191 0 CA-C-O 118.511 -0.757 . . . . 0.0 110.624 179.432 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.625 0 N-CA-C 111.718 -0.553 . . . . 0.0 111.718 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -58.1 5.93 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.625 0.212 . . . . 0.0 110.705 -178.686 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 64.57 -77.75 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.16 0.584 . . . . 0.0 110.98 179.577 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.33 113.18 12.42 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 173.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.455 ' HZ3' ' H ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -104.3 3.9 33.06 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.254 -170.395 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.497 ' HE2' ' CE1' ' A' ' 27' ' ' TYR . 2.8 mttm 59.3 -154.06 0.37 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.302 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.455 ' NH2' ' HA2' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -159.24 145.6 16.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.919 -0.128 . . . . 0.0 110.787 -178.649 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.431 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 53.3 t -75.17 121.63 22.4 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 175.391 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.64 -4.22 58.89 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.364 178.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.997 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -78.64 -47.22 8.08 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.261 178.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.1 p -107.35 -101.19 0.36 Allowed 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.239 176.523 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.455 ' HA2' ' NH2' ' A' ' 7' ' ' ARG . . . -174.87 29.53 0.08 OUTLIER Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.784 178.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -143.47 -148.87 4.99 Favored Glycine 0 N--CA 1.436 -1.365 0 C-N-CA 120.304 -0.95 . . . . 0.0 111.808 178.149 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.43 ' HE3' ' HB3' ' A' ' 5' ' ' TRP . 6.2 mtpp -100.8 163.24 12.41 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 175.672 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.574 HG23 ' CD2' ' A' ' 29' ' ' HIS . 3.4 mt -96.63 111.98 27.8 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-O 121.041 0.448 . . . . 0.0 111.668 -174.752 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.39 -16.75 47.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.439 178.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.77 142.64 57.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.171 177.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.453 ' HD3' ' OD1' ' A' ' 117' ' ' ASN . 8.5 ttm180 -74.76 -38.24 62.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.967 177.502 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -97.55 92.04 5.73 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.499 178.022 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.59 -173.2 2.34 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.482 -176.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.518 HD21 ' HA ' ' A' ' 105' ' ' ILE . 0.2 OUTLIER -146.58 144.56 29.65 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.012 -178.297 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.647 ' O ' ' HB ' ' A' ' 106' ' ' THR . 2.3 m-85 -107.64 118.29 36.33 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 175.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.683 ' HB3' ' CD1' ' A' ' 28' ' ' TRP . . . -152.08 134.22 15.07 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.277 -0.569 . . . . 0.0 111.19 176.552 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.7 mtm 63.8 32.31 13.58 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.035 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 65.72 16.57 10.55 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.869 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.37 -177.86 4.59 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.473 -0.785 . . . . 0.0 108.934 176.044 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.554 ' HB3' ' CD1' ' A' ' 15' ' ' ILE . 13.4 m-30 -107.98 161.31 15.06 Favored 'General case' 0 C--N 1.311 -1.071 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.665 -177.772 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.683 ' CD1' ' HB3' ' A' ' 23' ' ' ALA . 81.0 m95 -142.71 132.36 23.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.442 -179.713 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.651 ' HB2' ' HB2' ' A' ' 32' ' ' CYS . 2.6 m80 -74.32 177.47 5.85 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.22 178.623 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.0 m -66.69 -40.63 88.62 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.555 175.28 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.536 ' HA ' ' OE1' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -96.86 -14.24 21.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.398 179.876 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.997 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 58.3 m -79.34 -36.89 38.72 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 121.177 -0.209 . . . . 0.0 110.643 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.651 ' HB2' ' HB3' ' A' ' 28' ' ' TRP . 8.1 tp -81.59 83.66 6.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.558 0.694 . . . . 0.0 109.587 172.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.14 156.26 48.61 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.382 -179.406 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 15.9 t -60.09 136.42 58.01 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.942 177.27 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 m -83.27 -0.77 51.07 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 175.438 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.56 -54.76 2.51 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.733 -177.34 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.417 ' SG ' ' HB2' ' A' ' 40' ' ' ALA . 17.3 p -113.74 -1.2 14.02 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.418 -0.513 . . . . 0.0 111.776 -177.11 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 73.9 mm-40 67.06 21.04 10.29 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.369 0.667 . . . . 0.0 112.035 178.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.417 ' HB2' ' SG ' ' A' ' 38' ' ' CYS . . . -58.17 126.46 27.61 Favored 'General case' 0 N--CA 1.446 -0.675 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 175.59 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.536 ' OE1' ' HA ' ' A' ' 31' ' ' ARG . 1.5 tp-100 -72.07 74.73 0.93 Allowed 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 114.909 -1.042 . . . . 0.0 110.863 -175.467 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.531 HD21 ' HA ' ' A' ' 58' ' ' CYS . 96.3 mt -51.83 -43.34 63.13 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.535 -1.211 . . . . 0.0 112.309 -176.209 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -94.15 44.18 2.34 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.987 -179.247 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -156.29 -52.31 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.798 0.299 . . . . 0.0 111.703 178.63 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 pt -90.05 50.72 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-O 121.364 0.602 . . . . 0.0 111.199 -178.167 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 115.82 -158.13 14.6 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 -177.038 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.72 HG22 HG21 ' A' ' 105' ' ' ILE . 0.7 OUTLIER -136.32 103.92 5.45 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 117.339 0.57 . . . . 0.0 111.196 177.336 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.602 ' HB3' ' HG2' ' A' ' 102' ' ' GLU . 0.8 OUTLIER -160.27 150.78 18.52 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.6 177.816 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.594 ' OG ' HG13 ' A' ' 105' ' ' ILE . 17.1 p -174.99 151.7 1.38 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.86 0.362 . . . . 0.0 110.424 176.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.595 ' HE2' ' HB3' ' A' ' 101' ' ' ASP . 2.1 m-85 -141.93 148.39 38.59 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.276 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.4 m -137.86 111.01 7.83 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.079 0.466 . . . . 0.0 111.019 -179.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.491 ' O ' ' HG2' ' A' ' 55' ' ' MET . 5.2 mttt -155.11 151.56 28.45 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 177.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.422 ' HB2' ' O ' ' A' ' 52' ' ' LYS . 10.0 m 67.15 12.44 8.95 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.356 0.41 . . . . 0.0 111.534 -177.435 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 81.83 3.1 90.69 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.095 -177.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.491 ' HG2' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -114.94 165.36 12.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.395 0.617 . . . . 0.0 110.425 177.573 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.1 mp -112.12 135.91 49.96 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.624 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.598 HD11 ' HE2' ' A' ' 66' ' ' PHE . 0.7 OUTLIER -128.65 168.98 15.0 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.249 -175.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.811 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 7.6 p -87.55 -174.22 4.7 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.141 172.384 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.695 ' HD2' ' HB2' ' A' ' 101' ' ' ASP . 0.1 OUTLIER -68.09 -43.57 78.2 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 173.858 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -66.83 -47.91 70.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.578 -179.404 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.811 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 1.4 m-20 -69.07 -28.89 66.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.405 -175.176 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.589 ' HD2' HD13 ' A' ' 63' ' ' ILE . 77.3 t80 -62.48 -53.2 58.39 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.939 178.544 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.589 HD13 ' HD2' ' A' ' 62' ' ' TYR . 0.2 OUTLIER -67.28 -29.07 44.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.96 0.41 . . . . 0.0 110.444 -177.577 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -70.81 -45.46 64.58 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.745 177.266 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.14 -60.96 1.99 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.736 -177.061 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.598 ' HE2' HD11 ' A' ' 57' ' ' LEU . 22.6 m-85 -108.84 -41.04 4.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.613 -173.691 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 97.78 155.91 29.96 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.264 -0.969 . . . . 0.0 112.521 179.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -75.84 109.13 9.2 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 176.434 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.78 -12.46 61.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.864 -173.213 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.45 16.57 36.74 Favored Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 120.431 -0.89 . . . . 0.0 113.531 173.212 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.589 ' H ' ' HE1' ' A' ' 97' ' ' PHE . . . -81.15 71.45 8.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.065 0.46 . . . . 0.0 111.116 178.768 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 138.08 172.76 12.67 Favored Glycine 0 N--CA 1.445 -0.748 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.102 -179.195 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -109.48 9.75 32.91 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.99 -0.624 . . . . 0.0 111.619 178.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.06 128.36 36.03 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 122.377 0.271 . . . . 0.0 110.917 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.9 75.09 0.93 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.043 -178.149 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.435 ' HA2' ' HA2' ' A' ' 82' ' ' GLY . . . -74.69 61.86 2.42 Favored Glycine 0 CA--C 1.52 0.346 0 C-N-CA 121.371 -0.442 . . . . 0.0 113.422 -176.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -169.46 162.58 10.22 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 176.426 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.31 110.14 0.58 Allowed 'General case' 0 C--N 1.332 -0.172 0 O-C-N 123.355 0.409 . . . . 0.0 110.812 -178.451 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 144.97 -30.99 1.77 Allowed Glycine 0 N--CA 1.445 -0.746 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.564 -176.476 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 28.3 m -133.66 -145.18 0.24 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 110.45 -0.204 . . . . 0.0 110.45 178.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -85.33 53.7 4.79 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.909 -178.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.435 ' HA2' ' HA2' ' A' ' 76' ' ' GLY . . . -85.1 62.92 4.46 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.955 -0.64 . . . . 0.0 112.271 178.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -114.27 145.2 42.05 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.586 0.231 . . . . 0.0 110.484 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 55.3 t -73.16 -67.19 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.256 178.301 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.4 tpp -92.38 81.72 4.91 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.081 177.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -69.08 117.37 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.08 -177.542 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.7 t -90.48 -38.54 10.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.043 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -77.53 99.39 1.47 Allowed Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 111.319 -0.712 . . . . 0.0 111.319 175.028 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 60.81 79.06 0.29 Allowed Pre-proline 0 C--N 1.331 -0.221 0 CA-C-O 121.148 0.499 . . . . 0.0 111.078 -175.274 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_exo -66.32 -15.12 47.04 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.908 2.405 . . . . 0.0 111.741 178.53 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.0 100.07 0.71 Allowed 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.323 176.64 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.2 mp -61.1 -32.09 71.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.012 -175.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.03 63.62 8.13 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.193 0.52 . . . . 0.0 109.929 174.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 172.14 -152.91 18.21 Favored Glycine 0 N--CA 1.446 -0.637 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.022 -177.425 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 104.04 158.21 24.26 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 121.02 -0.61 . . . . 0.0 111.871 -179.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.68 -38.3 33.89 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.886 0.374 . . . . 0.0 110.756 -177.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.589 ' HE1' ' H ' ' A' ' 71' ' ' ALA . 41.1 m-85 -72.11 131.11 42.39 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 176.27 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -80.53 -100.68 0.31 Allowed Glycine 0 CA--C 1.512 -0.12 0 C-N-CA 120.853 -0.689 . . . . 0.0 113.858 -170.507 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -67.93 -78.87 0.06 Allowed 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -177.376 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -100.95 -40.71 7.13 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 168.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.695 ' HB2' ' HD2' ' A' ' 59' ' ' ARG . 1.5 m-20 -149.02 -52.84 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.195 -1.366 . . . . 0.0 108.778 174.744 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.602 ' HG2' ' HB3' ' A' ' 48' ' ' SER . 0.1 OUTLIER -44.11 128.77 6.01 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 113.901 -1.499 . . . . 0.0 112.779 -179.514 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.38 23.73 0.16 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.141 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.481 ' HB3' ' OG ' ' A' ' 49' ' ' SER . 0.4 OUTLIER -112.48 -36.6 5.2 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 -177.342 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.72 HG21 HG22 ' A' ' 47' ' ' THR . 2.0 mt -70.52 119.61 16.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.353 0.597 . . . . 0.0 111.17 -178.408 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.647 ' HB ' ' O ' ' A' ' 22' ' ' TYR . 47.6 m -111.14 90.06 3.23 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 173.373 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.46 118.84 17.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.145 -172.439 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.678 HD23 ' HB3' ' A' ' 112' ' ' GLN . 0.1 OUTLIER -144.88 124.92 13.56 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.946 -179.82 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.86 163.1 16.58 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 177.21 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -52.57 -36.84 56.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.925 -174.381 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.45 29.92 7.26 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.584 -178.311 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.678 ' HB3' HD23 ' A' ' 108' ' ' LEU . 11.1 tt0 -80.13 62.95 4.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.338 0.589 . . . . 0.0 110.775 179.709 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -96.24 -59.65 1.79 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.601 177.247 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -137.95 -47.92 0.55 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.481 175.199 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -100.23 160.49 14.29 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.342 177.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -94.1 145.15 24.89 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 179.512 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.453 ' OD1' ' HD3' ' A' ' 18' ' ' ARG . 25.9 t-20 -97.44 -62.25 1.28 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.042 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 92.2 -70.41 1.74 Allowed Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 176.492 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -175.86 -37.1 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 CA-C-N 116.633 0.216 . . . . 0.0 111.53 179.541 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 27.21 -88.52 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 125.157 1.383 . . . . 0.0 114.309 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 72.56 44.34 0.41 Allowed 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 121.689 0.757 . . . . 0.0 109.798 -174.587 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 . . . . . 0 C--O 1.25 1.111 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.77 179.349 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.661 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 37.1 t -78.99 117.55 20.16 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.865 173.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.32 0.17 42.88 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.155 176.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.768 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -85.53 -47.68 5.04 Favored Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.566 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.9 p -116.61 -121.39 0.3 Allowed 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.84 -178.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -75.3 -63.54 2.48 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 121.308 -0.472 . . . . 0.0 113.371 -174.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 171.62 -76.43 0.1 OUTLIER Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.812 -178.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.86 127.17 31.49 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.89 0.376 . . . . 0.0 110.82 -178.105 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.493 HD11 ' HB2' ' A' ' 8' ' ' CYS . 4.3 mt -100.41 94.05 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.519 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.97 25.45 4.75 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.339 0.59 . . . . 0.0 109.971 177.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.19 169.19 9.08 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.833 -178.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -87.2 -29.58 21.64 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.895 176.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.549 ' CD1' ' HB3' ' A' ' 109' ' ' GLU . 7.6 m-30 -93.93 93.71 8.06 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.957 -177.015 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -119.38 153.18 35.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.977 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.792 HD21 HG23 ' A' ' 105' ' ' ILE . 0.4 OUTLIER -137.18 151.32 48.66 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.407 -0.815 . . . . 0.0 108.954 177.692 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.611 ' CD2' ' HE1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -109.06 127.38 54.07 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 176.07 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.568 ' HB3' ' CD1' ' A' ' 28' ' ' TRP . . . -153.62 140.4 19.06 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.866 174.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 27.1 mtp 64.64 25.52 13.11 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.556 0.535 . . . . 0.0 111.395 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 69.12 12.08 8.43 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 121.08 0.467 . . . . 0.0 110.85 -176.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.5 -176.81 3.09 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 174.136 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.661 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 18.2 m-30 -110.72 160.73 16.45 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 175.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.568 ' CD1' ' HB3' ' A' ' 23' ' ' ALA . 73.8 m95 -147.54 167.49 24.36 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.727 ' H ' ' HB2' ' A' ' 32' ' ' CYS . 18.1 m80 -100.13 166.26 11.1 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 169.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.17 -43.75 78.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.614 0.245 . . . . 0.0 111.56 -177.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.9 mtp180 -100.49 -1.64 35.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.475 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.768 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 7.8 m -80.65 -44.29 19.07 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 174.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.545 ' HA ' ' CE3' ' A' ' 28' ' ' TRP . 22.0 tp -60.5 -72.98 0.1 Allowed 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.557 177.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.31 166.66 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 122.631 1.205 . . . . 0.0 113.633 171.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.5 ' HB2' ' N ' ' A' ' 39' ' ' GLN . 1.7 m -75.22 -172.26 1.66 Allowed 'General case' 0 N--CA 1.437 -1.101 0 CA-C-N 113.269 -1.787 . . . . 0.0 111.745 -175.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.2 m -99.4 -55.0 2.8 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.83 170.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 m -101.82 -49.32 4.01 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -177.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.77 -35.81 79.36 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -175.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.5 ' N ' ' HB2' ' A' ' 35' ' ' CYS . 4.4 mm-40 61.45 45.98 7.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.538 -175.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.07 -161.31 0.86 Allowed 'General case' 0 N--CA 1.442 -0.838 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.526 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -101.09 99.97 10.48 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.237 178.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.501 HD23 HD11 ' A' ' 105' ' ' ILE . 0.9 OUTLIER -54.82 -35.97 64.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.686 -178.045 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -82.78 1.05 89.02 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.804 -0.712 . . . . 0.0 113.58 -178.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -107.26 -19.48 13.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 117.263 0.531 . . . . 0.0 111.423 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 pt -84.55 -0.8 6.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.174 0.512 . . . . 0.0 110.792 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 121.71 178.74 15.84 Favored Glycine 0 N--CA 1.443 -0.844 0 N-CA-C 110.184 -1.167 . . . . 0.0 110.184 -174.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.29 99.09 11.38 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 117.965 0.882 . . . . 0.0 110.278 179.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 m -163.27 148.03 11.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.078 176.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.516 ' O ' ' HA ' ' A' ' 102' ' ' GLU . 0.1 OUTLIER -157.79 130.78 7.51 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.355 178.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -115.04 127.45 55.65 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 120.962 0.41 . . . . 0.0 110.4 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.0 m -116.84 109.27 16.87 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.702 -178.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -151.46 144.34 24.47 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.0 m 65.5 19.81 11.59 Favored 'General case' 0 N--CA 1.464 0.231 0 O-C-N 123.416 0.448 . . . . 0.0 110.92 -175.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.45 14.11 77.33 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.623 -175.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 52.8 mtm -104.28 165.2 11.21 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.864 0.364 . . . . 0.0 110.676 -178.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.529 HG21 HD11 ' A' ' 33' ' ' LEU . 3.0 mp -119.55 117.05 52.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.69 175.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.647 ' HB3' ' HB3' ' A' ' 61' ' ' ASP . 1.5 mp -124.89 150.39 46.56 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.454 -174.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 24.1 p -79.93 -173.54 3.95 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.021 171.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.524 ' O ' HG12 ' A' ' 63' ' ' ILE . 0.8 OUTLIER -67.3 -44.95 77.95 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.719 0.295 . . . . 0.0 110.93 177.564 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -66.64 -44.0 83.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.859 178.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.647 ' HB3' ' HB3' ' A' ' 57' ' ' LEU . 1.1 m-20 -56.34 -43.63 79.26 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.359 0.599 . . . . 0.0 110.079 177.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -60.18 -48.26 82.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.296 -178.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.524 HG12 ' O ' ' A' ' 59' ' ' ARG . 44.6 mm -62.3 -28.91 45.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.022 0.439 . . . . 0.0 111.097 -179.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 81.8 mtt180 -79.38 -38.28 35.35 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.321 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' A' ' 65' ' ' LEU . 0.3 OUTLIER -84.82 -60.5 2.03 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -177.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -119.9 39.98 3.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.995 0.426 . . . . 0.0 110.64 -176.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.409 ' HA3' ' O ' ' A' ' 63' ' ' ILE . . . . . . . . 0 N--CA 1.449 -0.455 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.819 -177.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.516 ' HA ' ' O ' ' A' ' 49' ' ' SER . 0.6 OUTLIER . . . . . 0 CA--C 1.533 0.298 0 CA-C-O 120.45 0.167 . . . . 0.0 111.378 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.506 ' HD3' ' HA ' ' A' ' 103' ' ' ARG . 0.0 OUTLIER 59.26 46.2 13.14 Favored 'General case' 0 N--CA 1.462 0.13 0 C-N-CA 122.976 0.51 . . . . 0.0 111.565 178.442 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -111.53 -5.05 14.6 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.792 HG23 HD21 ' A' ' 21' ' ' LEU . 8.3 mt -92.66 124.79 45.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-O 121.435 0.636 . . . . 0.0 111.779 -177.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.523 ' HB ' ' CG ' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -121.57 115.1 22.17 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.687 -1.142 . . . . 0.0 108.0 171.586 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.1 120.92 19.64 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -169.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.534 HD13 ' HA ' ' A' ' 108' ' ' LEU . 0.1 OUTLIER -146.42 101.73 3.51 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 164.016 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.549 ' HB3' ' CD1' ' A' ' 19' ' ' PHE . 40.8 mt-10 . . . . . 0 C--N 1.322 -0.613 0 CA-C-O 121.558 0.694 . . . . 0.0 110.889 -172.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.511 ' NH2' ' HA2' ' A' ' 12' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.433 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 17.8 t -86.21 132.18 34.06 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.993 -174.36 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.07 1.27 57.21 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.243 177.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.525 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -85.5 -58.81 2.0 Allowed Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 121.024 -0.608 . . . . 0.0 112.357 -179.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.9 p -95.24 -42.34 8.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.942 0.401 . . . . 0.0 110.46 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.511 ' HA2' ' NH2' ' A' ' 7' ' ' ARG . . . 122.27 11.39 5.69 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.37 -0.919 . . . . 0.0 113.827 174.011 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.35 -155.09 17.74 Favored Glycine 0 N--CA 1.434 -1.466 0 C-N-CA 120.143 -1.027 . . . . 0.0 111.934 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 7' ' ' ARG . 0.6 OUTLIER -102.27 151.64 21.99 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 114.977 -0.611 . . . . 0.0 109.767 176.318 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.5 mt -99.52 100.0 9.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.062 0.458 . . . . 0.0 110.833 179.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -97.22 -7.05 33.24 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.603 0.716 . . . . 0.0 109.546 177.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.15 146.04 53.79 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.834 -1.075 . . . . 0.0 110.557 179.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -68.35 -31.0 70.09 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.116 0.484 . . . . 0.0 110.621 -179.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.5 ' HA ' ' HB3' ' A' ' 109' ' ' GLU . 11.3 m-30 -104.37 128.44 52.21 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.778 -179.511 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.425 ' C ' HD13 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -156.07 175.59 13.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.777 0.322 . . . . 0.0 111.437 -178.616 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.758 HD21 HG23 ' A' ' 105' ' ' ILE . 0.3 OUTLIER -129.73 159.51 36.25 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.534 -178.679 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.46 ' HD2' ' CD1' ' A' ' 27' ' ' TYR . 4.3 m-85 -127.57 126.58 42.38 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 177.073 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -152.28 125.65 8.76 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.884 -0.327 . . . . 0.0 111.258 -178.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.436 ' HG2' HD21 ' A' ' 104' ' ' LEU . 0.1 OUTLIER 63.29 37.4 11.07 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.178 179.432 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.52 4.61 1.83 Allowed 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.195 -178.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -108.36 146.13 33.46 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 173.017 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.461 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 11.3 m-30 -93.37 156.13 16.97 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -178.161 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.466 ' CE3' HD23 ' A' ' 33' ' ' LEU . 67.9 m95 -141.57 162.61 35.06 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.21 -172.126 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.701 ' HB2' ' HB2' ' A' ' 32' ' ' CYS . 15.1 m80 -88.28 159.1 18.25 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 107.921 -1.141 . . . . 0.0 107.921 167.632 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.45 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 0.5 OUTLIER -60.66 -49.88 75.75 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.864 0.364 . . . . 0.0 110.492 179.424 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 ttp85 -76.72 -19.55 57.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.366 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.701 ' HB2' ' HB2' ' A' ' 29' ' ' HIS . 23.7 m -78.81 -27.81 44.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.742 179.368 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.466 HD23 ' CE3' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -82.32 72.03 9.38 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.657 0.742 . . . . 0.0 109.712 175.408 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.547 ' HG3' ' HA ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -119.33 167.91 11.44 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.213 -176.885 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.542 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 35.9 t -67.85 142.02 56.26 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.862 175.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.9 m -73.26 -10.67 60.01 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.098 0.475 . . . . 0.0 110.519 177.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.37 -46.77 3.05 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.188 -179.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.542 ' HB2' ' HB3' ' A' ' 35' ' ' CYS . 75.7 m -80.61 -33.17 36.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.394 -178.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.547 ' HA ' ' HG3' ' A' ' 34' ' ' LYS . 70.8 mm-40 64.74 20.44 12.13 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.183 -174.126 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -99.79 134.22 43.01 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.276 177.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.679 ' HB3' ' HB2' ' A' ' 44' ' ' ASP . 8.0 tt0 -53.23 123.7 12.54 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.784 -177.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.714 ' HB3' HD11 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -71.53 -29.63 64.99 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.35 -179.236 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.52 -0.65 87.69 Favored Glycine 0 CA--C 1.519 0.323 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.382 176.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.679 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . 22.8 t70 -87.06 -16.08 36.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.276 0.56 . . . . 0.0 110.246 179.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 11.8 pt -105.81 11.24 8.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.399 0.618 . . . . 0.0 110.413 178.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.35 -147.27 17.87 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 110.801 -0.92 . . . . 0.0 110.801 -176.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.17 100.79 10.37 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 117.149 0.475 . . . . 0.0 110.1 175.073 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.598 ' H ' HD12 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -162.71 140.74 8.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.524 178.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 31.3 p -175.34 147.51 0.88 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.877 0.37 . . . . 0.0 111.134 176.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.422 ' HE2' ' HD3' ' A' ' 59' ' ' ARG . 10.8 m-85 -116.31 141.84 47.63 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.428 173.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.467 HG23 HG13 ' A' ' 56' ' ' ILE . 6.9 m -137.2 102.22 4.76 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.133 0.492 . . . . 0.0 110.722 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.1 mmtm -141.74 136.21 30.54 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.368 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.7 m 70.92 13.3 7.05 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 123.345 0.403 . . . . 0.0 110.701 -174.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 78.7 -0.52 76.72 Favored Glycine 0 N--CA 1.45 -0.393 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -171.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.32 121.47 30.76 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.214 -0.493 . . . . 0.0 109.941 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.467 HG13 HG23 ' A' ' 51' ' ' THR . 3.2 mp -97.4 113.53 32.1 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.793 178.282 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.27 175.25 7.18 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.689 -177.213 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.748 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 12.3 p -81.91 177.05 9.07 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.569 174.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.422 ' HD3' ' HE2' ' A' ' 50' ' ' TYR . 0.4 OUTLIER -67.29 -37.93 84.22 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.307 0.575 . . . . 0.0 110.007 177.635 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.93 -44.71 65.57 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.209 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.748 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 3.4 m-20 -69.04 -29.15 67.24 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.744 0.275 . . . . 0.0 111.744 -175.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.454 ' HD2' HD13 ' A' ' 63' ' ' ILE . 66.6 t80 -61.83 -40.9 96.9 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.456 179.136 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.454 HD13 ' HD2' ' A' ' 62' ' ' TYR . 3.9 mm -73.39 -17.1 17.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.223 0.535 . . . . 0.0 110.79 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -88.91 -35.87 16.25 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.663 178.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' ' 65' ' ' LEU . 5.4 tp -91.42 -41.35 10.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.932 -176.123 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -108.56 -42.94 4.41 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.775 0.322 . . . . 0.0 110.445 -178.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.393 0 C-N-CA 121.107 -0.568 . . . . 0.0 112.514 179.676 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.304 0 CA-C-O 120.807 0.337 . . . . 0.0 111.486 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 103' ' ' ARG . 0.0 OUTLIER 60.28 44.49 12.46 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.385 179.045 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.436 HD21 ' HG2' ' A' ' 24' ' ' MET . 0.1 OUTLIER -88.34 -16.27 33.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.793 -178.284 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.758 HG23 HD21 ' A' ' 21' ' ' LEU . 11.3 mt -72.04 122.01 23.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.109 0.48 . . . . 0.0 111.074 -179.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 97.9 m -118.69 103.74 9.96 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 172.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.42 ' HD3' ' O ' ' A' ' 107' ' ' ARG . 0.0 OUTLIER -119.71 120.92 38.01 Favored 'General case' 0 C--N 1.319 -0.759 0 O-C-N 121.527 -0.733 . . . . 0.0 111.308 -174.042 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.502 ' HA ' HD13 ' A' ' 108' ' ' LEU . 0.1 OUTLIER -145.77 101.28 3.53 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.148 174.337 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.5 ' HB3' ' HA ' ' A' ' 19' ' ' PHE . 2.0 mp0 . . . . . 0 C--N 1.319 -0.721 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.148 -178.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.604 ' HG2' ' N ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.541 0.603 0 CA-C-O 120.563 0.22 . . . . 0.0 111.035 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.744 ' HB2' HG12 ' A' ' 15' ' ' ILE . 43.9 t -67.23 121.19 15.12 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 120.929 0.395 . . . . 0.0 111.625 -175.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.09 -5.96 59.33 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.286 174.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.904 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -74.24 -45.83 23.48 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.254 179.013 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.3 p -112.35 -88.26 0.54 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 176.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 165.13 69.92 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.679 0 N-CA-C 111.482 -0.647 . . . . 0.0 111.482 178.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 178.58 143.43 5.22 Favored Glycine 0 N--CA 1.432 -1.571 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 -177.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -59.45 122.04 13.0 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.744 HG12 ' HB2' ' A' ' 8' ' ' CYS . 3.1 mt -67.05 116.75 6.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.906 -177.166 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.55 20.1 8.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.258 0.552 . . . . 0.0 110.453 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -100.2 148.68 24.36 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.559 177.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.77 2.79 56.26 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.383 0.611 . . . . 0.0 110.071 178.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -123.79 87.56 2.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.312 175.191 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.529 ' H ' HD12 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -105.77 157.95 17.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.284 0.564 . . . . 0.0 111.483 -176.906 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.657 HD21 HG23 ' A' ' 105' ' ' ILE . 0.4 OUTLIER -97.43 152.94 18.45 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.804 -1.089 . . . . 0.0 108.121 171.308 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.563 ' HD2' ' CE1' ' A' ' 27' ' ' TYR . 1.1 m-85 -129.35 126.31 38.63 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.412 ' HB1' ' CD1' ' A' ' 104' ' ' LEU . . . -152.84 118.6 5.37 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.936 -178.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 2.4 mtp 60.05 52.64 5.02 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.199 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 74.38 -40.64 0.45 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.829 0.851 . . . . 0.0 112.677 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.76 156.95 27.24 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.029 0.442 . . . . 0.0 110.372 -178.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.675 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 9.5 m-30 -100.69 157.47 16.66 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.525 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 30.1 m95 -137.0 162.41 33.39 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 -174.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.593 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 16.5 m80 -81.53 155.02 25.96 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 168.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -27.79 69.21 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.98 0.419 . . . . 0.0 110.484 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.62 1.86 41.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.334 178.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.904 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 1.8 m -94.31 -30.18 14.66 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 122.231 -0.293 . . . . 0.0 110.882 -179.308 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.514 HD22 HD22 ' A' ' 21' ' ' LEU . 16.2 tp -82.92 82.3 8.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.25 0.548 . . . . 0.0 109.971 175.003 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.84 ' HG3' ' HA ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -134.26 168.65 18.49 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.088 -175.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.684 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 38.3 t -65.13 145.89 55.7 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.286 177.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.95 -17.16 61.05 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.028 0.442 . . . . 0.0 110.466 177.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -111.06 -42.73 3.89 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.317 -179.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.684 ' HB2' ' HB3' ' A' ' 35' ' ' CYS . 86.4 m -76.65 -51.44 11.54 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.08 178.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.84 ' HA ' ' HG3' ' A' ' 34' ' ' LYS . 0.0 OUTLIER 64.56 29.91 12.99 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.594 -176.315 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.17 -155.24 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.652 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.454 ' HB3' ' HB2' ' A' ' 44' ' ' ASP . 16.1 tp60 -96.16 99.85 11.55 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.405 179.459 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -73.29 -3.83 29.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.311 -178.268 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.91 21.74 7.82 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.272 179.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.454 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . 16.1 t70 -105.57 -50.69 3.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.116 0.484 . . . . 0.0 110.959 -179.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -94.9 52.78 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.54 -179.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 94.5 118.46 3.04 Favored Glycine 0 N--CA 1.446 -0.67 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 -174.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.429 HG22 HD12 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -78.98 100.93 7.51 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 122.414 -0.462 . . . . 0.0 110.816 -174.37 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.9 m -162.02 111.42 1.5 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.314 177.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.488 ' O ' ' HA ' ' A' ' 102' ' ' GLU . 3.1 p -113.1 159.95 18.69 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 176.254 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.636 ' HE2' ' HD3' ' A' ' 59' ' ' ARG . 6.0 m-85 -116.02 118.89 34.15 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.619 0.247 . . . . 0.0 110.764 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.52 ' OG1' HD22 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -90.86 101.71 14.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.734 178.558 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.488 ' HG2' ' O ' ' A' ' 51' ' ' THR . 9.2 mmtm -150.72 141.75 23.02 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 178.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.8 m 61.97 26.92 16.3 Favored 'General case' 0 C--N 1.332 -0.188 0 O-C-N 123.506 0.504 . . . . 0.0 111.533 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.24 18.56 65.25 Favored Glycine 0 CA--C 1.518 0.221 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.073 -178.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.444 ' HG2' ' O ' ' A' ' 52' ' ' LYS . 1.6 ptt? -129.89 170.5 13.83 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -179.284 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.413 ' O ' ' HA ' ' A' ' 35' ' ' CYS . 16.3 mm -120.82 122.44 67.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.396 -178.325 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 mp -122.1 165.2 16.45 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.611 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.652 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 30.5 p -83.29 175.45 9.89 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 172.334 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.636 ' HD3' ' HE2' ' A' ' 50' ' ' TYR . 6.7 tpp180 -63.8 -43.66 95.64 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.547 177.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -62.72 -47.51 83.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.03 0.443 . . . . 0.0 111.253 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.652 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 0.8 OUTLIER -70.47 -32.63 70.24 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.716 -178.681 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -63.92 -45.15 90.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.505 175.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.553 HG12 ' O ' ' A' ' 59' ' ' ARG . 3.5 mm -61.03 -38.42 79.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.166 0.508 . . . . 0.0 110.806 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.502 ' NH1' ' HA ' ' A' ' 61' ' ' ASP . 1.7 mtp-105 -80.5 -0.48 37.67 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.52 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.54 -70.28 0.81 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.81 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -115.93 -21.69 9.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.782 0.325 . . . . 0.0 111.479 -177.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.242 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.925 -176.708 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.607 ' HB3' ' CE1' ' A' ' 50' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--O 1.235 0.332 0 CA-C-O 120.46 0.171 . . . . 0.0 110.693 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 56.85 45.5 21.43 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.744 175.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.52 HD22 ' OG1' ' A' ' 51' ' ' THR . 0.4 OUTLIER -98.61 11.41 38.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.561 178.586 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.657 HG23 HD21 ' A' ' 21' ' ' LEU . 1.6 mt -74.79 102.55 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.825 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.431 ' HB ' ' HB2' ' A' ' 22' ' ' TYR . 60.6 m -105.24 115.07 29.64 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 173.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.29 112.14 10.17 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-O 121.159 0.504 . . . . 0.0 110.738 -172.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.439 ' H ' ' HE1' ' A' ' 22' ' ' TYR . 1.1 mp -128.21 161.94 28.14 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.13 176.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.314 -0.953 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.136 -177.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.667 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 0.0 OUTLIER . . . . . 0 CA--C 1.539 0.535 0 CA-C-O 122.062 0.934 . . . . 0.0 111.855 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.621 ' HB2' HG12 ' A' ' 15' ' ' ILE . 12.5 t -74.01 156.04 37.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.604 -1.18 . . . . 0.0 111.061 -176.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -114.59 12.5 17.27 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.631 174.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.649 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -113.28 -39.12 1.16 Allowed Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.435 -0.888 . . . . 0.0 113.317 -176.037 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.418 ' SG ' ' N ' ' A' ' 12' ' ' GLY . 26.5 p -122.39 -120.32 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.024 0.44 . . . . 0.0 111.651 -175.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.418 ' N ' ' SG ' ' A' ' 11' ' ' CYS . . . -84.3 -39.99 8.78 Favored Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.908 179.003 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 135.71 -10.64 4.28 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.271 -0.966 . . . . 0.0 113.645 176.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.66 81.41 8.64 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 117.048 0.424 . . . . 0.0 110.716 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.621 HG12 ' HB2' ' A' ' 8' ' ' CYS . 2.6 mt -68.32 153.85 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.667 178.171 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.99 74.49 10.52 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 165.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.532 ' HA ' ' HB3' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -61.88 -6.93 3.1 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 114.669 -1.15 . . . . 0.0 112.245 -166.809 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -12.22 49.33 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 172.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.621 ' HA ' ' HB2' ' A' ' 109' ' ' GLU . 12.4 m-85 -160.04 67.86 0.37 Allowed 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.894 -177.026 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.899 HD23 ' HG3' ' A' ' 109' ' ' GLU . 0.1 OUTLIER -107.15 168.99 8.83 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-O 121.421 0.629 . . . . 0.0 112.131 -175.391 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.796 HD11 HG23 ' A' ' 105' ' ' ILE . 1.0 OUTLIER -118.31 148.9 42.0 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.402 -179.551 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.592 ' HD2' HG22 ' A' ' 106' ' ' THR . 3.1 m-85 -118.55 99.55 6.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.054 177.191 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -135.69 142.32 45.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.709 0.29 . . . . 0.0 111.386 -177.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.7 mtt 62.18 30.68 17.74 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.12 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 64.2 16.08 9.8 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.357 -176.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -127.18 164.09 22.42 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 176.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.516 ' CE1' ' HD1' ' A' ' 22' ' ' TYR . 18.9 m-30 -101.68 153.04 20.13 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -179.225 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.614 ' CD2' HD23 ' A' ' 33' ' ' LEU . 87.5 m95 -144.12 171.94 13.59 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.85 -167.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.587 ' CE1' ' HA ' ' A' ' 15' ' ' ILE . 1.5 m80 -94.67 170.5 9.41 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.333 -1.303 . . . . 0.0 110.087 170.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -36.65 78.58 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.518 0.675 . . . . 0.0 110.11 172.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -86.36 -31.72 21.35 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.153 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.649 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 93.0 m -78.77 -31.05 45.96 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 111.505 0.187 . . . . 0.0 111.505 -174.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.768 ' HG ' HD22 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -80.75 75.5 7.66 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 170.648 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.41 ' H ' ' HG3' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -119.17 160.78 21.5 Favored 'General case' 0 CA--C 1.501 -0.922 0 CA-C-N 114.869 -1.06 . . . . 0.0 111.658 -171.482 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.564 ' HB2' ' H ' ' A' ' 39' ' ' GLN . 11.0 m -63.48 164.52 9.2 Favored 'General case' 0 N--CA 1.434 -1.252 0 CA-C-N 112.867 -1.97 . . . . 0.0 111.889 178.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.94 -19.34 23.39 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.329 176.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.61 -62.76 1.55 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.965 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.2 m -58.9 -40.59 84.92 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.047 178.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.564 ' H ' ' HB2' ' A' ' 35' ' ' CYS . 62.0 mt-30 48.64 40.02 14.72 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.59 0.756 . . . . 0.0 111.677 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -91.11 -149.87 0.23 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.478 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.86 64.77 2.07 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 175.214 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.835 ' HG ' HD11 ' A' ' 105' ' ' ILE . 41.0 tp -60.16 -34.08 73.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.639 -177.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.471 ' O ' ' HG3' ' A' ' 107' ' ' ARG . . . -78.84 15.61 9.87 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.997 -0.62 . . . . 0.0 113.494 179.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -133.33 10.41 4.1 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 117.218 0.509 . . . . 0.0 110.965 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.543 HG12 ' O ' ' A' ' 42' ' ' LEU . 23.4 pt -92.92 -28.21 4.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.842 0.353 . . . . 0.0 111.215 -179.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 96.18 -29.48 10.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.874 -0.679 . . . . 0.0 113.027 176.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.51 148.87 33.27 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.499 0.19 . . . . 0.0 110.649 -179.368 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.563 ' HA ' ' HB ' ' A' ' 105' ' ' ILE . 1.3 m -77.25 139.09 39.76 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.899 0.381 . . . . 0.0 110.879 -177.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.532 ' OG ' HG13 ' A' ' 105' ' ' ILE . 1.4 p -95.03 -170.61 2.23 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.667 -178.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.477 ' CD2' ' HD2' ' A' ' 59' ' ' ARG . 0.6 OUTLIER -129.83 143.96 51.07 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.37 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.25 125.02 53.38 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.874 0.369 . . . . 0.0 111.502 -177.133 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.471 ' HG3' ' CE1' ' A' ' 62' ' ' TYR . 19.6 mmtt -149.61 146.47 27.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.081 178.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.8 m 60.28 22.37 11.8 Favored 'General case' 0 C--N 1.332 -0.168 0 O-C-N 123.469 0.481 . . . . 0.0 111.106 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.38 -2.39 45.98 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.9 -0.666 . . . . 0.0 112.232 -176.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 6.2 mtm -93.99 170.0 9.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.251 0.548 . . . . 0.0 110.498 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.415 HG23 HD21 ' A' ' 104' ' ' LEU . 3.8 mt -110.63 118.38 57.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.057 177.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.533 ' HB3' ' HB3' ' A' ' 61' ' ' ASP . 1.1 mp -124.5 162.39 24.08 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.882 -178.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.426 ' SG ' ' HB3' ' A' ' 60' ' ' ASN . 14.1 p -81.57 176.59 9.53 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 169.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.656 ' O ' HG12 ' A' ' 63' ' ' ILE . 4.2 mmm-85 -71.27 -31.63 67.73 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 175.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.476 ' O ' ' HD3' ' A' ' 64' ' ' ARG . 55.8 t30 -62.69 -50.11 72.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.591 173.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.533 ' HB3' ' HB3' ' A' ' 57' ' ' LEU . 1.4 m-20 -55.27 -46.68 76.13 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.224 176.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.471 ' CE1' ' HG3' ' A' ' 52' ' ' LYS . 28.1 t80 -54.87 -45.83 74.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.403 179.119 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.656 HG12 ' O ' ' A' ' 59' ' ' ARG . 21.4 mm -68.49 -25.92 32.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.972 0.415 . . . . 0.0 111.274 -178.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.476 ' HD3' ' O ' ' A' ' 60' ' ' ASN . 2.5 mpp_? -82.37 -35.17 28.02 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.89 0.376 . . . . 0.0 110.941 178.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.5 tp -90.47 -44.46 9.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.878 -175.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -130.31 39.99 3.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.948 0.404 . . . . 0.0 110.349 -176.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.419 ' HA3' ' O ' ' A' ' 63' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.263 0 C-N-CA 121.088 -0.577 . . . . 0.0 113.191 -176.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.448 -0.547 0 CA-C-O 121.178 0.513 . . . . 0.0 112.142 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.43 29.05 16.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 114.827 -1.079 . . . . 0.0 112.081 177.372 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.415 HD21 HG23 ' A' ' 56' ' ' ILE . 38.1 tp -66.93 -45.76 76.88 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 176.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.835 HD11 ' HG ' ' A' ' 42' ' ' LEU . 37.5 mt -82.99 124.13 39.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.454 0.645 . . . . 0.0 110.371 174.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.592 HG22 ' HD2' ' A' ' 22' ' ' TYR . 88.3 m -131.18 86.15 2.34 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 175.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.471 ' HG3' ' O ' ' A' ' 43' ' ' GLY . 0.0 OUTLIER -119.5 96.86 5.38 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.907 -172.777 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.34 102.3 3.58 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.575 174.147 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.899 ' HG3' HD23 ' A' ' 20' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--O 1.21 -1.018 0 N-CA-C 112.176 0.435 . . . . 0.0 112.176 178.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.45 -0.451 0 CA-C-O 120.924 0.393 . . . . 0.0 110.137 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.693 ' HB2' HG12 ' A' ' 15' ' ' ILE . 38.5 t -89.62 137.89 31.94 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.125 -176.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -102.44 3.88 38.19 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.189 176.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.854 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -84.84 -43.42 6.79 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.042 -178.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.8 p -106.42 -73.78 0.67 Allowed 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 175.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 151.89 51.1 0.01 OUTLIER Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.542 -0.837 . . . . 0.0 113.112 177.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -156.13 -149.8 5.45 Favored Glycine 0 N--CA 1.436 -1.345 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.569 176.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.3 tttt -100.73 150.16 23.06 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 176.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.693 HG12 ' HB2' ' A' ' 8' ' ' CYS . 2.1 mt -94.1 105.85 17.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 120.978 0.418 . . . . 0.0 110.653 179.156 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.5 -5.9 53.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.241 0.543 . . . . 0.0 110.051 178.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.89 145.89 37.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.373 179.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.87 -45.15 71.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.542 -178.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -89.78 97.6 11.29 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.795 -177.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -101.78 166.64 10.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.998 177.885 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.943 HD22 ' HG ' ' A' ' 33' ' ' LEU . 0.4 OUTLIER -119.07 140.53 49.93 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.858 173.886 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.452 ' HB2' ' HB ' ' A' ' 106' ' ' THR . 3.2 m-85 -113.2 113.59 25.57 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -179.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -152.67 140.61 20.17 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 121.014 -0.274 . . . . 0.0 111.575 -177.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.439 ' H ' HD11 ' A' ' 104' ' ' LEU . 6.1 mtm 62.63 32.88 16.11 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.107 179.211 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 64.47 16.8 10.47 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.997 -178.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -130.25 165.92 21.42 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.959 177.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.512 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 2.7 m-85 -110.36 152.42 26.25 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.89 -177.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.509 ' CD2' HD23 ' A' ' 33' ' ' LEU . 22.0 m95 -139.93 164.54 29.73 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.765 -171.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.577 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 8.3 m80 -79.83 172.0 14.36 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 170.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.34 -44.81 82.26 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 120.881 0.372 . . . . 0.0 110.573 176.12 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.1 ttm105 -92.51 1.95 56.96 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.854 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 42.8 m -95.41 -20.62 18.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 122.075 -0.391 . . . . 0.0 110.609 178.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.943 ' HG ' HD22 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -87.61 76.45 8.9 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 122.084 0.945 . . . . 0.0 109.499 173.896 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.452 ' HG3' ' HA ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -128.65 164.02 23.81 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 114.367 -1.288 . . . . 0.0 109.672 -176.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 35.0 t -60.48 147.45 41.15 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.967 0.413 . . . . 0.0 110.798 -179.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.1 m -77.93 -12.11 59.95 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.071 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.41 -46.57 2.87 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.937 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 70.0 m -79.53 -30.95 42.01 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -178.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.452 ' HA ' ' HG3' ' A' ' 34' ' ' LYS . 18.1 mm-40 60.92 29.53 19.07 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.331 0.586 . . . . 0.0 110.42 -174.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.49 138.41 37.58 Favored 'General case' 0 N--CA 1.438 -1.066 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.395 176.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.749 ' HB3' ' HB2' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -57.13 114.99 2.38 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 114.948 -1.023 . . . . 0.0 110.229 -177.183 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.444 ' O ' HG12 ' A' ' 45' ' ' ILE . 19.6 mt -79.09 -29.87 43.55 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.384 -174.51 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.38 -7.87 79.08 Favored Glycine 0 C--N 1.329 0.162 0 C-N-CA 120.61 -0.805 . . . . 0.0 111.771 176.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.749 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . 6.8 t0 -69.79 -26.08 64.1 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 122.89 0.476 . . . . 0.0 110.668 178.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.444 HG12 ' O ' ' A' ' 42' ' ' LEU . 17.2 pt -100.21 -1.78 9.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.661 -179.201 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 123.72 -122.82 5.02 Favored Glycine 0 N--CA 1.445 -0.726 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.53 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.401 ' HA ' ' HB ' ' A' ' 105' ' ' ILE . 0.1 OUTLIER -128.23 103.25 7.08 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-O 121.636 0.731 . . . . 0.0 109.933 173.884 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.763 ' H ' HD12 ' A' ' 105' ' ' ILE . 4.4 m -161.04 111.24 1.71 Allowed 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.54 179.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.591 ' OG ' HG13 ' A' ' 105' ' ' ILE . 0.1 OUTLIER -153.34 124.27 7.37 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 177.335 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -84.12 112.1 19.92 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 120.995 0.426 . . . . 0.0 111.061 -173.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.497 HG23 HD22 ' A' ' 104' ' ' LEU . 0.2 OUTLIER -85.99 100.24 12.0 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.183 -176.07 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.906 ' HE2' HD12 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -157.4 137.32 12.45 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.904 -1.044 . . . . 0.0 108.314 176.205 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 64.98 14.19 9.17 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 123.39 0.431 . . . . 0.0 111.253 -177.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 61.77 21.2 60.54 Favored Glycine 0 C--N 1.333 0.41 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 -173.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.558 ' HB3' ' NZ ' ' A' ' 52' ' ' LYS . 10.9 ttm -113.14 117.32 31.62 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.533 -0.334 . . . . 0.0 110.385 -173.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.474 HD11 ' CH2' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -77.22 114.3 17.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.98 -179.197 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.906 HD12 ' HE2' ' A' ' 52' ' ' LYS . 87.5 mt -125.83 166.09 17.5 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.309 177.235 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 7.5 p -81.4 -177.19 6.39 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.331 175.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.6 mtt85 -80.78 -10.58 59.71 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.488 176.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -93.76 -49.18 5.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.816 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -63.66 -35.69 81.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.687 -177.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -55.2 -41.87 72.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.373 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.1 mm -64.37 -34.7 71.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.759 -176.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.44 HH11 ' HD2' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -85.68 -31.49 22.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.46 -177.479 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.591 HD12 HD13 ' A' ' 57' ' ' LEU . 65.3 mt -91.72 -39.03 12.05 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -174.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -125.23 -41.82 2.04 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -172.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.541 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.872 -175.561 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.552 ' O ' ' HA ' ' A' ' 48' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.149 0 CA-C-O 120.51 0.195 . . . . 0.0 111.304 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.417 ' HD3' ' HA ' ' A' ' 103' ' ' ARG . 0.2 OUTLIER -77.69 52.41 1.0 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.439 0.637 . . . . 0.0 111.124 -179.022 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.497 HD22 HG23 ' A' ' 51' ' ' THR . 16.1 tp -93.39 -22.14 19.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.663 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.763 HD12 ' H ' ' A' ' 48' ' ' SER . 54.6 mt -76.61 105.71 5.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.211 0.529 . . . . 0.0 110.615 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.452 ' HB ' ' HB2' ' A' ' 22' ' ' TYR . 36.2 m -100.9 106.01 17.33 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.232 176.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.3 111.79 19.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.054 0.455 . . . . 0.0 109.991 -177.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 11.7 mt -145.62 100.69 3.47 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.889 177.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.571 ' HA ' HD12 ' A' ' 20' ' ' LEU . 21.3 pm0 . . . . . 0 C--N 1.316 -0.879 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.976 179.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.525 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.406 0 CA-C-O 121.084 0.469 . . . . 0.0 110.543 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.401 ' HB2' HG12 ' A' ' 15' ' ' ILE . 6.7 t -77.33 145.76 37.16 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.197 -0.911 . . . . 0.0 111.478 -176.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.426 ' HA ' ' NH2' ' A' ' 7' ' ' ARG . . . -109.55 8.84 25.25 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.194 172.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.639 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -102.4 -44.77 1.79 Allowed Glycine 0 N--CA 1.444 -0.799 0 CA-C-N 115.397 -0.82 . . . . 0.0 112.592 -177.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.429 ' SG ' ' N ' ' A' ' 12' ' ' GLY . 20.6 p -110.34 -95.19 0.42 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.985 0.392 . . . . 0.0 111.13 -179.526 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.429 ' N ' ' SG ' ' A' ' 11' ' ' CYS . . . -105.54 -91.67 2.23 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 121.035 -0.602 . . . . 0.0 112.858 -178.308 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -151.07 -97.16 0.16 Allowed Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.73 -177.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.606 ' HD3' ' HB2' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -54.17 114.99 1.82 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.924 0.392 . . . . 0.0 111.853 -177.104 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.745 HG22 ' H ' ' A' ' 17' ' ' ASP . 10.2 mt -73.45 -71.85 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.824 -179.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.606 ' HB2' ' HD3' ' A' ' 14' ' ' LYS . . . 62.6 20.48 12.04 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 123.555 0.534 . . . . 0.0 111.458 -179.038 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.745 ' H ' HG22 ' A' ' 15' ' ' ILE . 0.5 OUTLIER -100.6 155.9 17.61 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.755 175.698 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 ttm105 -75.89 -40.13 55.06 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 176.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.0 m-30 -91.66 113.5 25.78 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.162 178.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.407 HD21 ' CE2' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -151.66 168.59 24.53 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.492 177.897 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.617 HD13 ' HA3' ' A' ' 43' ' ' GLY . 0.2 OUTLIER -128.2 154.48 45.77 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.0 0.429 . . . . 0.0 110.942 -177.35 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.455 ' HD2' ' CD1' ' A' ' 27' ' ' TYR . 2.8 m-85 -121.35 114.47 21.37 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.052 177.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -146.38 130.63 17.52 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.818 0.342 . . . . 0.0 111.423 -176.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 61.26 39.09 16.03 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.233 178.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 59.32 25.17 13.78 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.306 -178.138 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.91 148.01 52.29 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.393 175.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.468 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 11.6 m-30 -97.99 149.2 22.7 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 -177.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.512 ' CD2' HD23 ' A' ' 33' ' ' LEU . 35.2 m95 -142.07 175.09 10.01 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.846 -172.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.603 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 15.9 m80 -94.16 166.51 12.09 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 166.105 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -42.73 98.84 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.912 0.386 . . . . 0.0 110.838 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.6 tpp85 -84.16 -20.17 32.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.214 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.639 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 57.8 m -77.95 -24.45 48.19 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.603 ' HG ' HD22 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -85.36 87.58 7.4 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 172.426 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.57 ' HG3' ' HA ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -132.28 170.69 14.7 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.974 -175.437 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 41.9 t -60.18 145.94 45.24 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.258 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.1 m -84.01 -8.98 59.0 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.376 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.3 m -111.15 -43.21 3.77 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.372 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.5 m -100.38 -17.44 17.22 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -177.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.57 ' HA ' ' HG3' ' A' ' 34' ' ' LYS . 87.2 mm-40 63.61 22.15 13.03 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.51 0.671 . . . . 0.0 109.287 -170.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.26 122.7 23.26 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.118 -179.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.705 ' HG3' ' HB3' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -48.57 116.67 1.68 Allowed 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 114.365 -1.289 . . . . 0.0 111.096 -179.748 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 55.9 mt -108.08 -39.94 5.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.663 -175.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.617 ' HA3' HD13 ' A' ' 21' ' ' LEU . . . -85.89 -32.29 18.42 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.091 -1.052 . . . . 0.0 112.879 -177.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.705 ' HB3' ' HG3' ' A' ' 41' ' ' GLN . 10.2 t0 -75.78 -5.12 44.3 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -175.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 pt -95.83 -13.28 8.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.549 176.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.33 -20.88 43.61 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.909 -0.662 . . . . 0.0 113.569 175.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.59 174.05 10.88 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.774 0.287 . . . . 0.0 111.255 -178.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.449 ' HA ' ' HB ' ' A' ' 105' ' ' ILE . 0.1 OUTLIER -89.98 158.72 17.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.05 0.452 . . . . 0.0 111.357 -178.217 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.5 p -105.65 171.92 7.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.12 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.489 ' HE2' ' HG3' ' A' ' 59' ' ' ARG . 2.0 m-85 -110.31 114.22 27.5 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.059 177.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -112.25 115.42 28.77 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.202 0.525 . . . . 0.0 111.22 -178.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.486 ' HB3' ' CE1' ' A' ' 66' ' ' PHE . 17.0 tptt -144.89 135.06 24.04 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.359 177.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.636 ' HB2' ' HG3' ' A' ' 55' ' ' MET . 66.3 m 68.78 17.25 8.84 Favored 'General case' 0 N--CA 1.466 0.34 0 O-C-N 123.433 0.458 . . . . 0.0 110.931 -176.07 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 78.1 -5.51 54.01 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.506 -0.854 . . . . 0.0 111.359 -172.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.636 ' HG3' ' HB2' ' A' ' 53' ' ' SER . 0.1 OUTLIER -80.58 116.66 20.73 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 121.266 0.555 . . . . 0.0 109.821 178.064 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 13.2 mt -85.77 100.55 9.01 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.046 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.36 177.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.8 mt -112.42 164.76 12.89 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.25 -172.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.638 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 25.6 p -80.5 167.82 19.68 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.417 -0.81 . . . . 0.0 109.256 173.442 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.489 ' HG3' ' HE2' ' A' ' 50' ' ' TYR . 20.0 ttm-85 -61.02 -38.22 85.32 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.763 0.316 . . . . 0.0 111.532 -176.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.456 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 36.8 t30 -72.77 -42.99 63.38 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.626 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.638 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 4.6 m-20 -60.26 -39.28 86.26 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.636 -178.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.428 ' HE1' ' HB2' ' A' ' 52' ' ' LYS . 83.8 t80 -56.56 -40.76 75.71 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.017 -178.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 13.0 mm -72.15 -20.85 20.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -178.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' A' ' 60' ' ' ASN . 5.1 mtp180 -85.06 -42.95 14.35 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.728 176.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.05 -43.2 35.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.849 -175.035 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.486 ' CE1' ' HB3' ' A' ' 52' ' ' LYS . 88.6 m-85 -117.98 -43.17 2.77 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.049 -176.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.916 -0.659 . . . . 0.0 113.127 177.43 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.173 0 N-CA-C 110.561 -0.163 . . . . 0.0 110.561 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 64.05 23.98 13.4 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.978 0.418 . . . . 0.0 111.328 177.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.79 19.91 15.15 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.896 0.379 . . . . 0.0 110.704 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.526 HG23 HD21 ' A' ' 21' ' ' LEU . 2.5 mt -115.17 119.4 61.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.141 0.496 . . . . 0.0 110.307 175.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 40.1 m -109.95 108.96 19.41 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 174.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.03 100.65 7.09 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -171.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 34.0 mt -137.57 110.52 7.71 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.871 178.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 . . . . . 0 C--N 1.314 -0.941 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.719 -178.538 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.44 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.71 ' HB2' HG12 ' A' ' 15' ' ' ILE . 2.8 t -62.82 124.54 21.3 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.168 -177.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.69 2.58 29.02 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.937 178.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.889 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -88.07 -49.36 3.8 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.032 178.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.426 ' SG ' ' N ' ' A' ' 12' ' ' GLY . 21.0 p -108.67 -86.81 0.51 Allowed 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.491 177.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.426 ' N ' ' SG ' ' A' ' 11' ' ' CYS . . . 160.73 77.28 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 121.148 -0.548 . . . . 0.0 112.123 179.547 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -178.82 -174.85 45.39 Favored Glycine 0 N--CA 1.425 -2.083 0 N-CA-C 110.046 -1.222 . . . . 0.0 110.046 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.3 mtmt -82.91 131.07 35.2 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-N 115.495 -0.353 . . . . 0.0 110.075 177.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.71 HG12 ' HB2' ' A' ' 8' ' ' CYS . 3.9 mt -78.19 90.41 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.719 -177.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.31 24.38 2.96 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.821 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -100.51 147.86 25.43 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.476 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.1 -5.78 59.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.02 0.438 . . . . 0.0 110.152 177.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -116.94 86.25 2.47 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.299 175.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.493 ' HB2' HG21 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -114.16 169.61 8.9 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.8 -175.758 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.646 HD21 HG23 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -131.14 157.17 43.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.851 -177.427 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.716 ' HD2' HG22 ' A' ' 106' ' ' THR . 5.6 m-85 -125.83 125.44 42.88 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 175.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -151.89 128.05 10.48 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 121.172 -0.211 . . . . 0.0 110.942 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.58 ' HG3' HG21 ' A' ' 51' ' ' THR . 7.0 mmm 63.09 37.4 11.56 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.94 -179.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 59.8 17.2 6.22 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.701 -178.116 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -120.48 143.83 48.32 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 173.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.463 ' CD1' ' HD1' ' A' ' 22' ' ' TYR . 6.5 m-30 -95.64 150.18 20.64 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 120.67 -0.412 . . . . 0.0 109.9 -177.035 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 9.7 m95 -134.65 176.5 8.58 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.138 -174.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.41 ' HB3' ' H ' ' A' ' 30' ' ' SER . 4.3 m80 -83.6 -152.0 0.12 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.347 -0.842 . . . . 0.0 108.965 168.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.41 ' H ' ' HB3' ' A' ' 29' ' ' HIS . 0.1 OUTLIER -102.8 -54.1 2.71 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.053 0.454 . . . . 0.0 110.33 175.225 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.44 ' HG2' ' O ' ' A' ' 31' ' ' ARG . 1.0 OUTLIER -79.22 -13.62 59.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.576 -178.48 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.889 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 82.9 m -78.36 -16.32 57.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.48 -178.288 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.623 HD22 HD22 ' A' ' 21' ' ' LEU . 16.8 tp -85.05 62.45 7.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.748 0.785 . . . . 0.0 109.721 173.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.464 ' CG ' ' HA ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -114.73 155.26 27.0 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.456 -179.66 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.448 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 45.2 t -58.91 140.0 55.92 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 123.402 0.438 . . . . 0.0 110.128 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.2 m -72.57 -5.75 39.3 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.038 0.447 . . . . 0.0 110.446 176.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.52 -41.42 2.82 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.34 -178.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.448 ' HB2' ' HB3' ' A' ' 35' ' ' CYS . 72.3 m -91.86 -30.94 15.9 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -177.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.464 ' HA ' ' CG ' ' A' ' 34' ' ' LYS . 2.2 mp0 63.74 23.81 13.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.49 -173.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -93.86 135.38 35.24 Favored 'General case' 0 N--CA 1.438 -1.051 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.009 175.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.65 114.86 3.52 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.813 -177.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.494 HD12 HD11 ' A' ' 45' ' ' ILE . 0.8 OUTLIER -65.65 -18.2 65.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.943 -172.848 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -91.3 -2.98 70.05 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.109 178.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -95.02 -34.37 12.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.212 0.53 . . . . 0.0 109.896 178.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.494 HD11 HD12 ' A' ' 42' ' ' LEU . 2.7 pt -89.27 55.34 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.335 177.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.91 -131.38 10.46 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -175.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.24 102.91 2.97 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.958 0.409 . . . . 0.0 110.264 172.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -160.37 153.92 22.32 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 178.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.403 ' HB3' HD23 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -161.44 133.77 5.91 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.515 ' O ' ' HA ' ' A' ' 56' ' ' ILE . 14.3 m-85 -119.53 122.94 42.76 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.857 -176.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.58 HG21 ' HG3' ' A' ' 24' ' ' MET . 0.2 OUTLIER -92.3 103.63 16.07 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.944 0.402 . . . . 0.0 110.932 179.845 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.64 ' O ' ' HG2' ' A' ' 55' ' ' MET . 8.5 mmtm -140.14 136.54 33.62 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.482 -179.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.9 m 63.42 22.34 13.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.293 -179.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 79.01 5.05 89.04 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.069 -178.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.64 ' HG2' ' O ' ' A' ' 52' ' ' LYS . 4.1 ptt? -121.61 -179.18 4.01 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 178.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.515 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -118.09 136.16 56.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.221 0.534 . . . . 0.0 110.945 179.634 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 69.5 mt -122.07 168.45 11.94 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.813 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.687 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 27.6 p -83.94 170.48 13.95 Favored 'General case' 0 N--CA 1.442 -0.833 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 173.015 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.3 tpp85 -69.17 -34.47 74.99 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.182 0.515 . . . . 0.0 109.923 177.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -66.06 -41.47 90.74 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.997 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.687 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 6.4 m-20 -77.86 -32.86 52.24 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.573 -177.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -52.94 -42.29 65.31 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.366 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.427 ' O ' ' HA3' ' A' ' 67' ' ' GLY . 2.1 mm -71.9 -14.0 17.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.023 0.439 . . . . 0.0 111.473 -178.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.4 mtt180 -87.67 -53.89 4.55 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.306 0.574 . . . . 0.0 109.945 175.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.543 ' HB3' ' CD1' ' A' ' 66' ' ' PHE . 0.2 OUTLIER -71.94 -48.66 43.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.912 -176.106 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.543 ' CD1' ' HB3' ' A' ' 65' ' ' LEU . 93.8 m-85 -126.83 32.53 5.11 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.921 0.391 . . . . 0.0 111.035 -175.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.427 ' HA3' ' O ' ' A' ' 63' ' ' ILE . . . . . . . . 0 N--CA 1.45 -0.384 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.104 179.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.428 ' HB2' ' H ' ' A' ' 103' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.386 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.428 ' H ' ' HB2' ' A' ' 102' ' ' GLU . 0.1 OUTLIER 45.0 43.86 7.61 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.162 0.506 . . . . 0.0 111.553 175.819 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.6 mt -102.73 -3.47 26.42 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.937 -176.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.646 HG23 HD21 ' A' ' 21' ' ' LEU . 17.6 mt -77.97 93.35 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-O 121.459 0.647 . . . . 0.0 110.971 -179.634 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.716 HG22 ' HD2' ' A' ' 22' ' ' TYR . 97.9 m -101.15 86.68 3.07 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 175.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.451 ' H ' ' HG3' ' A' ' 107' ' ' ARG . 0.0 OUTLIER -93.21 143.48 26.22 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.287 -171.15 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.498 ' HB2' ' CE2' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -138.94 103.93 4.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.61 178.741 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 C--N 1.319 -0.747 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.106 178.322 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.41 ' HD3' ' O ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.366 0 CA-C-O 120.754 0.312 . . . . 0.0 110.788 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.597 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -89.65 141.23 28.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.866 -177.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.86 7.85 41.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.599 -177.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.919 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -108.91 -69.13 0.64 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.422 -0.894 . . . . 0.0 111.882 178.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.439 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -86.83 -7.83 57.87 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 171.062 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.597 ' HA2' ' O ' ' A' ' 8' ' ' CYS . . . 62.44 59.24 9.66 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 121.301 -0.476 . . . . 0.0 113.223 172.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -132.31 -160.7 9.75 Favored Glycine 0 N--CA 1.428 -1.848 0 C-N-CA 120.5 -0.857 . . . . 0.0 111.314 176.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -101.66 118.5 37.07 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-N 115.078 -0.561 . . . . 0.0 110.385 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.683 HG23 ' CD2' ' A' ' 29' ' ' HIS . 0.1 OUTLIER -97.9 91.47 2.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.456 178.084 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.66 27.42 3.46 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.54 0.686 . . . . 0.0 109.575 176.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.18 152.16 20.58 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.477 -177.411 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.454 HH11 ' HB2' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -78.87 -33.68 45.58 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.673 0.749 . . . . 0.0 109.306 176.376 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.699 ' HA ' ' HB3' ' A' ' 109' ' ' GLU . 0.6 OUTLIER -88.12 97.26 10.89 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.675 -1.148 . . . . 0.0 109.76 179.299 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.724 ' O ' ' HA ' ' A' ' 108' ' ' LEU . 0.0 OUTLIER -159.27 159.03 33.6 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 120.337 -0.545 . . . . 0.0 111.296 -177.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.629 HD13 HD21 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -109.09 156.33 19.92 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.173 0.511 . . . . 0.0 111.433 -176.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.456 ' N ' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -132.11 131.61 42.5 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.252 178.363 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -153.19 134.24 14.04 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.899 -0.137 . . . . 0.0 111.046 178.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.541 ' HG3' HG21 ' A' ' 51' ' ' THR . 69.0 mmm 64.12 35.63 10.22 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 123.574 0.546 . . . . 0.0 111.067 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.84 23.55 11.41 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.943 -176.005 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.27 145.17 50.12 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.265 -0.88 . . . . 0.0 108.736 174.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.434 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 6.5 m-85 -101.77 159.43 15.33 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-O 120.793 0.33 . . . . 0.0 110.447 -175.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.717 ' HE3' ' HB2' ' A' ' 32' ' ' CYS . 18.1 m95 -141.11 166.26 25.26 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.199 -174.197 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.797 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 52.2 m80 -86.73 -126.58 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 170.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.1 m -109.01 -41.1 4.81 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.902 173.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.7 1.32 43.28 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -170.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.919 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 0.0 OUTLIER -78.85 -46.24 19.04 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 122.026 -0.421 . . . . 0.0 111.369 -177.179 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.629 HD21 HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -93.3 121.63 34.87 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.363 0.601 . . . . 0.0 110.082 178.221 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.542 ' HG3' ' HA ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -165.33 165.96 19.03 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.967 -1.015 . . . . 0.0 108.737 -175.13 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.635 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 43.2 t -61.99 143.0 57.15 Favored 'General case' 0 N--CA 1.443 -0.791 0 O-C-N 123.291 0.37 . . . . 0.0 110.052 178.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.97 -24.33 65.14 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.771 178.389 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.69 -46.25 3.85 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.635 ' HB2' ' HB3' ' A' ' 35' ' ' CYS . 96.9 m -71.1 -39.71 71.95 Favored 'General case' 0 CA--C 1.521 -0.137 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.628 -179.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.542 ' HA ' ' HG3' ' A' ' 34' ' ' LYS . 76.0 mm-40 62.29 25.29 15.1 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.707 -178.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.417 ' O ' ' HB2' ' A' ' 34' ' ' LYS . . . -100.73 157.12 16.93 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.823 177.174 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.81 103.55 0.36 Allowed 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.689 -179.092 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 42' ' ' LEU . 3.8 mt -70.85 -1.64 12.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.678 -176.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -109.84 6.71 31.22 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.692 -0.766 . . . . 0.0 111.797 176.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -111.12 -58.8 2.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.035 0.445 . . . . 0.0 111.2 -177.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -82.32 49.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.24 0.543 . . . . 0.0 111.051 -179.095 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 100.6 112.55 3.48 Favored Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -175.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.703 HG22 HG21 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -77.99 105.3 9.1 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.299 0.571 . . . . 0.0 111.176 -174.042 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.71 158.72 35.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.348 178.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.55 ' O ' ' HA ' ' A' ' 102' ' ' GLU . 0.1 OUTLIER -149.9 154.88 39.06 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.733 0.301 . . . . 0.0 110.95 -177.553 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.528 ' HE2' ' HA ' ' A' ' 59' ' ' ARG . 5.2 m-85 -137.4 104.89 5.5 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.94 178.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.541 HG21 ' HG3' ' A' ' 24' ' ' MET . 0.2 OUTLIER -98.15 102.55 14.32 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.042 -177.615 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -155.04 138.8 16.17 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.649 178.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.3 m 62.88 28.35 16.34 Favored 'General case' 0 C--N 1.332 -0.173 0 O-C-N 123.473 0.483 . . . . 0.0 111.438 -178.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.95 18.08 66.17 Favored Glycine 0 C--N 1.332 0.344 0 C-N-CA 120.92 -0.657 . . . . 0.0 111.965 -177.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.2 mtm -115.54 170.35 8.49 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.827 0.346 . . . . 0.0 110.652 -176.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.421 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 0.8 OUTLIER -136.39 116.73 17.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.055 177.554 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 mt -127.33 168.7 14.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.118 -173.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.658 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 26.2 p -87.76 178.97 6.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.918 175.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.528 ' HA ' ' HE2' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -61.25 -49.54 76.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.804 0.335 . . . . 0.0 110.708 178.722 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -65.43 -44.35 87.63 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.059 -178.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.658 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 0.6 OUTLIER -71.42 -31.84 67.7 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.625 -176.669 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.467 ' HD1' HD13 ' A' ' 63' ' ' ILE . 54.4 t80 -61.17 -38.33 86.11 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.017 0.437 . . . . 0.0 110.142 175.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.508 HG12 ' O ' ' A' ' 59' ' ' ARG . 10.6 mm -68.68 -27.14 34.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.704 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.404 ' HE ' ' HA ' ' A' ' 61' ' ' ASP . 0.8 OUTLIER -80.71 -29.63 36.39 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.47 175.863 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.31 -53.88 6.82 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.958 -178.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -121.95 -43.96 2.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.079 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.399 0 C-N-CA 120.523 -0.846 . . . . 0.0 113.117 177.079 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.55 ' HA ' ' O ' ' A' ' 49' ' ' SER . 0.0 OUTLIER . . . . . 0 C--O 1.234 0.244 0 CA-C-O 120.376 0.132 . . . . 0.0 111.1 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.514 ' H ' ' HB2' ' A' ' 102' ' ' GLU . 0.1 OUTLIER 54.88 43.5 29.86 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.32 0.581 . . . . 0.0 110.346 -178.452 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.56 -6.22 15.45 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.547 -175.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.703 HG21 HG22 ' A' ' 47' ' ' THR . 6.2 mt -84.58 122.11 37.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 120.974 0.416 . . . . 0.0 111.49 -177.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.08 108.52 20.35 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 167.369 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.61 163.25 27.38 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 114.584 1.327 . . . . 0.0 114.584 -163.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.798 ' H ' HD13 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -63.66 -163.88 0.01 OUTLIER 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 111.373 -2.649 . . . . 0.0 112.877 -177.051 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.699 ' HB3' ' HA ' ' A' ' 19' ' ' PHE . 16.3 pm0 . . . . . 0 C--N 1.317 -0.809 0 CA-C-N 113.85 -1.523 . . . . 0.0 113.845 -166.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.441 ' HD3' ' N ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.376 0 N-CA-C 112.424 0.528 . . . . 0.0 112.424 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.545 ' HB2' HG12 ' A' ' 15' ' ' ILE . 8.1 t -56.75 147.17 23.66 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.412 0.625 . . . . 0.0 111.375 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -116.26 12.09 15.29 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.398 174.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.607 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -103.18 -31.47 5.0 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.447 -0.797 . . . . 0.0 113.13 -176.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.1 p -123.1 -115.26 0.3 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 117.126 0.463 . . . . 0.0 111.789 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -96.28 -53.66 1.45 Allowed Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.885 -0.598 . . . . 0.0 113.19 -175.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -174.26 -105.78 0.19 Allowed Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 119.891 -1.147 . . . . 0.0 113.611 -177.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -55.3 138.05 46.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.299 0.571 . . . . 0.0 111.893 -173.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.545 HG12 ' HB2' ' A' ' 8' ' ' CYS . 8.7 mt -90.89 130.87 39.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.957 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.84 -0.91 53.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.836 -174.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.436 ' H ' HG22 ' A' ' 15' ' ' ILE . 5.2 m-20 -79.17 156.48 28.2 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 176.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.0 ttp-105 -70.33 -31.98 69.51 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 175.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.689 ' HB2' ' HG2' ' A' ' 109' ' ' GLU . 6.2 m-85 -119.41 -153.06 0.52 Allowed 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 114.216 -1.356 . . . . 0.0 108.425 174.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.693 ' HG ' ' HB3' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -158.99 -179.03 7.68 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.215 0.531 . . . . 0.0 112.142 178.183 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.882 HD22 HD13 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -105.2 152.45 22.82 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 170.409 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.464 ' CD2' ' CE1' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -118.09 126.79 52.94 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.42 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.463 ' HB2' HD11 ' A' ' 33' ' ' LEU . . . -152.41 130.91 12.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 123.179 0.3 . . . . 0.0 111.018 178.089 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.0 mtt 59.93 38.4 21.06 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.043 -179.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 65.15 8.06 4.55 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.999 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.07 163.73 15.2 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 175.33 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.693 ' HB3' ' HG ' ' A' ' 20' ' ' LEU . 12.5 m-30 -102.54 148.37 25.63 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.47 ' CB ' HD12 ' A' ' 33' ' ' LEU . 35.7 m95 -136.26 175.19 9.83 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.229 -170.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.703 ' HB2' ' HB2' ' A' ' 32' ' ' CYS . 3.2 m80 -88.11 173.21 8.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.542 -1.208 . . . . 0.0 108.678 168.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.57 -45.56 37.06 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.191 0.519 . . . . 0.0 110.061 174.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.539 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 9.0 ttt-85 -83.69 -16.3 45.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.717 -177.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.703 ' HB2' ' HB2' ' A' ' 29' ' ' HIS . 34.6 m -79.76 -20.08 47.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.993 0.425 . . . . 0.0 110.402 178.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.882 HD13 HD22 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -88.76 25.22 1.81 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.186 173.864 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.587 ' HD3' ' H ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -67.44 165.88 15.73 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.605 178.072 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.576 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 43.9 t -64.35 138.5 58.46 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.699 174.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.7 m -76.86 -4.09 41.94 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.19 0.519 . . . . 0.0 109.877 175.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.2 -43.09 3.25 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.29 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.576 ' HB2' ' HB3' ' A' ' 35' ' ' CYS . 96.2 m -85.52 -31.05 22.94 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.431 0.158 . . . . 0.0 110.95 178.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 63.46 19.87 11.93 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.347 -172.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.52 141.7 33.01 Favored 'General case' 0 N--CA 1.437 -1.108 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.713 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.504 ' HG2' ' HA ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -55.18 109.91 0.6 Allowed 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 114.357 -1.292 . . . . 0.0 111.01 -177.525 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.671 ' O ' HG12 ' A' ' 45' ' ' ILE . 0.3 OUTLIER -76.36 -21.99 55.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.792 -178.435 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.93 -26.55 74.2 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.544 -0.836 . . . . 0.0 111.821 175.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -61.16 -30.0 70.13 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 122.695 0.398 . . . . 0.0 111.521 -179.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.671 HG12 ' O ' ' A' ' 42' ' ' LEU . 8.5 pt -79.34 -10.74 12.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.242 -179.327 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.58 10.47 67.01 Favored Glycine 0 C--N 1.331 0.28 0 CA-C-N 116.025 -0.534 . . . . 0.0 113.429 174.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.603 ' H ' HG13 ' A' ' 45' ' ' ILE . 0.3 OUTLIER -120.85 167.52 12.44 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.456 ' HA ' ' HB ' ' A' ' 105' ' ' ILE . 2.9 m -78.43 152.99 31.86 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.5 0.667 . . . . 0.0 111.828 -177.362 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.553 ' HB3' HD23 ' A' ' 42' ' ' LEU . 2.8 p -97.97 -179.62 4.47 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.543 -176.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.573 ' HE2' ' HD3' ' A' ' 59' ' ' ARG . 15.9 m-85 -120.02 143.85 47.85 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.144 176.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -120.04 114.08 21.47 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.488 -175.431 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.427 ' O ' ' HG2' ' A' ' 55' ' ' MET . 2.2 tttp -155.73 145.41 21.19 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 175.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.2 m 65.0 19.87 11.97 Favored 'General case' 0 N--CA 1.464 0.273 0 O-C-N 123.571 0.544 . . . . 0.0 111.207 -177.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 70.42 11.44 68.13 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.123 -178.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.427 ' HG2' ' O ' ' A' ' 52' ' ' LYS . 2.6 ptp -112.67 166.61 11.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.874 0.369 . . . . 0.0 110.307 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.8 mm -104.5 123.69 58.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.074 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -113.18 142.68 45.5 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -177.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.659 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 28.5 p -80.56 165.23 22.29 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 169.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.573 ' HD3' ' HE2' ' A' ' 50' ' ' TYR . 7.6 tpp180 -59.31 -42.57 91.67 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.974 0.416 . . . . 0.0 110.278 -179.217 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.421 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -63.13 -47.98 80.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.883 178.688 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.659 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 17.2 m-20 -73.07 -33.62 65.76 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-O 120.569 0.223 . . . . 0.0 111.444 -175.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -58.41 -37.7 75.88 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.951 177.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 95.0 mt -66.35 -41.32 88.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.397 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 64' ' ' ARG . 10.6 mtp-105 -68.4 -30.54 69.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.997 0.427 . . . . 0.0 110.679 177.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.423 ' HB3' ' CD2' ' A' ' 66' ' ' PHE . 1.1 mm? -84.68 -59.6 2.31 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.739 -174.466 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.423 ' CD2' ' HB3' ' A' ' 65' ' ' LEU . 3.5 m-85 -134.32 -36.83 0.88 Allowed 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -174.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 0.233 0 O-C-N 123.356 0.41 . . . . 0.0 114.0 -173.745 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 121.45 0.643 . . . . 0.0 109.742 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -172.5 29.1 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 -178.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.6 tp -101.5 -4.2 27.2 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.755 -1.111 . . . . 0.0 111.582 -172.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.688 HG23 HD21 ' A' ' 21' ' ' LEU . 16.1 mt -110.69 89.05 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.822 0.82 . . . . 0.0 110.828 177.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.461 ' O ' ' HD1' ' A' ' 22' ' ' TYR . 21.8 m -95.8 105.83 17.89 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.831 -1.077 . . . . 0.0 108.945 175.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.45 ' HB2' ' HG ' ' A' ' 21' ' ' LEU . 6.9 tpt180 -130.58 116.2 17.81 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.246 0.546 . . . . 0.0 111.551 -174.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.0 159.93 42.98 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.04 171.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.689 ' HG2' ' HB2' ' A' ' 19' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.32 -0.712 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 -176.265 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.52 -0.203 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.459 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 10.7 t -71.25 142.38 50.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.255 0.55 . . . . 0.0 111.762 -176.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -107.16 -0.15 22.96 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.352 172.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.885 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -92.07 -40.65 5.14 Favored Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.212 179.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.461 ' SG ' ' N ' ' A' ' 12' ' ' GLY . 26.4 p -120.14 -88.03 0.63 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.718 0.294 . . . . 0.0 110.413 175.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.461 ' N ' ' SG ' ' A' ' 11' ' ' CYS . . . 162.27 107.1 0.21 Allowed Glycine 0 N--CA 1.444 -0.775 0 N-CA-C 111.675 -0.57 . . . . 0.0 111.675 178.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 156.45 139.97 2.86 Favored Glycine 0 N--CA 1.437 -1.244 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -177.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -60.75 131.91 52.21 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.56 HD12 ' HB3' ' A' ' 27' ' ' TYR . 1.1 mt -93.74 105.97 17.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.143 0.497 . . . . 0.0 111.75 -172.415 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -108.39 23.05 15.09 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.892 176.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.08 139.89 50.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.058 -178.105 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -68.9 -41.49 78.2 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 174.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.685 ' HA ' ' HG2' ' A' ' 109' ' ' GLU . 12.0 m-85 -112.3 107.87 16.86 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.008 178.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -143.75 154.07 43.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.399 0.618 . . . . 0.0 111.805 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.785 HD21 HG23 ' A' ' 105' ' ' ILE . 1.1 tt -113.37 148.86 34.96 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.111 -0.95 . . . . 0.0 108.921 177.398 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.636 ' HB2' ' O ' ' A' ' 26' ' ' SER . 27.7 p90 -151.8 157.26 41.71 Favored 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 119.988 -0.685 . . . . 0.0 112.017 179.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.86 160.53 41.27 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.085 -178.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 4.2 mtp 62.45 28.85 17.0 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 123.342 0.401 . . . . 0.0 111.056 177.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 69.93 -0.11 2.85 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.206 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.636 ' O ' ' HB2' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -110.08 157.55 19.22 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 176.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.625 ' HA ' ' CB ' ' A' ' 22' ' ' TYR . 6.7 m-30 -90.33 157.02 17.85 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.025 0.441 . . . . 0.0 110.377 179.133 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.53 ' CE3' ' HA ' ' A' ' 33' ' ' LEU . 61.5 m95 -142.91 173.9 11.14 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.756 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 35.5 m80 -103.19 158.45 16.31 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 164.489 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.74 -44.07 66.19 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -174.388 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.43 -4.51 45.02 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 121.253 -0.179 . . . . 0.0 111.372 179.353 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.885 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 20.1 m -79.64 -35.7 38.98 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 176.109 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.53 ' HA ' ' CE3' ' A' ' 28' ' ' TRP . 31.9 tp -68.32 -70.21 0.28 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 175.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.8 ' HG3' ' HA ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER 50.05 -174.13 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 115.028 -0.987 . . . . 0.0 113.277 172.117 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.617 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 51.5 t -98.34 143.25 29.01 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.002 175.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.7 m -74.53 -7.09 51.95 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.94 0.4 . . . . 0.0 110.404 177.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.491 ' HB2' ' OD2' ' A' ' 61' ' ' ASP . 0.1 OUTLIER -117.7 -43.68 2.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.273 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.617 ' HB2' ' HB3' ' A' ' 35' ' ' CYS . 93.8 m -79.86 -45.67 18.25 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.981 -0.288 . . . . 0.0 110.649 177.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.8 ' HA ' ' HG3' ' A' ' 34' ' ' LYS . 47.8 mt-30 65.71 18.97 11.34 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.068 -177.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.15 -154.54 0.48 Allowed 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.539 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.472 ' HB3' ' HB2' ' A' ' 44' ' ' ASP . 2.2 tp-100 -83.99 97.61 9.36 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.027 0.441 . . . . 0.0 110.244 178.371 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.44 HD12 HD11 ' A' ' 45' ' ' ILE . 19.8 tp -61.99 -25.3 67.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.191 -177.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -92.54 5.1 77.09 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.84 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.472 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . 11.5 t70 -100.51 -12.8 19.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.2 0.524 . . . . 0.0 110.912 -179.113 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.522 ' H ' HG13 ' A' ' 45' ' ' ILE . 0.4 OUTLIER -105.14 36.78 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.984 178.181 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 99.58 -144.12 16.85 Favored Glycine 0 N--CA 1.442 -0.946 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 -172.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.606 HG22 HG21 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -143.46 103.78 4.15 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.099 0.476 . . . . 0.0 110.475 174.278 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.8 m -159.85 140.83 12.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.93 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.53 ' OG ' HG13 ' A' ' 105' ' ' ILE . 0.1 OUTLIER -148.76 128.0 12.92 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.61 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.549 ' CE1' ' HA ' ' A' ' 59' ' ' ARG . 14.3 m-85 -109.7 104.14 13.08 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.256 -175.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.492 ' HA ' ' O ' ' A' ' 55' ' ' MET . 90.6 m -87.96 102.49 14.78 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.559 176.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -154.85 132.71 11.5 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.188 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.2 m 67.88 21.62 8.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.87 0.367 . . . . 0.0 110.748 -174.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 75.01 3.72 69.65 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.814 -0.708 . . . . 0.0 111.486 -175.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.492 ' O ' ' HA ' ' A' ' 51' ' ' THR . 19.7 mtm -94.6 164.13 13.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.817 0.341 . . . . 0.0 110.333 -179.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.448 HG21 HD11 ' A' ' 33' ' ' LEU . 2.7 mp -136.95 97.05 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.606 177.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.506 HD11 ' CE2' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -111.4 -179.38 3.7 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.009 -175.885 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.495 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 12.5 p -87.35 174.86 8.29 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.871 175.063 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.549 ' HA ' ' CE1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -63.03 -38.0 89.43 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.974 0.416 . . . . 0.0 110.734 179.558 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -75.05 -43.31 54.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.426 -178.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.495 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 62.6 m-20 -70.3 -24.5 63.04 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.129 -177.329 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.427 ' HA ' HD13 ' A' ' 57' ' ' LEU . 60.4 t80 -60.05 -40.65 90.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.235 178.196 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.4 mm -67.83 -31.05 50.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.15 0.5 . . . . 0.0 110.56 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -72.92 -43.25 62.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.152 177.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.38 -57.7 3.73 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.2 -175.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.506 ' CE2' HD11 ' A' ' 57' ' ' LEU . 23.6 m-85 -118.95 -28.27 5.57 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -172.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.44 0 C-N-CA 120.384 -0.912 . . . . 0.0 112.782 179.501 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.494 ' CD ' ' HD2' ' A' ' 103' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.444 -0.774 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.494 ' HD2' ' CD ' ' A' ' 102' ' ' GLU . 3.9 mmm180 49.69 39.08 16.79 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 122.9 0.48 . . . . 0.0 111.301 177.316 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.33 -21.31 13.13 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.027 -178.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.785 HG23 HD21 ' A' ' 21' ' ' LEU . 11.5 mt -64.85 108.15 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.728 0.775 . . . . 0.0 110.321 178.084 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.02 126.0 54.34 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.156 179.016 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -133.23 119.13 19.44 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 120.909 0.385 . . . . 0.0 110.679 -175.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.8 tp -142.48 102.72 4.13 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.895 176.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.685 ' HG2' ' HA ' ' A' ' 19' ' ' PHE . 40.6 mt-10 . . . . . 0 C--N 1.316 -0.861 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.432 -179.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.538 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.203 0 CA-C-O 120.739 0.304 . . . . 0.0 110.491 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.469 ' HB2' HG12 ' A' ' 15' ' ' ILE . 45.0 t -86.25 136.26 33.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.94 -174.421 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -103.36 3.2 34.95 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.917 175.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.668 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -83.01 -47.92 5.63 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.066 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.403 ' SG ' ' N ' ' A' ' 12' ' ' GLY . 11.6 p -103.3 -87.11 0.43 Allowed 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 175.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.403 ' N ' ' SG ' ' A' ' 11' ' ' CYS . . . 168.3 57.33 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.546 -0.835 . . . . 0.0 113.044 177.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -162.32 -150.21 5.91 Favored Glycine 0 N--CA 1.435 -1.378 0 C-N-CA 120.718 -0.753 . . . . 0.0 111.306 176.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -101.28 156.43 17.45 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 115.343 -0.429 . . . . 0.0 110.137 177.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.469 HG12 ' HB2' ' A' ' 8' ' ' CYS . 1.0 OUTLIER -100.75 93.3 2.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 120.907 0.384 . . . . 0.0 110.462 177.032 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.67 27.58 2.29 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.354 0.597 . . . . 0.0 110.104 177.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.89 153.62 17.61 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.727 -177.109 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -76.36 -23.09 54.16 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.584 0.707 . . . . 0.0 109.654 176.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.641 ' HD1' ' HG2' ' A' ' 109' ' ' GLU . 37.2 m-85 -126.09 127.81 46.38 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.719 -179.112 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.461 HD21 ' CE2' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -151.3 176.46 11.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.69 0.281 . . . . 0.0 111.123 -178.4 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.685 HD11 HG23 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -128.83 151.72 49.28 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.969 0.414 . . . . 0.0 110.872 -178.304 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.631 ' HD2' ' CD1' ' A' ' 27' ' ' TYR . 1.1 m-85 -123.25 128.77 50.45 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 175.174 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.407 ' HB3' ' NE1' ' A' ' 28' ' ' TRP . . . -153.11 127.8 9.45 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.941 -0.304 . . . . 0.0 111.672 -177.456 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.426 ' HG3' HG21 ' A' ' 51' ' ' THR . 0.4 OUTLIER 62.22 43.59 8.37 Favored 'General case' 0 N--CA 1.466 0.359 0 O-C-N 123.644 0.59 . . . . 0.0 111.858 176.283 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 62.27 19.73 11.23 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.087 0.47 . . . . 0.0 111.072 -179.303 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.7 155.97 45.72 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 177.015 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.631 ' CD1' ' HD2' ' A' ' 22' ' ' TYR . 7.4 m-85 -109.45 153.07 24.55 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 -178.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.462 ' CD2' HD23 ' A' ' 33' ' ' LEU . 19.8 m95 -140.39 164.36 30.31 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.573 -173.118 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.581 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 10.0 m80 -83.33 166.41 18.49 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.097 169.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.82 -42.4 97.62 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.954 0.407 . . . . 0.0 110.425 175.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.455 ' HG2' ' OE1' ' A' ' 41' ' ' GLN . 0.3 OUTLIER -85.58 -19.91 30.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.595 -179.895 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.668 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 66.1 m -79.66 -21.37 44.87 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.329 -178.398 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.624 ' HG ' HD22 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -82.91 80.99 8.8 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.603 0.716 . . . . 0.0 109.664 173.398 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.662 ' HG3' ' HA ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -137.01 165.76 25.25 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.132 -176.374 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 50.3 t -62.27 146.49 50.81 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.619 179.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.02 -19.93 61.1 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.837 177.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.44 -46.83 3.76 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -178.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 59.3 m -86.17 -29.81 22.95 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -174.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.662 ' HA ' ' HG3' ' A' ' 34' ' ' LYS . 4.8 mp0 66.26 25.19 10.58 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 -168.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -85.49 132.08 34.26 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.687 179.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.534 ' HB3' ' HB3' ' A' ' 44' ' ' ASP . 1.6 tp60 -64.59 105.12 0.9 Allowed 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 114.71 -1.132 . . . . 0.0 110.75 -174.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.928 HD21 ' HA ' ' A' ' 58' ' ' CYS . 18.0 mt -67.08 -22.42 65.84 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.054 -177.366 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -91.91 7.0 79.43 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.207 177.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.534 ' HB3' ' HB3' ' A' ' 41' ' ' GLN . 24.3 t70 -113.7 -32.07 6.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.577 0.227 . . . . 0.0 110.716 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.419 HD11 HD23 ' A' ' 42' ' ' LEU . 34.0 pt -84.27 54.03 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.763 0.792 . . . . 0.0 110.122 175.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 87.83 -130.92 10.33 Favored Glycine 0 N--CA 1.441 -0.98 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.9 -174.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.0 m -143.04 102.1 3.94 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 174.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.6 m -161.61 158.21 25.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.821 0.344 . . . . 0.0 110.66 177.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.553 ' OG ' HG12 ' A' ' 105' ' ' ILE . 0.1 OUTLIER -166.29 138.99 3.91 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 175.417 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.409 ' O ' ' HA ' ' A' ' 56' ' ' ILE . 12.0 m-85 -118.76 117.13 28.07 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.803 -172.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.426 HG21 ' HG3' ' A' ' 24' ' ' MET . 0.2 OUTLIER -96.57 102.06 13.78 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.277 179.538 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -156.72 142.81 18.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.6 175.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.5 m 63.71 25.44 14.2 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 123.667 0.604 . . . . 0.0 111.573 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 69.94 13.02 68.99 Favored Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 111.856 -0.498 . . . . 0.0 111.856 -177.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 2.6 mtm -114.94 172.65 6.92 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.837 0.351 . . . . 0.0 110.567 -176.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.409 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 1.1 mm -126.27 92.5 2.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.531 -0.758 . . . . 0.0 109.508 176.084 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -85.93 161.84 18.84 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.061 0.458 . . . . 0.0 110.922 -176.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.928 ' HA ' HD21 ' A' ' 42' ' ' LEU . 6.0 p -80.73 -175.13 5.12 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.535 174.244 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 59' ' ' ARG . 0.5 OUTLIER -84.1 3.28 35.45 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.004 0.43 . . . . 0.0 110.163 174.677 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -104.55 -49.04 3.64 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.238 0.542 . . . . 0.0 110.197 177.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.412 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 40.3 m-20 -69.48 -44.23 71.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.096 -177.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.424 ' HD2' HD13 ' A' ' 63' ' ' ILE . 69.2 t80 -53.57 -46.01 70.14 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.748 -175.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.456 ' H ' HG12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -73.17 -21.39 19.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.28 -176.467 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 64' ' ' ARG . 13.2 mtt180 -86.2 -25.03 25.86 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.074 0.464 . . . . 0.0 109.917 176.251 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 65' ' ' LEU . 0.2 OUTLIER -81.2 -61.87 1.82 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.696 179.918 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.55 -44.92 1.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.626 -178.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.444 ' CA ' ' HA ' ' A' ' 63' ' ' ILE . . . . . . . . 0 CA--C 1.521 0.411 0 CA-C-N 115.89 -0.595 . . . . 0.0 113.828 177.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.407 ' HB2' ' H ' ' A' ' 103' ' ' ARG . 1.7 pp20? . . . . . 0 CA--C 1.532 0.257 0 CA-C-O 120.562 0.22 . . . . 0.0 110.521 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.407 ' H ' ' HB2' ' A' ' 102' ' ' GLU . 0.0 OUTLIER 46.58 46.76 14.58 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.652 -0.704 . . . . 0.0 112.728 174.693 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.404 ' HB3' ' OG ' ' A' ' 49' ' ' SER . 19.7 tp -83.4 -0.28 49.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.584 0.707 . . . . 0.0 109.313 174.453 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.685 HG23 HD11 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -76.09 98.34 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.686 -179.305 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.42 ' HB ' ' HB2' ' A' ' 22' ' ' TYR . 1.2 m -103.61 121.82 43.72 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 171.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.32 139.28 44.19 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.383 0.611 . . . . 0.0 111.47 -173.469 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.21 103.93 3.9 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.0 177.111 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.641 ' HG2' ' HD1' ' A' ' 19' ' ' PHE . 2.5 mt-10 . . . . . 0 C--N 1.323 -0.586 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.349 -176.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.51 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.775 0.321 . . . . 0.0 110.228 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.436 ' SG ' ' HA ' ' A' ' 28' ' ' TRP . 12.7 t -85.95 151.16 23.97 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.387 -176.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -115.35 2.03 13.87 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.1 -0.954 . . . . 0.0 109.373 173.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.904 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -92.68 -50.81 2.44 Favored Glycine 0 N--CA 1.448 -0.565 0 CA-C-N 115.472 -0.785 . . . . 0.0 112.037 -179.409 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.6 p -98.37 -23.63 15.53 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.012 175.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.35 4.69 54.93 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.36 -0.836 . . . . 0.0 113.539 173.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.91 -150.74 17.49 Favored Glycine 0 N--CA 1.434 -1.453 0 C-N-CA 120.0 -1.095 . . . . 0.0 113.046 -178.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -102.63 142.34 33.96 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 114.63 -0.785 . . . . 0.0 110.55 -179.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.627 HG21 ' HB2' ' A' ' 20' ' ' LEU . 2.6 mt -101.3 95.43 3.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.724 0.297 . . . . 0.0 111.206 177.19 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -105.49 6.95 32.8 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.608 0.718 . . . . 0.0 109.227 173.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -80.42 150.95 29.59 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.84 -1.073 . . . . 0.0 110.302 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.5 tpm_? -67.75 -26.28 66.05 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.31 0.576 . . . . 0.0 111.207 -178.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -106.49 112.09 24.94 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.401 -175.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.627 ' HB2' HG21 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -145.25 170.4 16.35 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.142 0.496 . . . . 0.0 111.073 -177.12 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.886 HD21 HG23 ' A' ' 105' ' ' ILE . 0.4 OUTLIER -131.84 151.51 51.63 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.035 177.269 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.537 ' HD2' ' CD1' ' A' ' 27' ' ' TYR . 0.3 OUTLIER -123.22 118.08 26.79 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 173.611 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.496 ' HA ' ' O ' ' A' ' 104' ' ' LEU . . . -149.56 147.29 27.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.811 0.339 . . . . 0.0 111.666 -176.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.534 ' HG2' HG23 ' A' ' 51' ' ' THR . 1.5 mtp 54.82 39.02 31.22 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.267 176.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 64.58 30.73 12.64 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.249 0.547 . . . . 0.0 110.795 178.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -149.04 168.95 21.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.576 177.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.537 ' CD1' ' HD2' ' A' ' 22' ' ' TYR . 7.2 m-85 -110.34 149.82 29.66 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 178.389 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.444 ' CD2' HD23 ' A' ' 33' ' ' LEU . 18.7 m95 -144.9 178.15 8.23 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.749 -172.211 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.723 ' H ' ' HB2' ' A' ' 32' ' ' CYS . 23.7 m80 -100.62 173.94 6.3 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 168.097 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.41 -46.28 90.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.677 0.275 . . . . 0.0 111.418 -178.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.1 ttp85 -94.58 -9.08 36.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.292 -179.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.904 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 68.4 m -78.93 -31.89 45.37 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 177.07 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.444 HD23 ' CD2' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -80.82 74.67 7.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.482 174.484 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.443 ' H ' ' HG3' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -111.69 161.09 16.64 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.885 -179.899 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.768 ' HB3' ' H ' ' A' ' 39' ' ' GLN . 5.9 t -64.03 164.43 10.6 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.749 -178.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.5 m -92.28 -15.08 27.9 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.589 175.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.498 ' HB2' ' OD2' ' A' ' 61' ' ' ASP . 2.9 m -108.42 -72.11 0.73 Allowed 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 121.015 -0.274 . . . . 0.0 111.322 179.444 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 18.5 p -80.42 -22.15 41.47 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -174.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.768 ' H ' ' HB3' ' A' ' 35' ' ' CYS . 1.4 mp0 65.07 19.15 11.75 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.367 0.667 . . . . 0.0 111.818 -177.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.53 124.65 24.46 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-O 121.108 0.48 . . . . 0.0 109.894 177.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -51.39 103.67 0.06 Allowed 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 114.355 -1.293 . . . . 0.0 110.816 -176.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.654 HD23 HD11 ' A' ' 45' ' ' ILE . 2.1 mt -70.48 -20.2 62.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.966 -175.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.2 -33.42 49.41 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.355 -0.926 . . . . 0.0 111.762 176.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -76.79 -25.87 53.83 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -178.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.654 HD11 HD23 ' A' ' 42' ' ' LEU . 32.2 pt -79.7 -17.3 12.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.949 -179.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 62.5 45.9 94.92 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.535 176.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.05 179.83 6.51 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.413 ' HA ' ' HB ' ' A' ' 105' ' ' ILE . 0.0 OUTLIER -94.86 162.06 13.91 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.864 0.364 . . . . 0.0 111.351 -177.051 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.4 p -110.61 -174.76 2.55 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.423 175.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.567 ' HB2' ' HE3' ' A' ' 52' ' ' LYS . 34.5 m-85 -127.28 155.07 44.09 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 178.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.534 HG23 ' HG2' ' A' ' 24' ' ' MET . 0.2 OUTLIER -109.27 110.79 22.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.037 0.446 . . . . 0.0 111.697 178.861 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.791 ' HE2' HD12 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -156.73 134.01 10.58 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.663 174.569 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 m 60.03 11.7 2.8 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 123.667 0.605 . . . . 0.0 112.302 178.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 68.24 8.32 54.45 Favored Glycine 0 CA--C 1.52 0.402 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.437 -174.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.7 ttm -100.25 100.72 11.58 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 122.825 0.45 . . . . 0.0 110.517 -176.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 37.8 mt -63.12 121.02 11.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.248 -177.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.791 HD12 ' HE2' ' A' ' 52' ' ' LYS . 45.0 mt -125.54 157.87 35.99 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.0 178.197 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.593 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 10.0 p -79.02 173.56 12.45 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 174.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.476 ' HD3' ' OE2' ' A' ' 102' ' ' GLU . 0.3 OUTLIER -69.43 -15.67 63.33 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.01 0.433 . . . . 0.0 110.309 176.542 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -90.33 -49.61 6.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.801 179.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.593 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 17.8 m-20 -69.0 -26.25 64.92 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.728 -178.438 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.506 ' HD2' HD13 ' A' ' 63' ' ' ILE . 79.2 t80 -58.26 -40.59 82.22 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.018 175.06 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.506 HD13 ' HD2' ' A' ' 62' ' ' TYR . 10.4 mm -72.71 -25.75 22.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.705 179.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.453 ' HG3' ' HA ' ' A' ' 61' ' ' ASP . 6.5 mtt-85 -71.43 -40.83 70.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.943 178.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 33.5 mt -96.62 -49.74 4.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.144 -0.48 . . . . 0.0 112.284 -174.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.619 ' CZ ' ' HG3' ' A' ' 52' ' ' LYS . 16.3 m-85 -100.89 -41.56 6.79 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.851 0.358 . . . . 0.0 110.988 -174.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.606 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.862 178.409 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.476 ' OE2' ' HD3' ' A' ' 59' ' ' ARG . 2.1 mt-10 . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.556 0.217 . . . . 0.0 110.828 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 57.77 29.01 16.76 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.624 0.726 . . . . 0.0 109.94 -176.701 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.497 ' HG ' ' H ' ' A' ' 24' ' ' MET . 12.2 tp -84.08 -7.11 59.47 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.835 -1.075 . . . . 0.0 111.265 -175.011 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.886 HG23 HD21 ' A' ' 21' ' ' LEU . 15.5 mt -113.85 110.28 31.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.324 0.583 . . . . 0.0 110.842 -178.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.495 ' HB ' ' HD1' ' A' ' 22' ' ' TYR . 18.7 m -107.77 118.28 36.33 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.073 177.539 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.16 121.22 44.32 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.035 0.445 . . . . 0.0 111.606 -172.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.432 HD22 ' HA ' ' A' ' 108' ' ' LEU . 0.4 OUTLIER -103.52 108.86 20.29 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.602 173.702 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.322 -0.6 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.506 -177.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.415 ' NH2' ' HA ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 121.036 0.446 . . . . 0.0 110.743 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.456 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 27.2 t -63.01 130.35 44.32 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.643 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.415 ' HA ' ' NH2' ' A' ' 7' ' ' ARG . . . -88.06 -1.16 57.83 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.258 178.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.818 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -87.09 -54.42 2.6 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.217 179.573 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.6 p -105.09 -44.04 4.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.928 0.395 . . . . 0.0 110.693 178.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 110.19 106.45 2.98 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.705 -0.759 . . . . 0.0 111.995 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 153.93 149.76 5.3 Favored Glycine 0 N--CA 1.432 -1.597 0 C-N-CA 120.892 -0.67 . . . . 0.0 111.711 -178.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt -67.26 98.6 0.63 Allowed 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.557 HG22 ' HB2' ' A' ' 17' ' ' ASP . 4.1 mt -51.32 -72.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.015 -0.993 . . . . 0.0 112.07 -172.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 60.15 18.58 7.93 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.136 0.493 . . . . 0.0 111.78 -179.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.557 ' HB2' HG22 ' A' ' 15' ' ' ILE . 5.3 m-20 -85.63 162.32 18.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.167 179.295 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.626 ' C ' ' HB2' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -83.78 8.13 15.67 Favored 'General case' 0 C--O 1.214 -0.768 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.131 177.044 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.661 ' HA ' ' HB3' ' A' ' 108' ' ' LEU . 6.7 m-85 -153.22 111.94 3.72 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 122.016 -0.428 . . . . 0.0 110.901 175.57 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.795 ' O ' ' HA ' ' A' ' 108' ' ' LEU . 1.9 pp -155.51 145.97 21.96 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.881 178.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.825 HD22 HD22 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -92.89 142.38 27.38 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.985 -179.888 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.607 ' HD2' ' CD1' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -113.23 127.59 56.21 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 171.65 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -150.18 135.69 18.19 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 121.252 -0.179 . . . . 0.0 111.043 -177.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 1.5 mmm 62.49 31.82 16.88 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.65 -178.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 61.69 13.54 5.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.835 -177.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.61 152.9 25.91 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 171.513 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.607 ' CD1' ' HD2' ' A' ' 22' ' ' TYR . 9.7 m-30 -102.71 140.01 37.55 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 -176.213 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.425 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 42.2 m95 -138.84 -178.71 5.44 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.403 -171.07 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.618 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 14.1 m80 -100.34 163.03 12.57 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 165.154 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.65 -43.45 89.79 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.952 0.406 . . . . 0.0 111.01 179.545 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.1 ttm-85 -95.12 -3.9 47.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.767 -178.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.818 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 17.2 m -84.36 -38.5 20.23 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.766 178.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.825 HD22 HD22 ' A' ' 21' ' ' LEU . 14.9 tp -63.75 -55.61 21.9 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 175.311 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.495 ' HG3' ' C ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER 42.13 -178.69 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 172.225 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.455 ' O ' ' HD2' ' A' ' 34' ' ' LYS . 3.4 m -83.93 169.78 14.69 Favored 'General case' 0 N--CA 1.431 -1.402 0 CA-C-N 112.43 -2.168 . . . . 0.0 111.103 -172.223 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.56 ' OG ' HD23 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -90.2 -49.12 6.74 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.608 174.854 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.83 -51.22 2.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.88 -177.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -34.95 79.17 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -176.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.436 ' H ' ' CB ' ' A' ' 35' ' ' CYS . 2.3 mp0 63.97 40.19 7.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.836 -177.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -98.69 -161.67 0.89 Allowed 'General case' 0 N--CA 1.441 -0.908 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 174.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.687 ' HB3' ' HB2' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -100.88 121.58 41.97 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.09 177.43 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.627 ' HB3' HD11 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -62.85 -33.18 74.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.034 -174.417 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -95.92 -2.29 61.13 Favored Glycine 0 C--N 1.329 0.17 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.703 -178.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.687 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . 25.8 t0 -85.29 -27.3 26.06 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.349 0.595 . . . . 0.0 110.314 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.5 pt -87.73 3.11 5.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.779 178.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 123.25 -168.47 15.45 Favored Glycine 0 N--CA 1.445 -0.709 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 -176.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.99 101.28 12.72 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 117.462 0.631 . . . . 0.0 109.766 176.145 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.491 ' H ' HD12 ' A' ' 105' ' ' ILE . 4.2 m -161.39 140.98 10.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.764 0.316 . . . . 0.0 111.534 -179.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.55 ' OG ' HG13 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -162.48 132.29 4.51 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.059 177.095 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.5 ' CE2' ' HG3' ' A' ' 102' ' ' GLU . 21.0 m-85 -112.27 128.49 56.28 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -112.19 101.63 9.86 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.889 0.376 . . . . 0.0 110.608 177.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -142.97 140.89 31.26 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 25.1 m 64.52 23.93 12.99 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 123.462 0.476 . . . . 0.0 111.331 -178.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 69.27 16.5 71.23 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.776 -0.725 . . . . 0.0 111.683 -175.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -103.57 167.13 9.99 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.779 0.323 . . . . 0.0 110.447 -177.506 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.6 mp -124.07 112.75 33.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.44 175.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.672 ' HB3' ' HB3' ' A' ' 61' ' ' ASP . 0.1 OUTLIER -126.36 148.39 49.59 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.171 -174.402 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.414 ' SG ' ' HB3' ' A' ' 60' ' ' ASN . 16.6 p -77.93 -173.85 3.3 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 171.432 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.437 ' HD3' ' OE1' ' A' ' 102' ' ' GLU . 10.5 tpt180 -71.79 -28.92 63.93 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.674 0.273 . . . . 0.0 110.744 177.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.414 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . 38.3 t30 -77.99 -42.42 32.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.928 0.394 . . . . 0.0 110.453 176.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.672 ' HB3' ' HB3' ' A' ' 57' ' ' LEU . 2.5 m-20 -59.7 -39.36 84.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.595 179.176 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -57.67 -42.41 83.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.353 179.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.539 ' HA ' ' HA3' ' A' ' 67' ' ' GLY . 30.3 mm -72.33 -28.06 27.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.253 0.549 . . . . 0.0 110.782 179.146 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 64' ' ' ARG . 7.9 mtp180 -70.24 -41.41 73.58 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.805 177.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.0 mp -90.21 -57.34 2.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.888 -175.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -118.28 31.87 6.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.755 0.312 . . . . 0.0 111.243 -176.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.539 ' HA3' ' HA ' ' A' ' 63' ' ' ILE . . . . . . . . 0 N--CA 1.445 -0.757 0 C-N-CA 120.389 -0.91 . . . . 0.0 112.19 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.5 ' HG3' ' CE2' ' A' ' 50' ' ' TYR . 1.9 tt0 . . . . . 0 N--CA 1.451 -0.409 0 CA-C-O 120.583 0.23 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.429 ' HD3' ' HB3' ' A' ' 102' ' ' GLU . 0.0 OUTLIER 52.85 44.72 29.97 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.274 -0.875 . . . . 0.0 112.552 173.018 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.438 HD12 ' O ' ' A' ' 49' ' ' SER . 7.8 mt -96.03 8.39 43.85 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.271 0.558 . . . . 0.0 110.073 177.018 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.736 HG12 HD21 ' A' ' 21' ' ' LEU . 10.5 mt -86.69 126.8 40.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.3 -177.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.451 ' HB ' ' HB2' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -100.45 126.79 46.88 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 169.707 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 107' ' ' ARG . 0.0 OUTLIER -64.4 163.41 13.24 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -171.198 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.83 ' H ' HD22 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -63.33 -174.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.241 -1.345 . . . . 0.0 111.991 -178.006 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.626 ' HB2' ' C ' ' A' ' 18' ' ' ARG . 5.9 mm-40 . . . . . 0 N--CA 1.449 -0.501 0 CA-C-O 121.689 0.757 . . . . 0.0 111.925 -173.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.41 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.447 -0.583 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.1 t -79.7 149.14 31.3 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.426 -176.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -112.26 -0.05 15.6 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.558 173.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.594 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -92.14 -59.2 1.32 Allowed Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.03 179.095 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.3 p -93.79 -34.07 13.33 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 174.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 109.7 -3.57 30.65 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.545 -0.836 . . . . 0.0 113.616 171.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.92 -155.68 21.68 Favored Glycine 0 N--CA 1.432 -1.595 0 C-N-CA 120.012 -1.09 . . . . 0.0 112.366 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -103.47 149.47 24.81 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-N 115.003 -0.598 . . . . 0.0 110.159 176.449 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.605 HG21 ' HB2' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -100.25 105.16 17.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.178 0.513 . . . . 0.0 111.086 -179.733 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -115.18 13.76 16.84 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.612 0.72 . . . . 0.0 109.283 175.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.3 173.0 13.02 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.828 -1.078 . . . . 0.0 110.092 178.17 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.1 ttm-85 -91.08 -31.09 16.39 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.384 0.612 . . . . 0.0 109.677 178.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -100.99 113.28 26.12 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.942 179.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.605 ' HB2' HG21 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -141.41 159.97 41.12 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.884 0.373 . . . . 0.0 110.683 -178.733 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.487 HD21 HG23 ' A' ' 105' ' ' ILE . 0.4 OUTLIER -123.51 146.43 48.09 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.962 -179.462 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.493 ' HD2' HG22 ' A' ' 106' ' ' THR . 1.7 m-85 -112.75 117.68 32.89 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 173.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.468 ' HB1' HD13 ' A' ' 104' ' ' LEU . . . -146.52 131.16 17.85 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.908 -0.133 . . . . 0.0 110.937 -176.33 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.425 ' SD ' HG21 ' A' ' 51' ' ' THR . 9.9 mtm 64.38 29.7 13.45 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 123.622 0.576 . . . . 0.0 110.917 -179.096 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 64.61 15.61 9.8 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.976 -176.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.18 167.75 11.53 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 173.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.461 ' CD1' ' HD1' ' A' ' 22' ' ' TYR . 11.1 m-85 -111.3 151.31 28.52 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.533 -178.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 29.7 m95 -142.81 171.73 13.65 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.922 -173.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.664 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 27.4 m80 -96.59 163.3 13.08 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 168.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.13 -45.61 83.37 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -175.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.458 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.7 OUTLIER -99.0 -0.79 41.32 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 121.102 -0.239 . . . . 0.0 111.166 -179.685 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.664 ' SG ' ' HB2' ' A' ' 29' ' ' HIS . 22.2 m -79.3 -30.39 42.86 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 174.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.616 ' O ' ' HB2' ' A' ' 42' ' ' LEU . 8.9 tp -86.32 61.19 6.68 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.377 -0.829 . . . . 0.0 108.795 169.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.458 ' HB3' ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -92.87 157.98 16.09 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.948 -178.229 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.504 ' HB3' ' H ' ' A' ' 39' ' ' GLN . 0.1 OUTLIER -75.43 -176.19 3.08 Favored 'General case' 0 N--CA 1.438 -1.029 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.271 -178.763 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -106.51 -45.76 4.17 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.902 -179.146 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.461 ' HB3' HD21 ' A' ' 65' ' ' LEU . 45.5 p -103.44 -40.85 6.19 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.744 -177.343 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -86.78 -21.12 26.7 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 119.983 -0.687 . . . . 0.0 109.514 176.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.504 ' H ' ' HB3' ' A' ' 35' ' ' CYS . 2.5 mm-40 45.33 42.86 7.78 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 114.753 -1.112 . . . . 0.0 111.758 174.249 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -89.69 169.17 11.53 Favored 'General case' 0 N--CA 1.428 -1.535 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.364 177.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -78.36 87.59 4.39 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-N 114.779 -1.1 . . . . 0.0 109.364 176.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.616 ' HB2' ' O ' ' A' ' 33' ' ' LEU . 6.0 mt -59.51 -27.8 66.48 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.368 -176.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.41 ' HA2' ' CD1' ' A' ' 21' ' ' LEU . . . -76.55 -0.35 67.28 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.701 -0.681 . . . . 0.0 113.427 179.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.63 -29.93 14.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.03 0.443 . . . . 0.0 110.578 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 7.7 pt -93.98 -33.81 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.464 -177.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.755 ' HA2' HG21 ' A' ' 105' ' ' ILE . . . 70.54 21.71 77.71 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.857 178.291 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.472 ' O ' HD12 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -91.09 -167.58 1.85 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.815 0.341 . . . . 0.0 111.122 -179.114 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.74 134.24 39.23 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.736 -173.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.53 ' OG ' HG13 ' A' ' 105' ' ' ILE . 2.1 p -129.9 152.34 49.47 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.204 176.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -124.3 155.28 38.95 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.628 0.251 . . . . 0.0 110.629 -176.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.425 HG21 ' SD ' ' A' ' 24' ' ' MET . 5.1 m -118.67 111.71 18.87 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.622 -175.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -153.71 143.32 21.74 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.748 176.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 71.9 m 67.14 21.26 10.12 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.555 0.534 . . . . 0.0 111.441 -176.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 69.99 17.54 73.71 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.815 -0.707 . . . . 0.0 111.491 -176.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.01 164.97 13.91 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.842 0.353 . . . . 0.0 110.597 -176.447 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 44.2 mm -117.11 128.89 74.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.611 178.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.85 ' HB3' ' HB3' ' A' ' 61' ' ' ASP . 0.7 OUTLIER -138.41 145.08 40.56 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 -175.12 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 30.4 p -76.82 174.91 9.96 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 173.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.497 ' O ' HG12 ' A' ' 63' ' ' ILE . 4.0 tpp85 -58.59 -40.01 81.96 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.963 0.411 . . . . 0.0 110.539 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -66.28 -42.71 88.06 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.949 177.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.85 ' HB3' ' HB3' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -62.06 -41.92 98.65 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.937 177.504 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -54.9 -52.16 63.77 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.571 -176.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.497 HG12 ' O ' ' A' ' 59' ' ' ARG . 2.1 mm -68.48 -29.66 44.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.027 0.442 . . . . 0.0 110.914 -179.262 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -69.85 -41.09 75.35 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.73 178.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.505 HD13 ' HA ' ' A' ' 65' ' ' LEU . 0.4 OUTLIER -86.0 -57.93 2.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.147 -173.916 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -122.2 19.48 10.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.669 -0.241 . . . . 0.0 111.186 -174.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.274 0 C-N-CA 121.278 -0.487 . . . . 0.0 113.137 -178.174 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 . . . . . 0 C--O 1.235 0.312 0 CA-C-O 120.67 0.271 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.48 71.02 0.54 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.05 178.476 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.468 HD13 ' HB1' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -113.53 -41.9 3.55 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.886 -179.825 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.755 HG21 ' HA2' ' A' ' 46' ' ' GLY . 54.2 mt -85.36 120.44 35.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.238 0.542 . . . . 0.0 111.639 -177.474 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.493 HG22 ' HD2' ' A' ' 22' ' ' TYR . 81.5 m -126.0 101.54 6.85 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 171.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.37 153.99 30.01 Favored 'General case' 0 C--N 1.318 -0.784 0 O-C-N 121.721 -0.612 . . . . 0.0 111.381 -170.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.44 104.14 3.89 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.513 176.29 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.434 ' H ' ' HG2' ' A' ' 109' ' ' GLU . 4.0 pt-20 . . . . . 0 C--N 1.321 -0.654 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.51 -175.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.512 -0.513 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 53.9 t -75.59 134.53 40.66 Favored 'General case' 0 N--CA 1.439 -1.016 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.579 175.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -92.98 0.93 57.51 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.965 176.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.833 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -94.58 -56.57 1.33 Allowed Glycine 0 N--CA 1.444 -0.807 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.553 -179.18 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.1 p -103.88 -24.96 13.23 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.823 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 88.09 109.0 1.01 Allowed Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.581 -179.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 154.94 143.37 3.65 Favored Glycine 0 N--CA 1.434 -1.446 0 C-N-CA 120.716 -0.754 . . . . 0.0 111.813 -177.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.57 122.71 15.36 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.339 -0.431 . . . . 0.0 110.057 177.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.536 HG22 ' HB2' ' A' ' 17' ' ' ASP . 1.7 mt -89.77 -94.96 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 111.776 0.288 . . . . 0.0 111.776 -174.189 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 60.05 30.67 20.13 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.212 0.53 . . . . 0.0 110.391 -174.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.536 ' HB2' HG22 ' A' ' 15' ' ' ILE . 1.2 m-20 -79.68 166.16 22.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.111 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -71.16 -31.39 67.63 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 174.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -119.31 95.97 5.02 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.601 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.572 ' H ' HD12 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -133.33 176.43 8.53 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.231 0.538 . . . . 0.0 110.603 176.738 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.085 HD21 HG23 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -129.63 162.05 29.17 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.227 177.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.598 ' HD1' ' HB ' ' A' ' 106' ' ' THR . 0.4 OUTLIER -135.09 134.8 40.68 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 174.124 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -149.43 108.26 3.86 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.302 -176.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.14 59.98 2.21 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.673 -179.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 71.58 -33.56 0.27 Allowed 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 178.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.46 148.65 24.86 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.687 0.279 . . . . 0.0 110.496 -179.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.557 ' CD1' ' HD2' ' A' ' 22' ' ' TYR . 8.9 m-30 -96.84 162.05 13.59 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.915 0.388 . . . . 0.0 110.407 -178.017 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.419 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 70.2 m95 -146.82 178.25 8.47 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.697 -176.28 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.675 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 24.5 m80 -101.85 162.72 12.69 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 164.016 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.411 ' C ' HE21 ' A' ' 41' ' ' GLN . 0.7 OUTLIER -72.15 -18.46 61.88 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.221 -0.591 . . . . 0.0 110.691 -179.079 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -94.9 -27.72 15.56 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.367 175.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.833 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 58.8 m -78.49 -16.58 57.35 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.093 0.473 . . . . 0.0 109.929 176.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.657 ' HG ' HD22 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -75.41 77.39 2.47 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 167.781 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.72 162.44 26.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.155 -166.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.744 ' HB3' ' H ' ' A' ' 39' ' ' GLN . 0.3 OUTLIER -75.51 166.34 23.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.597 176.739 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.447 ' OG ' HG12 ' A' ' 56' ' ' ILE . 1.5 m -99.4 7.17 45.74 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 166.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.483 ' HB2' ' OD2' ' A' ' 61' ' ' ASP . 0.3 OUTLIER -121.9 -77.05 0.58 Allowed 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.997 -176.265 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 22.7 p -79.42 -26.25 41.89 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.731 0.301 . . . . 0.0 110.933 -178.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.744 ' H ' ' HB3' ' A' ' 35' ' ' CYS . 59.0 mt-30 55.03 39.44 31.59 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.245 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -84.45 -154.36 0.17 Allowed 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.785 177.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.974 ' HG2' ' HB2' ' A' ' 44' ' ' ASP . 0.8 OUTLIER -94.73 87.28 4.99 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 121.202 0.525 . . . . 0.0 109.842 176.736 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.409 HD11 ' HB3' ' A' ' 58' ' ' CYS . 5.0 mp -79.36 -6.73 57.44 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.202 -178.373 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -105.74 38.54 3.25 Favored Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.093 177.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.974 ' HB2' ' HG2' ' A' ' 41' ' ' GLN . 0.3 OUTLIER -152.38 48.33 0.75 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.531 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -135.22 9.79 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.495 -173.112 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 102.05 -122.81 7.67 Favored Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 -173.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.457 ' HA ' ' HB ' ' A' ' 105' ' ' ILE . 1.4 t -144.47 99.32 3.34 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.834 0.826 . . . . 0.0 111.183 170.222 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.478 ' HA ' ' O ' ' A' ' 103' ' ' ARG . 0.0 OUTLIER -166.16 113.86 0.91 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.426 170.675 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.8 p -107.81 177.76 4.72 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 178.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.61 ' HE2' ' HA ' ' A' ' 59' ' ' ARG . 2.5 m-85 -133.0 101.42 5.22 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.533 177.05 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.82 102.57 15.27 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.437 178.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.8 tptt -149.73 126.02 10.77 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 121.251 -0.18 . . . . 0.0 111.066 -178.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 58.6 m 61.97 13.09 5.33 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 174.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 69.81 25.82 75.12 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 119.687 -1.244 . . . . 0.0 110.459 -172.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.09 138.88 52.58 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.447 HG12 ' OG ' ' A' ' 36' ' ' SER . 0.1 OUTLIER -92.53 125.13 45.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.299 179.631 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.401 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 0.9 OUTLIER -135.21 151.31 50.5 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.636 179.657 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.635 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 9.8 p -89.08 -175.77 4.92 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 171.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.61 ' HA ' ' HE2' ' A' ' 50' ' ' TYR . 9.7 tpt180 -63.36 -46.51 86.23 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.694 -0.402 . . . . 0.0 109.926 177.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.79 -46.74 80.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.246 178.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.635 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 22.3 m-20 -75.77 -19.97 58.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.526 -174.474 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -66.79 -45.82 77.23 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 174.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.57 HG12 ' O ' ' A' ' 59' ' ' ARG . 2.5 mm -69.97 -23.74 25.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.293 0.568 . . . . 0.0 110.451 177.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.515 ' HB3' ' HA ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -76.26 -48.67 19.43 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.822 179.838 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.76 -34.21 15.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.974 -174.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -126.67 25.39 6.43 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.466 -174.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.449 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 175.378 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.234 0.272 0 CA-C-O 121.247 0.546 . . . . 0.0 110.501 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.478 ' O ' ' HA ' ' A' ' 48' ' ' SER . 3.0 tpp180 -93.94 -145.65 0.24 Allowed 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.559 -177.48 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.791 ' H ' HD22 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -116.11 149.24 39.31 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -174.536 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 1.085 HG23 HD21 ' A' ' 21' ' ' LEU . 9.0 mt -135.72 118.29 22.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 171.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.598 ' HB ' ' HD1' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -91.23 87.4 6.49 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.173 0.511 . . . . 0.0 110.637 -177.452 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.445 ' HA ' ' HD2' ' A' ' 107' ' ' ARG . 0.0 OUTLIER -95.27 81.55 3.64 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.532 179.136 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.1 mt -125.36 102.88 7.63 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.145 0.498 . . . . 0.0 110.812 -178.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 . . . . . 0 C--N 1.321 -0.646 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.846 178.047 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.585 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.414 0 CA-C-O 120.812 0.339 . . . . 0.0 110.202 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.55 ' HB2' HG12 ' A' ' 15' ' ' ILE . 46.2 t -87.55 143.64 27.1 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.431 178.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -104.86 3.49 31.06 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.65 175.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.781 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -94.39 -40.99 4.34 Favored Glycine 0 N--CA 1.445 -0.759 0 CA-C-N 115.636 -0.711 . . . . 0.0 113.009 -176.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.453 ' SG ' ' N ' ' A' ' 12' ' ' GLY . 23.8 p -117.2 -88.26 0.6 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 117.05 0.425 . . . . 0.0 111.677 -177.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.453 ' N ' ' SG ' ' A' ' 11' ' ' CYS . . . -110.76 -113.22 3.43 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.872 -0.68 . . . . 0.0 113.364 -174.508 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.49 ' HA2' ' NH2' ' A' ' 7' ' ' ARG . . . -116.78 -119.9 3.11 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.677 -0.773 . . . . 0.0 113.125 -175.184 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 7' ' ' ARG . 4.0 mttt -62.27 138.38 58.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.088 0.471 . . . . 0.0 111.406 -177.568 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.55 HG12 ' HB2' ' A' ' 8' ' ' CYS . 38.8 mt -86.69 104.48 14.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.356 -179.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.89 -6.65 59.34 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.772 177.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.35 150.65 47.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.962 177.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.46 -19.03 24.34 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.997 0.427 . . . . 0.0 110.076 177.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -114.36 115.55 27.52 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.702 176.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.52 177.58 8.94 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.549 -177.117 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.726 HD23 HD23 ' A' ' 33' ' ' LEU . 4.7 tp -132.4 156.72 46.17 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 -178.147 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.668 ' HD2' ' CD1' ' A' ' 27' ' ' TYR . 1.8 m-85 -123.0 130.48 52.85 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 178.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.583 ' HA ' ' O ' ' A' ' 104' ' ' LEU . . . -153.25 137.93 16.95 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.614 -0.435 . . . . 0.0 112.063 -176.324 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.5 ' HA ' HD22 ' A' ' 104' ' ' LEU . 4.8 mpp? 57.72 38.6 27.54 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.421 175.373 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 65.48 13.14 8.68 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.668 178.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.3 162.3 21.75 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 171.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.668 ' CD1' ' HD2' ' A' ' 22' ' ' TYR . 6.9 m-85 -105.12 151.31 24.18 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 120.442 -0.503 . . . . 0.0 109.66 178.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 62.0 m95 -143.72 179.28 7.24 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.362 -170.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.606 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 12.6 m80 -100.69 163.8 12.17 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 166.086 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.13 -34.46 78.44 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.516 0.675 . . . . 0.0 109.725 175.327 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -86.33 -16.95 35.84 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.41 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.781 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 99.9 m -93.86 -30.8 14.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.442 -178.186 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.726 HD23 HD23 ' A' ' 21' ' ' LEU . 38.6 tp -82.16 87.63 6.51 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 174.12 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.792 ' HB2' ' HA ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -127.45 154.13 45.44 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.496 -174.273 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.736 ' HB3' ' H ' ' A' ' 39' ' ' GLN . 13.1 t -66.83 152.59 45.3 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 175.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.4 m -77.02 -15.03 59.75 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.142 0.496 . . . . 0.0 110.011 176.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -111.73 -37.29 5.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.322 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.56 ' H ' ' HB3' ' A' ' 35' ' ' CYS . 34.5 m -103.65 -41.23 6.01 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 -173.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.792 ' HA ' ' HB2' ' A' ' 34' ' ' LYS . 5.9 mp0 75.0 -37.39 0.35 Allowed 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.28 0.632 . . . . 0.0 111.846 -175.26 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.24 -26.58 13.87 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 121.947 -0.47 . . . . 0.0 111.888 -176.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.836 ' HG3' HG12 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -63.81 -25.17 68.05 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -172.817 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.632 HD12 ' HG ' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -60.39 -30.97 69.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.854 0.359 . . . . 0.0 111.533 -177.02 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -128.6 36.78 2.38 Favored Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 120.467 -0.873 . . . . 0.0 111.982 178.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -122.15 -62.99 1.33 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.824 0.345 . . . . 0.0 111.185 -178.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.836 HG12 ' HG3' ' A' ' 41' ' ' GLN . 1.2 pt -81.87 41.08 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.611 -177.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 87.22 134.4 4.15 Favored Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 110.489 -1.044 . . . . 0.0 110.489 -174.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.91 103.92 8.15 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.38 0.61 . . . . 0.0 110.548 -174.138 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.401 ' HB2' ' HG3' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -160.05 114.4 2.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.458 -178.523 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.3 p -107.84 170.53 7.93 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 110.232 -0.285 . . . . 0.0 110.232 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.473 ' CZ ' ' HG3' ' A' ' 102' ' ' GLU . 2.7 m-85 -138.77 118.77 13.36 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.732 0.301 . . . . 0.0 110.862 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.17 102.57 14.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.808 -176.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.9 ' HE2' HD12 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -157.47 142.51 16.87 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 173.829 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 m 65.9 4.69 3.08 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 67.34 15.31 65.58 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.831 -0.699 . . . . 0.0 111.671 -176.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.8 117.18 31.45 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 121.023 0.439 . . . . 0.0 110.034 -176.381 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 24.2 mt -69.07 113.47 4.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.887 -175.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.9 HD12 ' HE2' ' A' ' 52' ' ' LYS . 35.6 mt -118.92 162.17 18.96 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.021 177.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.573 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 9.3 p -85.71 173.97 9.71 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.389 172.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.401 ' HG3' ' HB2' ' A' ' 48' ' ' SER . 0.2 OUTLIER -65.77 -28.44 69.02 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.702 178.175 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -82.43 -38.41 24.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.287 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.61 ' HA ' ' HB2' ' A' ' 64' ' ' ARG . 10.7 m-20 -69.8 -27.75 65.16 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-O 120.918 0.389 . . . . 0.0 110.586 -178.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.668 ' HE1' ' HG2' ' A' ' 52' ' ' LYS . 56.2 t80 -60.21 -47.07 87.5 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.033 174.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.486 ' HA ' ' HA3' ' A' ' 67' ' ' GLY . 6.8 mt -71.6 -26.35 26.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.991 0.424 . . . . 0.0 110.685 177.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.61 ' HB2' ' HA ' ' A' ' 61' ' ' ASP . 0.4 OUTLIER -63.47 -47.83 80.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.23 178.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.5 mt -105.2 -42.5 5.26 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -174.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -95.11 -19.2 20.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.743 0.306 . . . . 0.0 111.392 -175.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.486 ' HA3' ' HA ' ' A' ' 63' ' ' ILE . . . . . . . . 0 N--CA 1.45 -0.384 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.743 -176.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.473 ' HG3' ' CZ ' ' A' ' 50' ' ' TYR . 5.2 mt-10 . . . . . 0 C--O 1.234 0.277 0 CA-C-O 120.6 0.238 . . . . 0.0 111.242 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.9 30.12 15.39 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.86 175.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.583 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 11.8 mt -87.04 -23.59 24.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.063 -178.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.417 ' HA ' ' O ' ' A' ' 22' ' ' TYR . 46.7 mt -93.06 119.9 41.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.386 0.612 . . . . 0.0 111.622 -176.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.432 ' O ' ' HD1' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -104.86 128.32 53.01 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 114.904 -1.043 . . . . 0.0 109.819 175.915 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.14 102.74 11.86 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 177.407 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.4 ' HB3' ' CE1' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -145.73 103.95 3.83 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.559 -178.346 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.2 mp0 . . . . . 0 C--N 1.32 -0.708 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.895 178.201 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.897 ' HG3' ' HG3' ' A' ' 14' ' ' LYS . 7.4 ttp180 . . . . . 0 N--CA 1.464 0.24 0 CA-C-O 121.09 0.471 . . . . 0.0 111.696 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.563 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 40.9 t -79.57 132.18 36.22 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.142 177.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -95.89 7.71 45.61 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.073 176.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 1.037 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -97.56 -38.37 4.23 Favored Glycine 0 N--CA 1.446 -0.642 0 CA-C-N 115.8 -0.637 . . . . 0.0 112.462 179.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.477 ' SG ' ' N ' ' A' ' 12' ' ' GLY . 22.2 p -122.11 -94.23 0.5 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.277 0.561 . . . . 0.0 110.68 177.444 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.477 ' N ' ' SG ' ' A' ' 11' ' ' CYS . . . 172.15 64.83 0.04 OUTLIER Glycine 0 N--CA 1.442 -0.944 0 N-CA-C 110.462 -1.055 . . . . 0.0 110.462 -179.246 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -156.09 120.14 0.97 Allowed Glycine 0 N--CA 1.437 -1.259 0 N-CA-C 111.354 -0.698 . . . . 0.0 111.354 -175.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.897 ' HG3' ' HG3' ' A' ' 7' ' ' ARG . 1.2 mtpt -63.82 95.51 0.11 Allowed 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.538 -0.331 . . . . 0.0 110.188 -178.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.507 ' HB ' HD23 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -66.18 105.39 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.754 -176.774 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.49 -8.25 45.1 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.337 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.09 154.48 34.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.715 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.66 5.38 28.33 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.535 179.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -122.79 88.88 3.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.786 179.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.507 HD23 ' HB ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -130.59 163.33 27.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.998 0.427 . . . . 0.0 110.937 -178.433 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.942 HD21 HG23 ' A' ' 105' ' ' ILE . 0.4 OUTLIER -102.35 146.49 27.97 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.043 175.279 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.515 ' HB2' ' HB ' ' A' ' 106' ' ' THR . 1.8 m-85 -116.38 122.23 44.23 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 -177.09 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.503 ' HB3' ' CD1' ' A' ' 28' ' ' TRP . . . -152.35 127.4 9.72 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.301 176.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.623 ' HG3' HD21 ' A' ' 104' ' ' LEU . 6.5 mtm 62.52 36.93 13.63 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.017 -178.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 62.93 10.8 4.6 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.679 -178.256 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -116.23 171.65 7.69 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 174.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.563 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 20.8 m-30 -107.9 156.6 19.0 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.96 0.41 . . . . 0.0 110.799 -177.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.503 ' CD1' ' HB3' ' A' ' 23' ' ' ALA . 59.9 m95 -141.36 163.17 33.66 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.117 -176.332 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.661 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 22.4 m80 -97.19 163.89 12.72 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 168.434 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.16 -42.62 96.66 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.896 0.379 . . . . 0.0 110.843 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.9 tpt85 -82.72 -14.29 54.84 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.029 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 1.037 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 69.0 m -85.46 -37.19 20.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.859 179.747 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.635 HD21 HG12 ' A' ' 105' ' ' ILE . 29.6 tp -82.14 68.93 8.75 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 171.526 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.44 ' HD3' ' O ' ' A' ' 32' ' ' CYS . 0.0 OUTLIER -119.75 165.57 14.36 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.668 -1.151 . . . . 0.0 110.802 -173.67 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.436 ' HB2' ' N ' ' A' ' 40' ' ' ALA . 1.0 OUTLIER -42.32 120.41 1.63 Allowed 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 113.314 -1.767 . . . . 0.0 110.748 174.78 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.34 -46.52 86.07 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -172.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.9 m -116.63 -20.01 9.75 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.969 0.414 . . . . 0.0 111.401 -174.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.24 -16.86 20.17 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.052 -172.324 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 65.5 mm-40 53.33 26.35 5.23 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 176.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.436 ' N ' ' HB2' ' A' ' 35' ' ' CYS . . . -83.26 -161.96 0.56 Allowed 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 169.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.843 ' HB3' ' HB2' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -101.74 118.48 37.02 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 177.238 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.607 HD12 ' HG ' ' A' ' 33' ' ' LEU . 10.7 mt -58.61 -60.74 3.33 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.02 0.438 . . . . 0.0 111.433 -176.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.73 40.69 3.04 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.893 -0.67 . . . . 0.0 113.165 -176.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.843 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . 28.2 t0 -108.63 -25.28 10.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.001 0.429 . . . . 0.0 110.985 178.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.502 HD13 ' HB2' ' A' ' 60' ' ' ASN . 0.9 OUTLIER -113.32 16.53 8.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.384 0.611 . . . . 0.0 109.977 178.171 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 126.96 124.74 2.75 Favored Glycine 0 N--CA 1.446 -0.688 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.765 -175.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.59 102.54 8.94 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 122.398 -0.472 . . . . 0.0 111.524 -173.533 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.432 ' HB3' ' HB2' ' A' ' 59' ' ' ARG . 0.4 OUTLIER -162.4 111.85 1.45 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.388 175.21 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.486 ' O ' ' HA ' ' A' ' 102' ' ' GLU . 1.2 p -104.37 139.87 38.72 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 178.529 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.702 ' HE2' ' HD3' ' A' ' 59' ' ' ARG . 2.2 m-85 -101.76 122.85 44.72 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.962 -177.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -97.3 104.49 16.51 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.92 179.08 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.417 ' O ' ' HG2' ' A' ' 55' ' ' MET . 0.1 OUTLIER -153.77 142.37 20.84 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.168 -179.855 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 66.1 m 65.47 21.64 11.84 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 123.547 0.529 . . . . 0.0 111.487 -179.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.01 8.77 79.07 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.852 -176.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.417 ' HG2' ' O ' ' A' ' 52' ' ' LYS . 2.8 ptp -120.81 168.1 11.8 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -179.507 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.561 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 5.4 mt -124.19 121.87 62.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.554 -178.437 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -113.24 -176.55 2.92 Favored 'General case' 0 CA--C 1.506 -0.714 0 CA-C-O 122.345 1.069 . . . . 0.0 111.179 177.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 1.083 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 0.1 OUTLIER -92.41 147.77 22.65 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-N 112.503 -2.135 . . . . 0.0 110.736 -179.006 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.702 ' HD3' ' HE2' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -64.29 -21.94 66.78 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.629 0.728 . . . . 0.0 109.65 173.886 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.502 ' HB2' HD13 ' A' ' 45' ' ' ILE . 19.2 t30 -84.01 -38.4 20.96 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.293 -0.867 . . . . 0.0 112.104 -179.246 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 1.083 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 66.3 m-20 -107.55 -15.24 14.65 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.335 -0.546 . . . . 0.0 112.011 -169.434 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -55.17 -31.21 61.18 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.025 0.441 . . . . 0.0 110.556 174.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.483 ' H ' HG12 ' A' ' 63' ' ' ILE . 0.9 OUTLIER -69.35 -15.85 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.561 -179.804 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.426 ' HD2' ' HB3' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -98.96 -2.83 36.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.236 0.541 . . . . 0.0 110.205 177.781 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -109.82 -50.89 2.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.733 178.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -129.62 34.21 4.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.292 -178.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.611 0 C-N-CA 120.342 -0.932 . . . . 0.0 112.576 -178.797 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.486 ' HA ' ' O ' ' A' ' 49' ' ' SER . 1.2 pt-20 . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 120.57 0.224 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.22 25.46 12.63 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.154 175.072 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.623 HD21 ' HG3' ' A' ' 24' ' ' MET . 1.5 tp -88.05 36.41 0.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.831 0.348 . . . . 0.0 111.295 -179.102 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.942 HG23 HD21 ' A' ' 21' ' ' LEU . 43.9 mt -118.03 102.65 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.108 0.48 . . . . 0.0 110.324 175.461 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.515 ' HB ' ' HB2' ' A' ' 22' ' ' TYR . 18.7 m -105.68 109.45 21.42 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 176.136 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.03 99.35 9.23 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.743 -173.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.09 101.05 7.73 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-O 121.387 0.613 . . . . 0.0 110.376 176.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 . . . . . 0 C--N 1.315 -0.896 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 172.575 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.506 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.531 0.205 . . . . 0.0 110.81 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.549 ' HB2' HG12 ' A' ' 15' ' ' ILE . 50.6 t -79.79 131.34 35.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.197 0.522 . . . . 0.0 111.648 -178.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -102.17 1.73 36.42 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.997 174.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.401 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -81.24 -54.58 3.5 Favored Glycine 0 N--CA 1.447 -0.609 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.074 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.0 p -103.88 -21.28 13.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.344 0.592 . . . . 0.0 110.249 177.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.48 56.38 2.27 Favored Glycine 0 N--CA 1.444 -0.773 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.258 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -147.92 -151.4 5.43 Favored Glycine 0 N--CA 1.434 -1.451 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.641 178.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.9 tttp -102.05 135.87 42.87 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 115.248 -0.476 . . . . 0.0 110.334 178.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.549 HG12 ' HB2' ' A' ' 8' ' ' CYS . 3.4 mt -87.79 89.0 2.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.218 0.532 . . . . 0.0 110.75 177.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -100.97 20.35 15.65 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.844 177.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.38 153.86 17.58 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.842 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.549 ' C ' ' HG3' ' A' ' 109' ' ' GLU . 16.7 ttp180 -84.77 11.46 9.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.845 0.355 . . . . 0.0 110.817 179.32 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.879 ' HA ' ' HB3' ' A' ' 109' ' ' GLU . 18.3 m-85 -140.64 110.91 6.65 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 123.054 0.542 . . . . 0.0 109.822 178.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.749 HD12 ' HG2' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -135.19 178.85 6.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.666 0.27 . . . . 0.0 111.399 -177.628 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.611 HD21 HG23 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -145.76 153.96 41.52 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.481 -179.362 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.662 ' HD1' ' CD1' ' A' ' 27' ' ' TYR . 1.9 m-85 -122.14 127.24 49.86 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 172.141 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -152.43 124.03 7.82 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.365 0.126 . . . . 0.0 111.117 -178.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.7 mtm 65.74 33.9 7.9 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.766 0.666 . . . . 0.0 110.769 -179.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 73.07 -15.11 0.55 Allowed 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.898 -178.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.66 145.73 26.03 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.427 -0.582 . . . . 0.0 109.427 174.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.662 ' CD1' ' HD1' ' A' ' 22' ' ' TYR . 5.4 m-85 -99.59 157.7 16.27 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 52.1 m95 -137.83 165.2 27.05 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.852 -172.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.584 ' HB2' ' HB2' ' A' ' 32' ' ' CYS . 0.9 OUTLIER -81.37 -143.33 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.496 0.665 . . . . 0.0 111.208 178.368 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.514 ' H ' ' HB3' ' A' ' 29' ' ' HIS . 0.9 OUTLIER -90.05 -59.17 2.26 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.26 177.468 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -101.92 9.84 40.24 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.458 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.584 ' HB2' ' HB2' ' A' ' 29' ' ' HIS . 8.3 m -79.75 -21.24 44.7 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.997 -0.281 . . . . 0.0 111.143 -177.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -93.24 79.76 4.47 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 170.54 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.61 168.01 18.44 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.92 -1.037 . . . . 0.0 110.435 -173.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.489 ' HB3' ' H ' ' A' ' 39' ' ' GLN . 44.7 t -59.73 160.78 6.98 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.769 179.152 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 54.3 m -84.48 -20.71 31.24 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.536 177.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.48 -47.08 3.02 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.629 -178.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 59.1 m -73.89 -37.71 64.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.875 0.369 . . . . 0.0 110.57 178.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.489 ' H ' ' HB3' ' A' ' 35' ' ' CYS . 1.1 mt-30 62.5 28.72 16.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.642 -176.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.59 146.93 26.53 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-N 115.221 -0.899 . . . . 0.0 108.708 172.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -59.89 127.54 32.41 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.195 -176.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.874 HD11 ' HA ' ' A' ' 58' ' ' CYS . 0.0 OUTLIER -74.33 -0.14 16.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.346 -178.406 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -106.18 3.67 37.99 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 121.204 -0.522 . . . . 0.0 112.356 179.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -98.1 -47.01 5.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.03 0.443 . . . . 0.0 110.504 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.1 pt -85.36 57.63 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.438 0.637 . . . . 0.0 110.061 176.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 89.19 -159.82 29.03 Favored Glycine 0 N--CA 1.447 -0.603 0 N-CA-C 110.145 -1.182 . . . . 0.0 110.145 -171.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.615 HG22 HG21 ' A' ' 105' ' ' ILE . 0.1 OUTLIER -142.52 102.41 4.06 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 117.884 0.842 . . . . 0.0 111.437 175.759 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.463 ' HB3' ' O ' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -162.78 117.32 1.75 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.835 176.158 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.488 ' O ' ' HG3' ' A' ' 102' ' ' GLU . 0.1 OUTLIER -100.99 112.38 24.81 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 175.384 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.719 ' CD1' ' HB2' ' A' ' 102' ' ' GLU . 15.1 m-85 -80.7 161.61 24.53 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.003 -176.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.2 108.82 9.98 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.661 178.12 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.585 ' HG2' ' HE1' ' A' ' 62' ' ' TYR . 0.9 OUTLIER -152.69 123.37 7.33 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.9 m 66.24 17.05 10.64 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.211 0.319 . . . . 0.0 110.953 -177.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.85 13.55 82.32 Favored Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -173.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.16 158.04 17.78 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.178 -0.511 . . . . 0.0 110.369 -177.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.1 mt -115.8 125.25 72.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.037 176.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.442 ' HB3' ' HB3' ' A' ' 61' ' ' ASP . 1.0 OUTLIER -131.97 168.49 17.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.807 -175.467 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.874 ' HA ' HD11 ' A' ' 42' ' ' LEU . 30.7 p -79.91 -174.65 4.52 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 174.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.716 ' HA ' ' HE2' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -69.67 -51.16 37.11 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.616 -0.434 . . . . 0.0 109.945 176.656 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -55.36 -49.96 70.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.034 178.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.618 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 0.4 OUTLIER -62.56 -40.64 97.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.572 179.718 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.585 ' HE1' ' HG2' ' A' ' 52' ' ' LYS . 58.0 t80 -56.61 -49.53 74.69 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.764 0.316 . . . . 0.0 111.281 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.689 HG12 ' O ' ' A' ' 59' ' ' ARG . 1.9 mm -71.45 -36.95 62.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.012 -178.215 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.4 mtp85 -72.06 -45.37 61.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.39 -178.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.492 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 0.2 OUTLIER -69.3 -57.42 5.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.657 -175.929 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -117.37 -41.46 2.97 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.581 -0.447 . . . . 0.0 111.671 -173.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.252 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.449 -177.653 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.719 ' HB2' ' CD1' ' A' ' 50' ' ' TYR . 2.1 mm-40 . . . . . 0 N--CA 1.451 -0.413 0 CA-C-O 121.047 0.451 . . . . 0.0 111.773 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.04 23.42 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.346 178.275 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 8.4 mt -79.71 41.69 0.5 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.716 -176.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.615 HG21 HG22 ' A' ' 47' ' ' THR . 1.8 mt -106.78 107.45 22.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.225 0.536 . . . . 0.0 110.707 177.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.548 ' HB ' ' HD2' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -100.65 100.38 11.08 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.493 -0.776 . . . . 0.0 108.971 174.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.489 ' NH2' ' HB3' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -125.29 107.15 10.42 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -172.51 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.87 98.25 3.09 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.221 168.239 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.879 ' HB3' ' HA ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.647 0 CA-C-O 120.921 0.391 . . . . 0.0 110.508 176.082 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.462 ' HE ' ' HB2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.734 0.302 . . . . 0.0 110.315 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.535 ' HB2' HG12 ' A' ' 15' ' ' ILE . 54.1 t -82.36 128.6 34.39 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.365 177.486 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -92.78 0.09 57.35 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.242 177.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.761 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -81.44 -61.25 2.11 Favored Glycine 0 N--CA 1.446 -0.633 0 CA-C-N 115.802 -0.635 . . . . 0.0 112.832 -177.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.0 p -84.91 -81.93 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.925 0.393 . . . . 0.0 110.053 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.2 48.81 0.01 OUTLIER Glycine 0 N--CA 1.443 -0.89 0 C-N-CA 120.583 -0.818 . . . . 0.0 113.034 176.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -158.7 -147.16 4.76 Favored Glycine 0 N--CA 1.434 -1.46 0 C-N-CA 120.565 -0.826 . . . . 0.0 111.488 176.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.53 150.67 22.43 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 115.41 -0.395 . . . . 0.0 110.217 178.072 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.535 HG12 ' HB2' ' A' ' 8' ' ' CYS . 1.4 mt -85.85 89.69 2.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.451 0.643 . . . . 0.0 110.22 179.464 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -100.28 12.42 37.13 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.535 -177.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.26 159.48 15.09 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.37 -179.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.4 -8.36 55.13 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.753 -179.253 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -115.7 115.8 26.98 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 176.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.403 ' HG ' ' N ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -145.99 173.37 12.22 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.732 -176.317 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.498 HD22 ' HG ' ' A' ' 33' ' ' LEU . 0.3 OUTLIER -135.46 144.72 46.57 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.445 179.132 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.511 ' HD2' ' CE1' ' A' ' 27' ' ' TYR . 9.8 m-85 -114.73 121.05 42.15 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 175.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -152.28 133.1 14.08 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.726 -176.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.2 mtm 61.31 36.49 17.63 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.016 178.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 65.84 4.9 3.14 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.226 -178.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.73 152.33 26.7 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 176.402 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.517 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 6.7 m-30 -105.48 147.01 28.77 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -177.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.493 ' HA ' ' SG ' ' A' ' 8' ' ' CYS . 16.9 m95 -143.54 175.45 9.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.932 -171.103 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.726 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 29.9 m80 -97.8 171.22 8.44 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 168.266 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.15 -44.1 97.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.892 0.377 . . . . 0.0 110.678 177.482 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -90.71 10.4 26.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.277 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.761 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 94.9 m -108.16 -32.89 7.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.708 -0.224 . . . . 0.0 111.234 178.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.498 ' HG ' HD22 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -79.98 83.54 5.87 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 174.408 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.504 ' HB3' ' HA ' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -148.85 178.66 8.48 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.98 -173.466 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 7.8 t -59.64 131.0 49.59 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.346 175.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.13 7.67 18.08 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.153 0.502 . . . . 0.0 110.172 176.047 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.83 -61.62 1.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.478 -176.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.422 ' SG ' ' HB2' ' A' ' 40' ' ' ALA . 14.5 p -106.76 -1.63 22.4 Favored 'General case' 0 C--O 1.231 0.129 0 C-N-CA 120.944 -0.303 . . . . 0.0 111.412 -177.674 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 69.72 21.23 6.6 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.131 178.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.422 ' HB2' ' SG ' ' A' ' 38' ' ' CYS . . . -61.19 117.9 6.16 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.138 0.494 . . . . 0.0 110.19 174.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.504 ' HA ' ' HB3' ' A' ' 34' ' ' LYS . 0.7 OUTLIER -64.46 102.46 0.55 Allowed 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 114.592 -1.186 . . . . 0.0 110.241 -176.716 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.483 HD11 ' O ' ' A' ' 57' ' ' LEU . 8.0 mt -74.66 -2.36 25.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.368 -172.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -112.75 6.67 25.95 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.814 -0.708 . . . . 0.0 111.633 177.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -109.32 -54.97 2.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.763 0.316 . . . . 0.0 111.078 -178.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -85.72 53.69 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.135 0.493 . . . . 0.0 110.481 179.137 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.86 113.99 2.43 Favored Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -175.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.21 105.06 8.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.21 0.529 . . . . 0.0 110.835 -173.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.572 ' N ' HD12 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -159.76 129.94 5.56 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.25 -0.887 . . . . 0.0 109.89 179.815 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.442 ' N ' HG13 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -94.04 127.08 39.64 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 -179.436 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.461 ' HE2' ' HA ' ' A' ' 59' ' ' ARG . 4.6 m-30 -95.48 138.44 33.16 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 179.448 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.837 ' HB ' ' HD3' ' A' ' 103' ' ' ARG . 28.2 m -136.18 105.25 5.94 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.449 -0.796 . . . . 0.0 112.46 -167.013 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.406 ' HD3' ' CG ' ' A' ' 66' ' ' PHE . 0.6 OUTLIER -155.34 126.96 7.39 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 172.235 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 34.0 m 67.1 20.38 10.33 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.259 -170.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 14.68 61.3 Favored Glycine 0 C--N 1.333 0.408 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 -173.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 13.3 ttm -101.92 149.18 24.48 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.526 -0.337 . . . . 0.0 110.433 -176.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.459 HD13 HD22 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -107.83 126.91 64.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.656 179.667 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.545 HD11 ' HE2' ' A' ' 66' ' ' PHE . 0.3 OUTLIER -140.22 172.56 12.57 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.789 -179.324 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.657 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 26.5 p -84.48 175.7 9.13 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 172.327 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.463 ' HA ' ' HD2' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -66.91 -30.23 70.33 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.665 0.269 . . . . 0.0 110.814 179.509 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -76.59 -46.9 24.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.757 179.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.657 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 0.8 OUTLIER -68.84 -27.4 65.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.758 179.826 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.476 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 8.3 t80 -55.3 -52.32 63.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.648 176.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.498 ' O ' ' HA3' ' A' ' 67' ' ' GLY . 0.4 OUTLIER -79.24 -11.05 12.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.181 -178.696 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.57 -39.81 19.9 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.046 0.45 . . . . 0.0 110.167 177.104 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' A' ' 65' ' ' LEU . 0.1 OUTLIER -84.64 -41.4 16.38 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.654 -177.375 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.545 ' HE2' HD11 ' A' ' 57' ' ' LEU . 82.3 m-85 -119.31 7.51 11.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.806 -173.346 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.498 ' HA3' ' O ' ' A' ' 63' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.255 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.388 -179.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 . . . . . 0 N--CA 1.454 -0.226 0 CA-C-O 121.077 0.465 . . . . 0.0 111.347 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.837 ' HD3' ' HB ' ' A' ' 51' ' ' THR . 0.2 OUTLIER -118.66 -112.07 0.34 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.685 -179.477 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.665 HD23 ' H ' ' A' ' 104' ' ' LEU . 2.6 pt? -116.91 106.47 13.47 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -173.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.572 HD12 ' N ' ' A' ' 48' ' ' SER . 0.3 OUTLIER -110.42 131.05 62.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 O-C-N 121.921 -0.487 . . . . 0.0 109.83 171.717 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.412 ' HB ' ' HB2' ' A' ' 22' ' ' TYR . 8.7 m -125.45 111.23 14.86 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.671 -0.862 . . . . 0.0 108.671 176.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 107' ' ' ARG . 0.0 OUTLIER -120.09 138.15 53.72 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 121.912 -0.493 . . . . 0.0 111.06 -172.196 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -142.61 133.17 25.14 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 175.212 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.317 -0.826 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.846 -174.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.455 ' NH2' ' HA2' ' A' ' 12' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.2 0 CA-C-O 120.324 0.107 . . . . 0.0 110.787 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.431 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 53.3 t -75.17 121.63 22.4 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 175.391 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.64 -4.22 58.89 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.364 178.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.997 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -78.64 -47.22 8.08 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.261 178.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.1 p -107.35 -101.19 0.36 Allowed 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.239 176.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.455 ' HA2' ' NH2' ' A' ' 7' ' ' ARG . . . -174.87 29.53 0.08 OUTLIER Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.784 178.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -143.47 -148.87 4.99 Favored Glycine 0 N--CA 1.436 -1.365 0 C-N-CA 120.304 -0.95 . . . . 0.0 111.808 178.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.2 mtpp -100.8 163.24 12.41 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 175.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.574 HG23 ' CD2' ' A' ' 29' ' ' HIS . 3.4 mt -96.63 111.98 27.8 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-O 121.041 0.448 . . . . 0.0 111.668 -174.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.39 -16.75 47.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.439 178.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.77 142.64 57.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.171 177.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -74.76 -38.24 62.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.967 177.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -97.55 92.04 5.73 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.499 178.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.59 -173.2 2.34 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.482 -176.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.518 HD21 ' HA ' ' A' ' 105' ' ' ILE . 0.2 OUTLIER -146.58 144.56 29.65 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.012 -178.297 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.647 ' O ' ' HB ' ' A' ' 106' ' ' THR . 2.3 m-85 -107.64 118.29 36.33 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 175.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.683 ' HB3' ' CD1' ' A' ' 28' ' ' TRP . . . -152.08 134.22 15.07 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.277 -0.569 . . . . 0.0 111.19 176.552 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.7 mtm 63.8 32.31 13.58 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.035 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 65.72 16.57 10.55 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.869 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.37 -177.86 4.59 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.473 -0.785 . . . . 0.0 108.934 176.044 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.554 ' HB3' ' CD1' ' A' ' 15' ' ' ILE . 13.4 m-30 -107.98 161.31 15.06 Favored 'General case' 0 C--N 1.311 -1.071 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.665 -177.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.683 ' CD1' ' HB3' ' A' ' 23' ' ' ALA . 81.0 m95 -142.71 132.36 23.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.442 -179.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.651 ' HB2' ' HB2' ' A' ' 32' ' ' CYS . 2.6 m80 -74.32 177.47 5.85 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.22 178.623 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.0 m -66.69 -40.63 88.62 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.555 175.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.683 ' HA ' ' NE2' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -96.86 -14.24 21.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.398 179.876 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.997 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 58.3 m -79.34 -36.89 38.72 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 121.177 -0.209 . . . . 0.0 110.643 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.651 ' HB2' ' HB3' ' A' ' 28' ' ' TRP . 8.1 tp -81.59 83.66 6.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.558 0.694 . . . . 0.0 109.587 172.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.14 156.26 48.61 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.382 -179.406 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 15.9 t -60.09 136.42 58.01 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.942 177.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 m -83.27 -0.77 51.07 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 175.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.56 -54.76 2.51 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.733 -177.34 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.417 ' SG ' ' HB2' ' A' ' 40' ' ' ALA . 17.3 p -113.74 -1.2 14.02 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.418 -0.513 . . . . 0.0 111.776 -177.11 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 73.9 mm-40 67.06 21.04 10.29 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.369 0.667 . . . . 0.0 112.035 178.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.417 ' HB2' ' SG ' ' A' ' 38' ' ' CYS . . . -58.17 126.46 27.61 Favored 'General case' 0 N--CA 1.446 -0.675 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 175.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.683 ' NE2' ' HA ' ' A' ' 31' ' ' ARG . 3.1 tp60 -72.07 74.73 0.93 Allowed 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 114.909 -1.042 . . . . 0.0 110.863 -175.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.531 HD21 ' HA ' ' A' ' 58' ' ' CYS . 96.3 mt -51.83 -43.34 63.13 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.535 -1.211 . . . . 0.0 112.309 -176.209 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -94.15 44.18 2.34 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.987 -179.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -156.29 -52.31 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.798 0.299 . . . . 0.0 111.703 178.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 pt -90.05 50.72 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-O 121.364 0.602 . . . . 0.0 111.199 -178.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 115.82 -158.13 14.6 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 -177.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.72 HG22 HG21 ' A' ' 105' ' ' ILE . 0.7 OUTLIER -136.32 103.92 5.45 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 117.339 0.57 . . . . 0.0 111.196 177.336 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.602 ' HB3' ' HG2' ' A' ' 102' ' ' GLU . 0.8 OUTLIER -160.27 150.78 18.52 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.6 177.816 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.594 ' OG ' HG13 ' A' ' 105' ' ' ILE . 17.1 p -174.99 151.7 1.38 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.86 0.362 . . . . 0.0 110.424 176.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -141.93 148.39 38.59 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.276 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.4 m -137.86 111.01 7.83 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.079 0.466 . . . . 0.0 111.019 -179.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.491 ' O ' ' HG2' ' A' ' 55' ' ' MET . 5.2 mttt -155.11 151.56 28.45 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 177.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.422 ' HB2' ' O ' ' A' ' 52' ' ' LYS . 10.0 m 67.15 12.44 8.95 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.356 0.41 . . . . 0.0 111.534 -177.435 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 81.83 3.1 90.69 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.095 -177.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.491 ' HG2' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -114.94 165.36 12.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.395 0.617 . . . . 0.0 110.425 177.573 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.1 mp -112.12 135.91 49.96 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.624 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.598 HD11 ' HE2' ' A' ' 66' ' ' PHE . 0.7 OUTLIER -128.65 168.98 15.0 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.249 -175.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.811 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 7.6 p -87.55 -174.22 4.7 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.141 172.384 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.509 ' O ' HG12 ' A' ' 63' ' ' ILE . 0.1 OUTLIER -68.09 -43.57 78.2 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 173.858 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -66.83 -47.91 70.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.578 -179.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.811 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 1.4 m-20 -69.07 -28.89 66.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.405 -175.176 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.589 ' HD2' HD13 ' A' ' 63' ' ' ILE . 77.3 t80 -62.48 -53.2 58.39 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.939 178.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.589 HD13 ' HD2' ' A' ' 62' ' ' TYR . 0.2 OUTLIER -67.28 -29.07 44.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.96 0.41 . . . . 0.0 110.444 -177.577 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -70.81 -45.46 64.58 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.745 177.266 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.14 -60.96 1.99 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.736 -177.061 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.598 ' HE2' HD11 ' A' ' 57' ' ' LEU . 22.6 m-85 -108.84 -41.04 4.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.613 -173.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.573 0 C-N-CA 120.264 -0.969 . . . . 0.0 112.521 179.407 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.602 ' HG2' ' HB3' ' A' ' 48' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.227 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.38 23.73 0.16 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.141 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.481 ' HB3' ' OG ' ' A' ' 49' ' ' SER . 0.4 OUTLIER -112.48 -36.6 5.2 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 -177.342 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.72 HG21 HG22 ' A' ' 47' ' ' THR . 2.0 mt -70.52 119.61 16.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.353 0.597 . . . . 0.0 111.17 -178.408 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.647 ' HB ' ' O ' ' A' ' 22' ' ' TYR . 47.6 m -111.14 90.06 3.23 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 173.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.46 118.84 17.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.145 -172.439 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -144.88 124.92 13.56 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.946 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.319 -0.725 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 177.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.796 0 N-CA-C 111.941 -0.464 . . . . 0.0 111.941 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.45 -31.76 72.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.017 0.437 . . . . 0.0 109.897 175.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -131.02 -167.11 1.79 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.458 172.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.48 155.9 31.4 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 177.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.518 ' HH2' ' HB2' ' A' ' 117' ' ' ASN . 0.7 OUTLIER -66.24 144.73 56.43 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.113 0.482 . . . . 0.0 111.085 -179.489 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.755 ' HB2' ' HA ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -116.39 2.92 13.25 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.307 -176.823 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.64 154.29 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.884 0 O-C-N 124.6 1.187 . . . . 0.0 113.495 174.116 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.661 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 37.1 t -78.99 117.55 20.16 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.865 173.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.32 0.17 42.88 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.155 176.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.768 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -85.53 -47.68 5.04 Favored Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.566 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.9 p -116.61 -121.39 0.3 Allowed 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.84 -178.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -75.3 -63.54 2.48 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 121.308 -0.472 . . . . 0.0 113.371 -174.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 171.62 -76.43 0.1 OUTLIER Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.812 -178.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.86 127.17 31.49 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.89 0.376 . . . . 0.0 110.82 -178.105 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.493 HD11 ' HB2' ' A' ' 8' ' ' CYS . 4.3 mt -100.41 94.05 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.519 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.97 25.45 4.75 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.339 0.59 . . . . 0.0 109.971 177.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.564 ' HB2' ' HE2' ' A' ' 29' ' ' HIS . 0.9 OUTLIER -101.19 169.19 9.08 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.833 -178.182 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.838 ' HG2' ' HA ' ' A' ' 110' ' ' ASN . 0.3 OUTLIER -87.2 -29.58 21.64 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.895 176.239 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.549 ' CD1' ' HB3' ' A' ' 109' ' ' GLU . 7.6 m-30 -93.93 93.71 8.06 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.957 -177.015 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -119.38 153.18 35.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.977 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.792 HD21 HG23 ' A' ' 105' ' ' ILE . 0.4 OUTLIER -137.18 151.32 48.66 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.407 -0.815 . . . . 0.0 108.954 177.692 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.611 ' CD2' ' HE1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -109.06 127.38 54.07 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 176.07 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.568 ' HB3' ' CD1' ' A' ' 28' ' ' TRP . . . -153.62 140.4 19.06 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.866 174.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 27.1 mtp 64.64 25.52 13.11 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.556 0.535 . . . . 0.0 111.395 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.472 ' O ' ' HD2' ' A' ' 6' ' ' LYS . 1.0 OUTLIER 69.12 12.08 8.43 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 121.08 0.467 . . . . 0.0 110.85 -176.69 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.755 ' HA ' ' HB2' ' A' ' 6' ' ' LYS . 0.5 OUTLIER -117.5 -176.81 3.09 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 174.136 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.661 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 18.2 m-30 -110.72 160.73 16.45 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 175.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.568 ' CD1' ' HB3' ' A' ' 23' ' ' ALA . 73.8 m95 -147.54 167.49 24.36 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.727 ' H ' ' HB2' ' A' ' 32' ' ' CYS . 18.1 m80 -100.13 166.26 11.1 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 169.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.17 -43.75 78.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.614 0.245 . . . . 0.0 111.56 -177.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.9 mtp180 -100.49 -1.64 35.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.475 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.768 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 7.8 m -80.65 -44.29 19.07 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 174.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.545 ' HA ' ' CE3' ' A' ' 28' ' ' TRP . 22.0 tp -60.5 -72.98 0.1 Allowed 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.557 177.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.31 166.66 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 122.631 1.205 . . . . 0.0 113.633 171.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.5 ' HB2' ' N ' ' A' ' 39' ' ' GLN . 1.7 m -75.22 -172.26 1.66 Allowed 'General case' 0 N--CA 1.437 -1.101 0 CA-C-N 113.269 -1.787 . . . . 0.0 111.745 -175.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.2 m -99.4 -55.0 2.8 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.83 170.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 m -101.82 -49.32 4.01 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -177.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.77 -35.81 79.36 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -175.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.5 ' N ' ' HB2' ' A' ' 35' ' ' CYS . 4.4 mm-40 61.45 45.98 7.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.538 -175.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.07 -161.31 0.86 Allowed 'General case' 0 N--CA 1.442 -0.838 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.526 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -101.09 99.97 10.48 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.237 178.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.501 HD23 HD11 ' A' ' 105' ' ' ILE . 0.9 OUTLIER -54.82 -35.97 64.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.686 -178.045 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -82.78 1.05 89.02 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.804 -0.712 . . . . 0.0 113.58 -178.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -107.26 -19.48 13.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 117.263 0.531 . . . . 0.0 111.423 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 pt -84.55 -0.8 6.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.174 0.512 . . . . 0.0 110.792 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.729 ' HA3' ' HA ' ' A' ' 83' ' ' ASP . . . 121.71 178.74 15.84 Favored Glycine 0 N--CA 1.443 -0.844 0 N-CA-C 110.184 -1.167 . . . . 0.0 110.184 -174.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.29 99.09 11.38 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 117.965 0.882 . . . . 0.0 110.278 179.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 m -163.27 148.03 11.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.078 176.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.516 ' O ' ' HA ' ' A' ' 102' ' ' GLU . 0.1 OUTLIER -157.79 130.78 7.51 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.355 178.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -115.04 127.45 55.65 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 120.962 0.41 . . . . 0.0 110.4 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.0 m -116.84 109.27 16.87 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.702 -178.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -151.46 144.34 24.47 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.0 m 65.5 19.81 11.59 Favored 'General case' 0 N--CA 1.464 0.231 0 O-C-N 123.416 0.448 . . . . 0.0 110.92 -175.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.45 14.11 77.33 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.623 -175.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 52.8 mtm -104.28 165.2 11.21 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.864 0.364 . . . . 0.0 110.676 -178.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.529 HG21 HD11 ' A' ' 33' ' ' LEU . 3.0 mp -119.55 117.05 52.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.69 175.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.647 ' HB3' ' HB3' ' A' ' 61' ' ' ASP . 1.5 mp -124.89 150.39 46.56 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.454 -174.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 24.1 p -79.93 -173.54 3.95 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.021 171.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.524 ' O ' HG12 ' A' ' 63' ' ' ILE . 0.8 OUTLIER -67.3 -44.95 77.95 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.719 0.295 . . . . 0.0 110.93 177.564 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -66.64 -44.0 83.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.859 178.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.647 ' HB3' ' HB3' ' A' ' 57' ' ' LEU . 1.1 m-20 -56.34 -43.63 79.26 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.359 0.599 . . . . 0.0 110.079 177.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -60.18 -48.26 82.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.296 -178.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.524 HG12 ' O ' ' A' ' 59' ' ' ARG . 44.6 mm -62.3 -28.91 45.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.022 0.439 . . . . 0.0 111.097 -179.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 81.8 mtt180 -79.38 -38.28 35.35 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.321 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' A' ' 65' ' ' LEU . 0.3 OUTLIER -84.82 -60.5 2.03 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -177.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -119.9 39.98 3.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.995 0.426 . . . . 0.0 110.64 -176.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.409 ' HA3' ' O ' ' A' ' 63' ' ' ILE . . . -81.14 69.56 3.24 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.819 -177.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.89 137.13 56.97 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 176.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -63.68 97.72 0.16 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.074 0.464 . . . . 0.0 111.509 -175.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -118.33 44.09 1.48 Allowed Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 111.429 -0.669 . . . . 0.0 111.429 178.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -133.1 104.77 6.68 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.773 0.32 . . . . 0.0 110.393 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 139.48 -36.59 1.83 Allowed Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.835 -0.698 . . . . 0.0 111.621 -177.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -111.94 25.37 13.04 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 176.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -112.74 100.51 8.75 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.312 -0.444 . . . . 0.0 110.74 -175.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -77.91 -40.87 20.14 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.422 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -112.35 -124.34 4.33 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.997 -0.62 . . . . 0.0 111.806 176.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 55.84 44.6 25.71 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.11 0.481 . . . . 0.0 111.542 177.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.46 ' SD ' ' HG3' ' A' ' 93' ' ' MET . 0.0 OUTLIER -121.16 166.9 13.29 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.597 178.889 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 99.61 -26.29 24.96 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.426 -177.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.48 154.04 40.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.63 -0.285 . . . . 0.0 110.396 176.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 97.73 89.55 1.9 Allowed Glycine 0 N--CA 1.442 -0.915 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -175.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -86.84 3.89 86.68 Favored Glycine 0 CA--C 1.508 -0.349 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.729 ' HA ' ' HA3' ' A' ' 46' ' ' GLY . 3.4 p30 -67.61 168.05 11.87 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.788 -0.706 . . . . 0.0 111.225 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.565 ' HA ' ' HA3' ' A' ' 88' ' ' GLY . 1.0 OUTLIER -119.26 32.4 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.436 174.223 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -109.18 -40.97 4.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.786 -177.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.4 p -121.99 -34.7 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.876 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -108.3 7.39 9.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.765 0.317 . . . . 0.0 111.178 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.565 ' HA3' ' HA ' ' A' ' 84' ' ' VAL . . . -71.17 -43.33 56.3 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.624 -0.798 . . . . 0.0 111.767 178.026 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.12 139.76 34.43 Favored Pre-proline 0 C--N 1.32 -0.708 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 176.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -56.59 102.75 0.11 Allowed 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.705 2.27 . . . . 0.0 112.657 -177.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.41 -47.76 2.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.299 178.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.435 HD12 ' HG2' ' A' ' 96' ' ' GLU . 0.3 OUTLIER -156.45 96.41 1.66 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.328 176.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.46 ' HG3' ' SD ' ' A' ' 78' ' ' MET . 0.2 OUTLIER -88.71 46.03 1.35 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.144 178.712 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -99.48 2.35 57.45 Favored Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.275 -177.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 70.55 52.35 16.69 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.285 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.435 ' HG2' HD12 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -81.18 90.35 6.06 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.047 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 58.3 57.51 3.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.533 0.683 . . . . 0.0 110.511 -174.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -87.94 61.62 4.02 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.254 177.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -69.71 128.22 35.67 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.016 0.436 . . . . 0.0 111.458 -174.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.85 17.83 4.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.781 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -75.81 -4.73 42.26 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.543 178.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.516 ' HA ' ' O ' ' A' ' 49' ' ' SER . 0.6 OUTLIER -85.89 -139.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.378 -179.067 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.506 ' HD3' ' HA ' ' A' ' 103' ' ' ARG . 0.0 OUTLIER 59.26 46.2 13.14 Favored 'General case' 0 N--CA 1.462 0.13 0 C-N-CA 122.976 0.51 . . . . 0.0 111.565 178.442 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -111.53 -5.05 14.6 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.792 HG23 HD21 ' A' ' 21' ' ' LEU . 8.3 mt -92.66 124.79 45.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-O 121.435 0.636 . . . . 0.0 111.779 -177.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.566 HG22 ' CE2' ' A' ' 113' ' ' PHE . 0.2 OUTLIER -121.57 115.1 22.17 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.687 -1.142 . . . . 0.0 108.0 171.586 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.1 120.92 19.64 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -169.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.642 ' HB2' ' CD2' ' A' ' 113' ' ' PHE . 0.1 OUTLIER -146.42 101.73 3.51 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 164.016 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.549 ' HB3' ' CD1' ' A' ' 19' ' ' PHE . 40.8 mt-10 -88.13 81.28 7.42 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.558 0.694 . . . . 0.0 110.889 -172.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.888 ' HB3' ' HG2' ' A' ' 112' ' ' GLN . 31.0 t-20 177.29 -169.48 0.07 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.266 -1.334 . . . . 0.0 107.745 177.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.507 HG22 ' HB2' ' A' ' 116' ' ' ALA . 0.0 OUTLIER -74.04 12.2 0.75 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.081 0.467 . . . . 0.0 111.15 175.784 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.888 ' HG2' ' HB3' ' A' ' 110' ' ' ASN . 8.1 mm100 -71.63 -47.92 51.32 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.949 177.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.642 ' CD2' ' HB2' ' A' ' 108' ' ' LEU . 0.0 OUTLIER -101.25 -161.19 0.84 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.245 177.685 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -78.36 44.69 0.52 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -176.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -96.05 11.29 34.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.477 0.656 . . . . 0.0 109.533 174.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.507 ' HB2' HG22 ' A' ' 111' ' ' THR . . . -100.48 87.95 3.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.843 -178.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.518 ' HB2' ' HH2' ' A' ' 5' ' ' TRP . 11.7 t30 -78.58 -41.18 32.55 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 176.163 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -177.4 148.66 8.91 Favored Glycine 0 N--CA 1.442 -0.964 0 CA-C-N 114.814 -1.084 . . . . 0.0 111.268 177.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 13.9 mt -106.78 91.61 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -133.19 130.15 38.73 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.395 -177.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.59 179.94 7.01 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.157 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.747 -0.644 . . . . 0.0 110.777 -177.465 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.627 0 N-CA-C 111.748 -0.541 . . . . 0.0 111.748 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 m 60.35 84.93 0.12 Allowed 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.195 0.522 . . . . 0.0 111.119 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -84.41 -8.7 58.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.392 178.494 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.78 145.28 34.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.105 176.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.403 ' HZ3' ' HG2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -102.87 155.97 17.98 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.929 0.395 . . . . 0.0 111.195 -178.547 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.977 ' HA ' ' HD2' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -74.73 78.46 2.05 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.584 -177.013 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.511 ' NH2' ' HA2' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -123.11 134.6 54.22 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.593 175.598 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 17.8 t -86.21 132.18 34.06 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.993 -174.36 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.07 1.27 57.21 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.243 177.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.525 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -85.5 -58.81 2.0 Allowed Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 121.024 -0.608 . . . . 0.0 112.357 -179.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.9 p -95.24 -42.34 8.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.942 0.401 . . . . 0.0 110.46 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.511 ' HA2' ' NH2' ' A' ' 7' ' ' ARG . . . 122.27 11.39 5.69 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.37 -0.919 . . . . 0.0 113.827 174.011 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.35 -155.09 17.74 Favored Glycine 0 N--CA 1.434 -1.466 0 C-N-CA 120.143 -1.027 . . . . 0.0 111.934 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 7' ' ' ARG . 0.6 OUTLIER -102.27 151.64 21.99 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 114.977 -0.611 . . . . 0.0 109.767 176.318 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.778 ' HB ' ' HG2' ' A' ' 6' ' ' LYS . 1.5 mt -99.52 100.0 9.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.062 0.458 . . . . 0.0 110.833 179.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -97.22 -7.05 33.24 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.603 0.716 . . . . 0.0 109.546 177.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.15 146.04 53.79 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.834 -1.075 . . . . 0.0 110.557 179.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -68.35 -31.0 70.09 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.116 0.484 . . . . 0.0 110.621 -179.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.5 ' HA ' ' HB3' ' A' ' 109' ' ' GLU . 11.3 m-30 -104.37 128.44 52.21 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.778 -179.511 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.722 ' HG ' ' HE3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -156.07 175.59 13.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.777 0.322 . . . . 0.0 111.437 -178.616 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.758 HD21 HG23 ' A' ' 105' ' ' ILE . 0.3 OUTLIER -129.73 159.51 36.25 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.534 -178.679 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.46 ' HD2' ' CD1' ' A' ' 27' ' ' TYR . 4.3 m-85 -127.57 126.58 42.38 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 177.073 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -152.28 125.65 8.76 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.884 -0.327 . . . . 0.0 111.258 -178.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.436 ' HG2' HD21 ' A' ' 104' ' ' LEU . 0.1 OUTLIER 63.29 37.4 11.07 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.178 179.432 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.52 4.61 1.83 Allowed 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.195 -178.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -108.36 146.13 33.46 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 173.017 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.977 ' HD2' ' HA ' ' A' ' 6' ' ' LYS . 11.3 m-30 -93.37 156.13 16.97 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -178.161 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.466 ' CE3' HD23 ' A' ' 33' ' ' LEU . 67.9 m95 -141.57 162.61 35.06 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.21 -172.126 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.701 ' HB2' ' HB2' ' A' ' 32' ' ' CYS . 15.1 m80 -88.28 159.1 18.25 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 107.921 -1.141 . . . . 0.0 107.921 167.632 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.45 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 0.5 OUTLIER -60.66 -49.88 75.75 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.864 0.364 . . . . 0.0 110.492 179.424 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 ttp85 -76.72 -19.55 57.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.366 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.701 ' HB2' ' HB2' ' A' ' 29' ' ' HIS . 23.7 m -78.81 -27.81 44.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.742 179.368 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.466 HD23 ' CE3' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -82.32 72.03 9.38 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.657 0.742 . . . . 0.0 109.712 175.408 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.547 ' HG3' ' HA ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -119.33 167.91 11.44 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.213 -176.885 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.542 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 35.9 t -67.85 142.02 56.26 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.862 175.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.9 m -73.26 -10.67 60.01 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.098 0.475 . . . . 0.0 110.519 177.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.37 -46.77 3.05 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.188 -179.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.542 ' HB2' ' HB3' ' A' ' 35' ' ' CYS . 75.7 m -80.61 -33.17 36.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.394 -178.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.547 ' HA ' ' HG3' ' A' ' 34' ' ' LYS . 70.8 mm-40 64.74 20.44 12.13 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.183 -174.126 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -99.79 134.22 43.01 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.276 177.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.679 ' HB3' ' HB2' ' A' ' 44' ' ' ASP . 8.0 tt0 -53.23 123.7 12.54 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.784 -177.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.714 ' HB3' HD11 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -71.53 -29.63 64.99 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.35 -179.236 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.52 -0.65 87.69 Favored Glycine 0 CA--C 1.519 0.323 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.382 176.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.679 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . 22.8 t70 -87.06 -16.08 36.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.276 0.56 . . . . 0.0 110.246 179.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 11.8 pt -105.81 11.24 8.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.399 0.618 . . . . 0.0 110.413 178.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.35 -147.27 17.87 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 110.801 -0.92 . . . . 0.0 110.801 -176.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.17 100.79 10.37 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 117.149 0.475 . . . . 0.0 110.1 175.073 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.598 ' H ' HD12 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -162.71 140.74 8.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.524 178.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 31.3 p -175.34 147.51 0.88 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.877 0.37 . . . . 0.0 111.134 176.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.422 ' HE2' ' HD3' ' A' ' 59' ' ' ARG . 10.8 m-85 -116.31 141.84 47.63 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.428 173.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.467 HG23 HG13 ' A' ' 56' ' ' ILE . 6.9 m -137.2 102.22 4.76 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.133 0.492 . . . . 0.0 110.722 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.1 mmtm -141.74 136.21 30.54 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.368 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.7 m 70.92 13.3 7.05 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 123.345 0.403 . . . . 0.0 110.701 -174.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 78.7 -0.52 76.72 Favored Glycine 0 N--CA 1.45 -0.393 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -171.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.32 121.47 30.76 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.214 -0.493 . . . . 0.0 109.941 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.467 HG13 HG23 ' A' ' 51' ' ' THR . 3.2 mp -97.4 113.53 32.1 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.793 178.282 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.27 175.25 7.18 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.689 -177.213 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.748 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 12.3 p -81.91 177.05 9.07 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.569 174.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.422 ' HD3' ' HE2' ' A' ' 50' ' ' TYR . 0.4 OUTLIER -67.29 -37.93 84.22 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.307 0.575 . . . . 0.0 110.007 177.635 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.93 -44.71 65.57 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.209 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.748 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 3.4 m-20 -69.04 -29.15 67.24 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.744 0.275 . . . . 0.0 111.744 -175.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.454 ' HD2' HD13 ' A' ' 63' ' ' ILE . 66.6 t80 -61.83 -40.9 96.9 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.456 179.136 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.454 HD13 ' HD2' ' A' ' 62' ' ' TYR . 3.9 mm -73.39 -17.1 17.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.223 0.535 . . . . 0.0 110.79 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -88.91 -35.87 16.25 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.663 178.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' ' 65' ' ' LEU . 5.4 tp -91.42 -41.35 10.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.932 -176.123 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -108.56 -42.94 4.41 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.775 0.322 . . . . 0.0 110.445 -178.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 64.29 -124.18 29.26 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 121.107 -0.568 . . . . 0.0 112.514 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 72.9 -57.39 0.63 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.611 0.765 . . . . 0.0 111.783 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.537 ' HB3' ' HB3' ' A' ' 96' ' ' GLU . 4.1 m -115.68 122.7 46.33 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.852 0.358 . . . . 0.0 111.218 -177.255 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -118.96 -8.1 9.87 Favored Glycine 0 N--CA 1.45 -0.418 0 N-CA-C 111.647 -0.581 . . . . 0.0 111.647 178.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 62.2 81.62 0.19 Allowed 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.441 0.696 . . . . 0.0 111.415 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 97.71 -91.24 1.16 Allowed Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 -177.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -110.19 155.77 15.93 Favored Glycine 0 N--CA 1.444 -0.773 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 171.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.04 -53.09 2.49 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 117.14 0.47 . . . . 0.0 110.951 -178.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.91 -48.9 58.24 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.736 -178.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -78.5 -8.93 87.42 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.437 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -85.78 -7.92 58.45 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.493 0.187 . . . . 0.0 110.568 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.4 ttt 60.95 36.82 18.62 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.953 -177.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 102.65 -105.23 2.72 Favored Glycine 0 N--CA 1.445 -0.762 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.319 -174.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.88 -28.73 5.49 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.95 0.405 . . . . 0.0 110.503 177.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 104.53 10.1 34.14 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 111.467 -0.653 . . . . 0.0 111.467 -177.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 95.38 -163.45 24.01 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 111.535 -0.626 . . . . 0.0 111.535 -177.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.45 133.46 35.88 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.855 0.359 . . . . 0.0 110.06 178.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 6.3 m -71.62 -18.85 20.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.173 -175.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 3.3 ttm -73.6 -30.34 62.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.831 0.348 . . . . 0.0 110.74 -179.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -76.01 -27.06 17.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.919 0.39 . . . . 0.0 110.305 178.14 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 18.9 t -81.95 -49.93 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.348 178.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 124.58 162.24 11.33 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 -177.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 58.01 77.06 0.42 Allowed Pre-proline 0 CA--C 1.53 0.205 0 CA-C-O 121.077 0.465 . . . . 0.0 111.08 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -81.37 31.49 0.51 Allowed 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 123.235 2.623 . . . . 0.0 111.993 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.35 85.38 7.39 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.941 -178.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.663 HD22 ' HA2' ' A' ' 98' ' ' GLY . 1.2 mt -85.94 149.3 25.29 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.078 178.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.47 46.47 2.13 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.21 0.528 . . . . 0.0 109.656 -179.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 81.4 -129.29 8.94 Favored Glycine 0 N--CA 1.443 -0.879 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.501 -176.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 93.02 -173.53 34.76 Favored Glycine 0 N--CA 1.442 -0.962 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.73 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.537 ' HB3' ' HB3' ' A' ' 69' ' ' SER . 18.0 mt-10 -59.68 -42.14 92.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.981 0.42 . . . . 0.0 110.648 -179.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.51 ' HD1' ' HA ' ' A' ' 97' ' ' PHE . 0.0 OUTLIER -145.03 111.15 5.54 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.469 177.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.663 ' HA2' HD22 ' A' ' 92' ' ' LEU . . . -102.68 43.91 1.6 Allowed Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 177.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 68.42 28.55 6.05 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 123.259 0.624 . . . . 0.0 110.612 -178.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -59.26 -45.77 90.32 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.747 -177.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.8 9.11 44.12 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.999 0.428 . . . . 0.0 110.881 -177.12 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.7 -172.16 2.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.486 -178.087 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 103' ' ' ARG . 0.0 OUTLIER 60.28 44.49 12.46 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.385 179.045 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.436 HD21 ' HG2' ' A' ' 24' ' ' MET . 0.1 OUTLIER -88.34 -16.27 33.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.793 -178.284 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.758 HG23 HD21 ' A' ' 21' ' ' LEU . 11.3 mt -72.04 122.01 23.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.109 0.48 . . . . 0.0 111.074 -179.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 97.9 m -118.69 103.74 9.96 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 172.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.42 ' HD3' ' O ' ' A' ' 107' ' ' ARG . 0.0 OUTLIER -119.71 120.92 38.01 Favored 'General case' 0 C--N 1.319 -0.759 0 O-C-N 121.527 -0.733 . . . . 0.0 111.308 -174.042 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.502 ' HA ' HD13 ' A' ' 108' ' ' LEU . 0.1 OUTLIER -145.77 101.28 3.53 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.148 174.337 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.735 ' HB2' ' HB2' ' A' ' 112' ' ' GLN . 2.0 mp0 -88.21 154.94 20.03 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.148 -178.029 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -61.02 112.03 1.92 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.872 -176.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 58.27 43.89 19.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.703 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.735 ' HB2' ' HB2' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -116.4 11.4 14.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.198 178.208 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -58.87 -45.29 90.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.79 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -55.79 -39.37 71.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.727 -177.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -87.29 -30.62 20.74 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.837 -178.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -78.09 64.86 3.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.955 0.407 . . . . 0.0 110.899 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 75.6 -3.79 2.51 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.525 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 73.6 -79.37 0.82 Allowed Glycine 0 C--N 1.333 0.371 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 -178.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -125.77 106.38 16.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 170.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -60.1 -42.53 94.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.287 -172.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -128.43 -68.82 0.74 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.136 -0.483 . . . . 0.0 109.882 176.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 117.469 -1.253 . . . . 0.0 107.897 177.116 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.752 0 N-CA-C 111.714 -0.554 . . . . 0.0 111.714 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.69 -58.15 3.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.995 0.426 . . . . 0.0 110.415 179.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.86 128.26 24.36 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.519 177.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.27 113.81 18.72 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 177.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -76.75 151.79 35.89 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.299 0.571 . . . . 0.0 111.645 -174.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.447 ' HG2' ' H ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -72.37 -44.36 62.67 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.474 179.858 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.604 ' HG2' ' N ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER 66.78 156.76 0.11 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.764 -1.107 . . . . 0.0 111.035 176.848 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.744 ' HB2' HG12 ' A' ' 15' ' ' ILE . 43.9 t -67.23 121.19 15.12 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 120.929 0.395 . . . . 0.0 111.625 -175.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.09 -5.96 59.33 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.286 174.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.904 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -74.24 -45.83 23.48 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.254 179.013 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.3 p -112.35 -88.26 0.54 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 176.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 165.13 69.92 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.679 0 N-CA-C 111.482 -0.647 . . . . 0.0 111.482 178.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 178.58 143.43 5.22 Favored Glycine 0 N--CA 1.432 -1.571 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 -177.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -59.45 122.04 13.0 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.744 HG12 ' HB2' ' A' ' 8' ' ' CYS . 3.1 mt -67.05 116.75 6.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.906 -177.166 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.55 20.1 8.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.258 0.552 . . . . 0.0 110.453 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -100.2 148.68 24.36 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.559 177.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.687 ' HB2' ' HB3' ' A' ' 110' ' ' ASN . 0.1 OUTLIER -91.77 2.79 56.26 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.383 0.611 . . . . 0.0 110.071 178.914 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -123.79 87.56 2.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.312 175.191 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.529 ' H ' HD12 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -105.77 157.95 17.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.284 0.564 . . . . 0.0 111.483 -176.906 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.657 HD21 HG23 ' A' ' 105' ' ' ILE . 0.4 OUTLIER -97.43 152.94 18.45 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.804 -1.089 . . . . 0.0 108.121 171.308 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.563 ' HD2' ' CE1' ' A' ' 27' ' ' TYR . 1.1 m-85 -129.35 126.31 38.63 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.412 ' HB1' ' CD1' ' A' ' 104' ' ' LEU . . . -152.84 118.6 5.37 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.936 -178.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 2.4 mtp 60.05 52.64 5.02 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.199 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 74.38 -40.64 0.45 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.829 0.851 . . . . 0.0 112.677 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.76 156.95 27.24 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.029 0.442 . . . . 0.0 110.372 -178.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.675 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 9.5 m-30 -100.69 157.47 16.66 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.525 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 30.1 m95 -137.0 162.41 33.39 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 -174.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.593 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 16.5 m80 -81.53 155.02 25.96 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 168.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -27.79 69.21 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.98 0.419 . . . . 0.0 110.484 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.62 1.86 41.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.334 178.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.904 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 1.8 m -94.31 -30.18 14.66 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 122.231 -0.293 . . . . 0.0 110.882 -179.308 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.514 HD22 HD22 ' A' ' 21' ' ' LEU . 16.2 tp -82.92 82.3 8.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.25 0.548 . . . . 0.0 109.971 175.003 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.84 ' HG3' ' HA ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -134.26 168.65 18.49 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.088 -175.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.684 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 38.3 t -65.13 145.89 55.7 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.286 177.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.95 -17.16 61.05 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.028 0.442 . . . . 0.0 110.466 177.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -111.06 -42.73 3.89 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.317 -179.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.684 ' HB2' ' HB3' ' A' ' 35' ' ' CYS . 86.4 m -76.65 -51.44 11.54 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.08 178.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.84 ' HA ' ' HG3' ' A' ' 34' ' ' LYS . 0.0 OUTLIER 64.56 29.91 12.99 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.594 -176.315 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.17 -155.24 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.652 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.454 ' HB3' ' HB2' ' A' ' 44' ' ' ASP . 16.1 tp60 -96.16 99.85 11.55 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.405 179.459 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -73.29 -3.83 29.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.311 -178.268 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.91 21.74 7.82 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.272 179.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.454 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . 16.1 t70 -105.57 -50.69 3.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.116 0.484 . . . . 0.0 110.959 -179.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -94.9 52.78 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.54 -179.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 94.5 118.46 3.04 Favored Glycine 0 N--CA 1.446 -0.67 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 -174.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.429 HG22 HD12 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -78.98 100.93 7.51 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 122.414 -0.462 . . . . 0.0 110.816 -174.37 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.9 m -162.02 111.42 1.5 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.314 177.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.488 ' O ' ' HA ' ' A' ' 102' ' ' GLU . 3.1 p -113.1 159.95 18.69 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 176.254 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.636 ' HE2' ' HD3' ' A' ' 59' ' ' ARG . 6.0 m-85 -116.02 118.89 34.15 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.619 0.247 . . . . 0.0 110.764 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.52 ' OG1' HD22 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -90.86 101.71 14.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.734 178.558 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.488 ' HG2' ' O ' ' A' ' 51' ' ' THR . 9.2 mmtm -150.72 141.75 23.02 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 178.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.8 m 61.97 26.92 16.3 Favored 'General case' 0 C--N 1.332 -0.188 0 O-C-N 123.506 0.504 . . . . 0.0 111.533 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.24 18.56 65.25 Favored Glycine 0 CA--C 1.518 0.221 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.073 -178.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.444 ' HG2' ' O ' ' A' ' 52' ' ' LYS . 1.6 ptt? -129.89 170.5 13.83 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -179.284 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.413 ' O ' ' HA ' ' A' ' 35' ' ' CYS . 16.3 mm -120.82 122.44 67.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.396 -178.325 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 mp -122.1 165.2 16.45 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.611 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.652 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 30.5 p -83.29 175.45 9.89 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 172.334 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.636 ' HD3' ' HE2' ' A' ' 50' ' ' TYR . 6.7 tpp180 -63.8 -43.66 95.64 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.547 177.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -62.72 -47.51 83.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.03 0.443 . . . . 0.0 111.253 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.652 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 0.8 OUTLIER -70.47 -32.63 70.24 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.716 -178.681 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -63.92 -45.15 90.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.505 175.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.553 HG12 ' O ' ' A' ' 59' ' ' ARG . 3.5 mm -61.03 -38.42 79.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.166 0.508 . . . . 0.0 110.806 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.502 ' NH1' ' HA ' ' A' ' 61' ' ' ASP . 1.7 mtp-105 -80.5 -0.48 37.67 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.52 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.54 -70.28 0.81 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.81 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -115.93 -21.69 9.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.782 0.325 . . . . 0.0 111.479 -177.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -84.17 45.4 3.48 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.925 -176.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.698 ' HB3' ' HA ' ' A' ' 78' ' ' MET . 24.6 t-20 -73.54 129.95 39.06 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 176.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 1.025 ' HA ' ' HA3' ' A' ' 81' ' ' GLY . 1.5 m -73.81 70.7 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.516 0.675 . . . . 0.0 111.244 -177.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -153.97 95.77 0.16 Allowed Glycine 0 N--CA 1.442 -0.962 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.401 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -76.72 74.81 3.38 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.046 0.45 . . . . 0.0 110.684 -178.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 159.43 -148.89 18.29 Favored Glycine 0 N--CA 1.445 -0.757 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.483 -177.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -134.08 42.29 1.38 Allowed Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.135 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.37 -38.74 65.58 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.982 0.42 . . . . 0.0 111.077 -178.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -97.67 -128.07 5.89 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.078 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -111.86 -91.37 2.01 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.289 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -90.96 68.67 6.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.02 0.438 . . . . 0.0 110.596 178.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.698 ' HA ' ' HB3' ' A' ' 68' ' ' ASN . 10.1 mtt -83.0 166.56 18.7 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 177.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -175.33 -108.22 0.22 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 119.743 -1.218 . . . . 0.0 113.372 -178.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.8 89.39 3.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.984 0.421 . . . . 0.0 111.736 -174.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 1.025 ' HA3' ' HA ' ' A' ' 69' ' ' SER . . . -173.0 179.82 44.17 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.422 178.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.683 ' HA2' ' HA3' ' A' ' 94' ' ' GLY . . . -105.2 -126.22 5.72 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 111.448 -0.661 . . . . 0.0 111.448 177.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.521 ' HB3' ' HB ' ' A' ' 86' ' ' VAL . 14.6 t70 -174.25 165.78 4.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.791 0.296 . . . . 0.0 111.141 178.414 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.86 -27.19 24.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.912 177.27 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -165.17 67.09 0.13 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.23 179.073 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.521 ' HB ' ' HB3' ' A' ' 83' ' ' ASP . 7.7 p -77.69 120.77 28.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.431 0.634 . . . . 0.0 110.679 -178.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 18.6 m -112.05 171.28 3.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.4 -178.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 114.13 -113.36 3.03 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.623 -0.798 . . . . 0.0 111.295 -177.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -153.11 73.85 6.92 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-O 121.043 0.449 . . . . 0.0 110.305 175.139 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -84.12 167.04 12.6 Favored 'Trans proline' 0 N--CA 1.456 -0.701 0 C-N-CA 123.191 2.594 . . . . 0.0 111.686 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.03 -24.3 55.22 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.062 0.458 . . . . 0.0 111.316 -178.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.477 ' HB3' ' H ' ' A' ' 93' ' ' MET . 5.2 mt -163.48 -135.72 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 178.456 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.546 ' HG2' ' O ' ' A' ' 93' ' ' MET . 0.0 OUTLIER -78.78 71.06 5.22 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 169.312 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.683 ' HA3' ' HA2' ' A' ' 82' ' ' GLY . . . 88.18 -66.36 3.29 Favored Glycine 0 N--CA 1.443 -0.872 0 CA-C-N 114.594 -1.184 . . . . 0.0 110.279 -166.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.08 -10.6 73.51 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 121.099 -0.572 . . . . 0.0 112.782 173.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.531 ' HB2' ' H ' ' A' ' 81' ' ' GLY . 5.3 mm-40 -79.11 -7.79 58.45 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.8 0.333 . . . . 0.0 111.296 -177.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.434 ' CD2' ' HA2' ' A' ' 81' ' ' GLY . 0.1 OUTLIER -82.65 3.88 27.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.904 0.383 . . . . 0.0 111.179 178.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -98.61 72.57 0.57 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.625 177.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -93.86 124.29 37.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.929 0.395 . . . . 0.0 110.79 -178.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -86.89 1.54 52.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.797 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.74 3.88 10.81 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 -179.344 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.607 ' HB3' ' CE1' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -100.9 172.64 6.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.693 179.349 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 56.85 45.5 21.43 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.744 175.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.52 HD22 ' OG1' ' A' ' 51' ' ' THR . 0.4 OUTLIER -98.61 11.41 38.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.561 178.586 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.657 HG23 HD21 ' A' ' 21' ' ' LEU . 1.6 mt -74.79 102.55 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.825 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.431 ' HB ' ' HB2' ' A' ' 22' ' ' TYR . 60.6 m -105.24 115.07 29.64 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 173.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.29 112.14 10.17 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-O 121.159 0.504 . . . . 0.0 110.738 -172.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.439 ' H ' ' HE1' ' A' ' 22' ' ' TYR . 1.1 mp -128.21 161.94 28.14 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.13 176.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.694 ' HG2' ' HB2' ' A' ' 112' ' ' GLN . 0.0 OUTLIER -134.0 162.18 32.77 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.136 -177.102 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.942 ' HA ' ' HB3' ' A' ' 114' ' ' ASP . 0.2 OUTLIER -66.04 -19.28 65.8 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.422 0.63 . . . . 0.0 109.901 176.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.33 0.42 49.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.121 177.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.694 ' HB2' ' HG2' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -103.02 -100.79 0.29 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.657 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.487 ' H ' ' HB3' ' A' ' 112' ' ' GLN . 0.1 OUTLIER -96.86 -21.01 17.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.784 0.326 . . . . 0.0 111.109 -179.303 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.942 ' HB3' ' HA ' ' A' ' 110' ' ' ASN . 2.0 t0 -72.16 178.64 3.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.648 -179.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.42 ' O ' ' HB2' ' A' ' 110' ' ' ASN . . . -100.25 170.6 8.33 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.644 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.769 ' HA ' HD22 ' A' ' 110' ' ' ASN . . . -85.07 22.11 1.49 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.322 0.582 . . . . 0.0 110.763 177.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -99.18 36.54 1.7 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.045 177.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 77.09 -93.47 1.08 Allowed Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.844 -0.694 . . . . 0.0 111.702 -176.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.71 113.27 26.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 176.209 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -116.63 -31.35 5.54 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.966 0.413 . . . . 0.0 110.313 -178.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -78.91 128.42 33.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.139 177.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.222 0 CA-C-O 118.548 -0.739 . . . . 0.0 111.217 -178.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.764 0 N-CA-C 111.883 -0.487 . . . . 0.0 111.883 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.96 11.89 8.35 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.824 0.345 . . . . 0.0 110.439 -178.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.503 ' HA ' HD22 ' A' ' 3' ' ' LEU . 0.2 OUTLIER 57.32 43.72 22.97 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.489 -178.262 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.9 m -85.04 -5.64 59.34 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.868 -176.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -82.78 169.8 15.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.092 175.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.778 ' HD3' ' HB3' ' A' ' 17' ' ' ASP . 4.3 mptt -92.97 -13.38 28.85 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.385 -178.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.667 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 0.0 OUTLIER 70.13 107.6 0.06 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.855 173.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.621 ' HB2' HG12 ' A' ' 15' ' ' ILE . 12.5 t -74.01 156.04 37.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.604 -1.18 . . . . 0.0 111.061 -176.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -114.59 12.5 17.27 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.631 174.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.649 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -113.28 -39.12 1.16 Allowed Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.435 -0.888 . . . . 0.0 113.317 -176.037 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.418 ' SG ' ' N ' ' A' ' 12' ' ' GLY . 26.5 p -122.39 -120.32 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.024 0.44 . . . . 0.0 111.651 -175.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.418 ' N ' ' SG ' ' A' ' 11' ' ' CYS . . . -84.3 -39.99 8.78 Favored Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.908 179.003 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 135.71 -10.64 4.28 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.271 -0.966 . . . . 0.0 113.645 176.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.66 81.41 8.64 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 117.048 0.424 . . . . 0.0 110.716 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.621 HG12 ' HB2' ' A' ' 8' ' ' CYS . 2.6 mt -68.32 153.85 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.667 178.171 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.99 74.49 10.52 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 165.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.778 ' HB3' ' HD3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -61.88 -6.93 3.1 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 114.669 -1.15 . . . . 0.0 112.245 -166.809 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.495 ' HA ' ' HB3' ' A' ' 116' ' ' ALA . 0.0 OUTLIER -65.26 -12.22 49.33 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 172.363 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.621 ' HA ' ' HB2' ' A' ' 109' ' ' GLU . 12.4 m-85 -160.04 67.86 0.37 Allowed 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.894 -177.026 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.899 HD23 ' HG3' ' A' ' 109' ' ' GLU . 0.1 OUTLIER -107.15 168.99 8.83 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-O 121.421 0.629 . . . . 0.0 112.131 -175.391 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.796 HD11 HG23 ' A' ' 105' ' ' ILE . 1.0 OUTLIER -118.31 148.9 42.0 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.402 -179.551 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.592 ' HD2' HG22 ' A' ' 106' ' ' THR . 3.1 m-85 -118.55 99.55 6.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.054 177.191 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -135.69 142.32 45.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.709 0.29 . . . . 0.0 111.386 -177.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.7 mtt 62.18 30.68 17.74 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.12 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 64.2 16.08 9.8 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.357 -176.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -127.18 164.09 22.42 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 176.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.516 ' CE1' ' HD1' ' A' ' 22' ' ' TYR . 18.9 m-30 -101.68 153.04 20.13 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -179.225 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.614 ' CD2' HD23 ' A' ' 33' ' ' LEU . 87.5 m95 -144.12 171.94 13.59 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.85 -167.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.587 ' CE1' ' HA ' ' A' ' 15' ' ' ILE . 1.5 m80 -94.67 170.5 9.41 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.333 -1.303 . . . . 0.0 110.087 170.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -36.65 78.58 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.518 0.675 . . . . 0.0 110.11 172.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -86.36 -31.72 21.35 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.153 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.649 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 93.0 m -78.77 -31.05 45.96 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 111.505 0.187 . . . . 0.0 111.505 -174.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.768 ' HG ' HD22 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -80.75 75.5 7.66 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 170.648 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.41 ' H ' ' HG3' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -119.17 160.78 21.5 Favored 'General case' 0 CA--C 1.501 -0.922 0 CA-C-N 114.869 -1.06 . . . . 0.0 111.658 -171.482 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.564 ' HB2' ' H ' ' A' ' 39' ' ' GLN . 11.0 m -63.48 164.52 9.2 Favored 'General case' 0 N--CA 1.434 -1.252 0 CA-C-N 112.867 -1.97 . . . . 0.0 111.889 178.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.94 -19.34 23.39 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.329 176.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.61 -62.76 1.55 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.965 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.2 m -58.9 -40.59 84.92 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.047 178.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.564 ' H ' ' HB2' ' A' ' 35' ' ' CYS . 62.0 mt-30 48.64 40.02 14.72 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.59 0.756 . . . . 0.0 111.677 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -91.11 -149.87 0.23 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.478 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.86 64.77 2.07 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 175.214 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.835 ' HG ' HD11 ' A' ' 105' ' ' ILE . 41.0 tp -60.16 -34.08 73.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.639 -177.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.471 ' O ' ' HG3' ' A' ' 107' ' ' ARG . . . -78.84 15.61 9.87 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.997 -0.62 . . . . 0.0 113.494 179.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -133.33 10.41 4.1 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 117.218 0.509 . . . . 0.0 110.965 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.543 HG12 ' O ' ' A' ' 42' ' ' LEU . 23.4 pt -92.92 -28.21 4.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.842 0.353 . . . . 0.0 111.215 -179.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 96.18 -29.48 10.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.874 -0.679 . . . . 0.0 113.027 176.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.51 148.87 33.27 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.499 0.19 . . . . 0.0 110.649 -179.368 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.563 ' HA ' ' HB ' ' A' ' 105' ' ' ILE . 1.3 m -77.25 139.09 39.76 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.899 0.381 . . . . 0.0 110.879 -177.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.532 ' OG ' HG13 ' A' ' 105' ' ' ILE . 1.4 p -95.03 -170.61 2.23 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.667 -178.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.482 ' CD1' ' HB3' ' A' ' 101' ' ' ASP . 0.6 OUTLIER -129.83 143.96 51.07 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.37 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.25 125.02 53.38 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.874 0.369 . . . . 0.0 111.502 -177.133 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.471 ' HG3' ' CE1' ' A' ' 62' ' ' TYR . 19.6 mmtt -149.61 146.47 27.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.081 178.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.8 m 60.28 22.37 11.8 Favored 'General case' 0 C--N 1.332 -0.168 0 O-C-N 123.469 0.481 . . . . 0.0 111.106 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.38 -2.39 45.98 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.9 -0.666 . . . . 0.0 112.232 -176.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 6.2 mtm -93.99 170.0 9.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.251 0.548 . . . . 0.0 110.498 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.415 HG23 HD21 ' A' ' 104' ' ' LEU . 3.8 mt -110.63 118.38 57.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.057 177.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.533 ' HB3' ' HB3' ' A' ' 61' ' ' ASP . 1.1 mp -124.5 162.39 24.08 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.882 -178.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.426 ' SG ' ' HB3' ' A' ' 60' ' ' ASN . 14.1 p -81.57 176.59 9.53 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 169.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.656 ' O ' HG12 ' A' ' 63' ' ' ILE . 4.2 mmm-85 -71.27 -31.63 67.73 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 175.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.476 ' O ' ' HD3' ' A' ' 64' ' ' ARG . 55.8 t30 -62.69 -50.11 72.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.591 173.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.533 ' HB3' ' HB3' ' A' ' 57' ' ' LEU . 1.4 m-20 -55.27 -46.68 76.13 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.224 176.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.471 ' CE1' ' HG3' ' A' ' 52' ' ' LYS . 28.1 t80 -54.87 -45.83 74.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.403 179.119 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.656 HG12 ' O ' ' A' ' 59' ' ' ARG . 21.4 mm -68.49 -25.92 32.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.972 0.415 . . . . 0.0 111.274 -178.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.476 ' HD3' ' O ' ' A' ' 60' ' ' ASN . 2.5 mpp_? -82.37 -35.17 28.02 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.89 0.376 . . . . 0.0 110.941 178.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.5 tp -90.47 -44.46 9.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.878 -175.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -130.31 39.99 3.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.948 0.404 . . . . 0.0 110.349 -176.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.419 ' HA3' ' O ' ' A' ' 63' ' ' ILE . . . -79.03 46.37 2.94 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 121.088 -0.577 . . . . 0.0 113.191 -176.46 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -82.71 114.23 20.92 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 175.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.8 m 61.94 46.02 7.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.429 0.633 . . . . 0.0 110.633 -176.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.588 ' HA2' ' CD1' ' A' ' 97' ' ' PHE . . . -88.66 76.33 1.89 Allowed Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.034 179.03 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.41 -54.62 22.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.729 0.3 . . . . 0.0 110.851 -177.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -144.61 -59.35 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.277 178.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 130.09 46.3 0.16 Allowed Glycine 0 N--CA 1.443 -0.846 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.26 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.3 m -66.35 134.73 53.19 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.887 0.375 . . . . 0.0 110.954 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 178.3 157.52 19.17 Favored Glycine 0 N--CA 1.449 -0.482 0 N-CA-C 111.697 -0.561 . . . . 0.0 111.697 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -160.89 20.99 0.22 Allowed Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.475 -0.869 . . . . 0.0 112.731 -178.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -73.54 131.79 42.13 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 10.9 tpt -79.99 70.08 6.49 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.244 0.545 . . . . 0.0 110.086 179.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 133.15 130.78 3.1 Favored Glycine 0 N--CA 1.442 -0.914 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 -174.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.417 ' HA ' ' HA ' ' A' ' 101' ' ' ASP . 0.1 OUTLIER -68.42 99.66 0.98 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.271 0.557 . . . . 0.0 111.075 -174.606 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -178.15 81.14 0.06 OUTLIER Glycine 0 N--CA 1.444 -0.789 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.853 -177.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.627 ' HA3' ' HB2' ' A' ' 100' ' ' GLU . . . -115.59 84.96 0.38 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.251 -178.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -102.86 147.13 27.28 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 178.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 6.5 t -81.11 76.07 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.408 0.623 . . . . 0.0 109.878 177.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.7 tmm? -135.0 -158.85 0.91 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.679 -177.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 11.6 t -80.47 91.12 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 175.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.0 p -144.0 -19.44 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.927 -174.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 97.48 38.19 4.3 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.585 -178.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.44 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 0.3 OUTLIER -98.59 140.13 21.6 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-O 120.535 0.207 . . . . 0.0 110.469 -179.6 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 89' ' ' GLU . 12.5 Cg_exo -70.18 173.61 11.09 Favored 'Trans proline' 0 N--CA 1.46 -0.455 0 C-N-CA 122.982 2.455 . . . . 0.0 111.851 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.9 m -66.57 131.6 46.36 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.683 178.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.4 mt -68.24 131.27 45.06 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.285 -179.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.65 -43.41 63.24 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.582 -175.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 109.8 -47.64 1.02 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.446 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -72.42 -44.84 40.47 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.907 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -98.86 124.75 43.98 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 177.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.588 ' CD1' ' HA2' ' A' ' 70' ' ' GLY . 9.4 p90 -63.81 -37.48 87.52 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.131 0.491 . . . . 0.0 110.836 -176.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 46.29 53.98 8.95 Favored Glycine 0 C--N 1.319 -0.402 0 CA-C-N 114.48 -1.236 . . . . 0.0 113.239 175.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -74.98 117.35 16.73 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.793 0.33 . . . . 0.0 110.366 -179.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.627 ' HB2' ' HA3' ' A' ' 82' ' ' GLY . 67.1 mm-40 -79.06 43.51 0.52 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.119 -178.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.482 ' HB3' ' CD1' ' A' ' 50' ' ' TYR . 0.5 OUTLIER -99.65 33.06 2.62 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.49 177.886 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.73 177.32 8.41 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.796 -1.093 . . . . 0.0 112.142 -174.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.43 29.05 16.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 114.827 -1.079 . . . . 0.0 112.081 177.372 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.415 HD21 HG23 ' A' ' 56' ' ' ILE . 38.1 tp -66.93 -45.76 76.88 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 176.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.835 HD11 ' HG ' ' A' ' 42' ' ' LEU . 37.5 mt -82.99 124.13 39.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.454 0.645 . . . . 0.0 110.371 174.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.592 HG22 ' HD2' ' A' ' 22' ' ' TYR . 88.3 m -131.18 86.15 2.34 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 175.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.471 ' HG3' ' O ' ' A' ' 43' ' ' GLY . 0.0 OUTLIER -119.5 96.86 5.38 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.907 -172.777 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.565 ' HB3' ' HG2' ' A' ' 112' ' ' GLN . 0.0 OUTLIER -146.34 102.3 3.58 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.575 174.147 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.899 ' HG3' HD23 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -143.53 134.33 25.25 Favored 'General case' 0 C--O 1.21 -1.018 0 N-CA-C 112.176 0.435 . . . . 0.0 112.176 178.668 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 172.5 -48.12 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 107.416 -1.328 . . . . 0.0 107.416 173.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.4 31.27 1.35 Allowed 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 113.592 -1.64 . . . . 0.0 108.473 170.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.565 ' HG2' ' HB3' ' A' ' 108' ' ' LEU . 2.2 tp60 -92.5 -81.52 0.34 Allowed 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.521 -176.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.54 ' HD1' ' HA ' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -87.77 -35.26 17.97 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 175.671 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -127.74 156.36 42.56 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.143 175.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -98.72 54.39 1.03 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 176.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.495 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . . . -99.53 127.48 45.61 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.519 -176.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -123.95 127.54 48.11 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.64 177.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -99.48 -119.17 4.22 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.748 -175.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 11.3 pt -84.3 6.13 2.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.801 0.334 . . . . 0.0 111.424 -177.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.9 25.19 11.38 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.385 0.612 . . . . 0.0 110.072 178.323 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -83.38 -53.26 5.86 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.632 -178.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.693 -0.67 . . . . 0.0 109.806 179.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.624 0 N-CA-C 111.73 -0.548 . . . . 0.0 111.73 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.99 -26.74 66.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.993 0.425 . . . . 0.0 111.157 -178.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.2 98.82 5.43 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.901 178.083 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.8 m -82.09 50.87 1.65 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.825 0.345 . . . . 0.0 111.557 -176.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.859 ' HE3' ' HE3' ' A' ' 14' ' ' LYS . 5.0 p-90 -95.41 146.88 24.07 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.106 176.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.52 ' HA ' ' CD2' ' A' ' 27' ' ' TYR . 1.3 mptp? -94.73 105.34 17.28 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.054 -176.246 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -113.12 142.46 45.73 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.137 176.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.693 ' HB2' HG12 ' A' ' 15' ' ' ILE . 38.5 t -89.62 137.89 31.94 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.125 -176.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -102.44 3.88 38.19 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.189 176.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.854 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -84.84 -43.42 6.79 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.042 -178.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.8 p -106.42 -73.78 0.67 Allowed 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 175.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 151.89 51.1 0.01 OUTLIER Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.542 -0.837 . . . . 0.0 113.112 177.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -156.13 -149.8 5.45 Favored Glycine 0 N--CA 1.436 -1.345 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.569 176.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.859 ' HE3' ' HE3' ' A' ' 5' ' ' TRP . 19.3 tttt -100.73 150.16 23.06 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 176.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.693 HG12 ' HB2' ' A' ' 8' ' ' CYS . 2.1 mt -94.1 105.85 17.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 120.978 0.418 . . . . 0.0 110.653 179.156 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.5 -5.9 53.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.241 0.543 . . . . 0.0 110.051 178.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.89 145.89 37.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.373 179.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.87 -45.15 71.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.542 -178.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -89.78 97.6 11.29 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.795 -177.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -101.78 166.64 10.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.998 177.885 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.943 HD22 ' HG ' ' A' ' 33' ' ' LEU . 0.4 OUTLIER -119.07 140.53 49.93 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.858 173.886 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.452 ' HB2' ' HB ' ' A' ' 106' ' ' THR . 3.2 m-85 -113.2 113.59 25.57 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -179.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -152.67 140.61 20.17 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 121.014 -0.274 . . . . 0.0 111.575 -177.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.439 ' H ' HD11 ' A' ' 104' ' ' LEU . 6.1 mtm 62.63 32.88 16.11 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.107 179.211 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 64.47 16.8 10.47 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.997 -178.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -130.25 165.92 21.42 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.959 177.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.52 ' CD2' ' HA ' ' A' ' 6' ' ' LYS . 2.7 m-85 -110.36 152.42 26.25 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.89 -177.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.509 ' CD2' HD23 ' A' ' 33' ' ' LEU . 22.0 m95 -139.93 164.54 29.73 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.765 -171.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.577 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 8.3 m80 -79.83 172.0 14.36 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 170.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.34 -44.81 82.26 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 120.881 0.372 . . . . 0.0 110.573 176.12 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.1 ttm105 -92.51 1.95 56.96 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.854 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 42.8 m -95.41 -20.62 18.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 122.075 -0.391 . . . . 0.0 110.609 178.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.943 ' HG ' HD22 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -87.61 76.45 8.9 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 122.084 0.945 . . . . 0.0 109.499 173.896 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.452 ' HG3' ' HA ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -128.65 164.02 23.81 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 114.367 -1.288 . . . . 0.0 109.672 -176.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 35.0 t -60.48 147.45 41.15 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.967 0.413 . . . . 0.0 110.798 -179.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.1 m -77.93 -12.11 59.95 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.071 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.41 -46.57 2.87 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.937 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 70.0 m -79.53 -30.95 42.01 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -178.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.452 ' HA ' ' HG3' ' A' ' 34' ' ' LYS . 18.1 mm-40 60.92 29.53 19.07 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.331 0.586 . . . . 0.0 110.42 -174.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.49 138.41 37.58 Favored 'General case' 0 N--CA 1.438 -1.066 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.395 176.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.749 ' HB3' ' HB2' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -57.13 114.99 2.38 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 114.948 -1.023 . . . . 0.0 110.229 -177.183 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.444 ' O ' HG12 ' A' ' 45' ' ' ILE . 19.6 mt -79.09 -29.87 43.55 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.384 -174.51 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.38 -7.87 79.08 Favored Glycine 0 C--N 1.329 0.162 0 C-N-CA 120.61 -0.805 . . . . 0.0 111.771 176.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.749 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . 6.8 t0 -69.79 -26.08 64.1 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 122.89 0.476 . . . . 0.0 110.668 178.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.444 HG12 ' O ' ' A' ' 42' ' ' LEU . 17.2 pt -100.21 -1.78 9.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.661 -179.201 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 123.72 -122.82 5.02 Favored Glycine 0 N--CA 1.445 -0.726 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.53 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.401 ' HA ' ' HB ' ' A' ' 105' ' ' ILE . 0.1 OUTLIER -128.23 103.25 7.08 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-O 121.636 0.731 . . . . 0.0 109.933 173.884 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.763 ' H ' HD12 ' A' ' 105' ' ' ILE . 4.4 m -161.04 111.24 1.71 Allowed 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.54 179.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.591 ' OG ' HG13 ' A' ' 105' ' ' ILE . 0.1 OUTLIER -153.34 124.27 7.37 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 177.335 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -84.12 112.1 19.92 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 120.995 0.426 . . . . 0.0 111.061 -173.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.497 HG23 HD22 ' A' ' 104' ' ' LEU . 0.2 OUTLIER -85.99 100.24 12.0 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.183 -176.07 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.906 ' HE2' HD12 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -157.4 137.32 12.45 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.904 -1.044 . . . . 0.0 108.314 176.205 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 64.98 14.19 9.17 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 123.39 0.431 . . . . 0.0 111.253 -177.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 61.77 21.2 60.54 Favored Glycine 0 C--N 1.333 0.41 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 -173.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.558 ' HB3' ' NZ ' ' A' ' 52' ' ' LYS . 10.9 ttm -113.14 117.32 31.62 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.533 -0.334 . . . . 0.0 110.385 -173.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.474 HD11 ' CH2' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -77.22 114.3 17.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.98 -179.197 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.906 HD12 ' HE2' ' A' ' 52' ' ' LYS . 87.5 mt -125.83 166.09 17.5 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.309 177.235 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 7.5 p -81.4 -177.19 6.39 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.331 175.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.6 mtt85 -80.78 -10.58 59.71 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.488 176.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -93.76 -49.18 5.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.816 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -63.66 -35.69 81.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.687 -177.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -55.2 -41.87 72.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.373 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.548 HG22 ' HA ' ' A' ' 69' ' ' SER . 23.1 mm -64.37 -34.7 71.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.759 -176.25 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.44 HH11 ' HD2' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -85.68 -31.49 22.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.46 -177.479 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.591 HD12 HD13 ' A' ' 57' ' ' LEU . 65.3 mt -91.72 -39.03 12.05 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -174.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -125.23 -41.82 2.04 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -172.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -78.88 -174.79 45.52 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.872 -175.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -86.77 114.22 23.26 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 175.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.548 ' HA ' HG22 ' A' ' 63' ' ' ILE . 1.4 m -76.58 68.62 2.9 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.25 0.548 . . . . 0.0 111.366 -175.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -127.99 -139.56 4.86 Favored Glycine 0 N--CA 1.448 -0.548 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.433 178.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -156.28 134.05 11.05 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.775 0.321 . . . . 0.0 110.623 178.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -99.75 -16.07 29.77 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.825 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.72 -84.92 1.38 Allowed Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 121.015 -0.612 . . . . 0.0 111.824 -179.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.36 -52.35 19.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.639 0.257 . . . . 0.0 110.383 177.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.516 ' HA2' ' HA3' ' A' ' 95' ' ' GLY . . . 169.69 -28.11 0.13 Allowed Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.158 -1.02 . . . . 0.0 113.262 176.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.88 -130.98 39.78 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.4 -176.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -84.97 82.37 8.48 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 174.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.49 98.06 7.78 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.143 0.497 . . . . 0.0 111.014 -176.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.797 ' HA3' ' HG2' ' A' ' 100' ' ' GLU . . . -92.49 0.02 70.49 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.698 -0.763 . . . . 0.0 111.37 177.165 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.627 ' HB3' ' HG2' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -81.84 151.21 27.46 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.217 -0.492 . . . . 0.0 111.053 -178.575 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 172.69 18.7 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.888 179.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -82.64 16.44 25.54 Favored Glycine 0 CA--C 1.521 0.444 0 C-N-CA 120.88 -0.676 . . . . 0.0 113.461 -178.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.536 ' HB3' ' HB ' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -75.19 64.5 1.44 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 117.031 0.415 . . . . 0.0 110.188 178.11 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 31.3 m -80.71 -6.87 10.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.526 -175.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -126.46 27.51 6.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.741 0.782 . . . . 0.0 109.801 177.083 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.696 HG13 ' H ' ' A' ' 88' ' ' GLY . 2.1 p -81.17 170.87 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.785 177.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.466 ' H ' HG22 ' A' ' 86' ' ' VAL . 7.7 p -53.5 -33.7 22.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-O 120.822 0.344 . . . . 0.0 111.5 -177.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.696 ' H ' HG13 ' A' ' 86' ' ' VAL . . . 122.28 -44.54 1.32 Allowed Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.815 -0.707 . . . . 0.0 111.651 178.131 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.517 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 1.1 mp0 -64.54 138.56 97.49 Favored Pre-proline 0 C--N 1.323 -0.57 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 178.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.517 ' HD3' ' HA ' ' A' ' 89' ' ' GLU . 12.4 Cg_exo -75.34 29.19 0.37 Allowed 'Trans proline' 0 CA--C 1.529 0.27 0 C-N-CA 123.208 2.606 . . . . 0.0 113.281 -175.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.26 51.93 2.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.023 0.44 . . . . 0.0 110.746 178.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.0 mp -74.01 -52.15 13.65 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.434 -179.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 54.51 52.98 11.38 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.677 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -127.81 55.63 0.75 Allowed Glycine 0 N--CA 1.445 -0.727 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.46 -179.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.516 ' HA3' ' HA2' ' A' ' 75' ' ' GLY . . . -102.02 13.17 57.52 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.272 -178.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.461 ' HG3' HG13 ' A' ' 63' ' ' ILE . 0.1 OUTLIER -68.64 -44.38 74.29 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.842 0.353 . . . . 0.0 110.516 179.731 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -162.42 71.92 0.33 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.066 177.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.15 72.48 2.29 Favored Glycine 0 N--CA 1.449 -0.5 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.588 -178.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -66.31 142.24 57.72 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.797 ' HG2' ' HA3' ' A' ' 79' ' ' GLY . 0.7 OUTLIER -87.11 49.02 1.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.174 -176.696 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -132.84 35.64 3.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.391 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.627 ' HG2' ' HB3' ' A' ' 80' ' ' SER . 0.0 OUTLIER -100.75 -19.36 16.05 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.304 -177.823 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.417 ' HD3' ' HA ' ' A' ' 103' ' ' ARG . 0.2 OUTLIER -77.69 52.41 1.0 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.439 0.637 . . . . 0.0 111.124 -179.022 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.497 HD22 HG23 ' A' ' 51' ' ' THR . 16.1 tp -93.39 -22.14 19.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.663 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.763 HD12 ' H ' ' A' ' 48' ' ' SER . 54.6 mt -76.61 105.71 5.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.211 0.529 . . . . 0.0 110.615 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.452 ' HB ' ' HB2' ' A' ' 22' ' ' TYR . 36.2 m -100.9 106.01 17.33 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.232 176.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.3 111.79 19.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.054 0.455 . . . . 0.0 109.991 -177.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 11.7 mt -145.62 100.69 3.47 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.889 177.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.63 ' HG2' ' HA ' ' A' ' 112' ' ' GLN . 21.3 pm0 -87.51 160.94 18.06 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.976 179.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -71.33 111.57 6.77 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 176.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 1.9 m 69.35 80.27 0.19 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.467 -170.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.63 ' HA ' ' HG2' ' A' ' 109' ' ' GLU . 7.9 mt-30 -54.29 136.61 43.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.634 -174.088 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 11.9 m-30 -96.8 127.55 42.89 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.404 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -74.82 -45.11 45.55 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 174.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -101.37 104.14 15.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.916 -1.038 . . . . 0.0 109.354 171.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -76.46 -25.66 54.59 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.692 -174.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -71.2 -17.38 62.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.895 0.378 . . . . 0.0 110.621 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -118.87 -172.46 15.37 Favored Glycine 0 N--CA 1.446 -0.687 0 N-CA-C 111.365 -0.694 . . . . 0.0 111.365 174.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.494 ' H ' HG13 ' A' ' 119' ' ' ILE . 0.1 OUTLIER -100.74 83.65 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 175.795 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -73.77 77.88 1.58 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.49 -174.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -172.24 -38.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.518 178.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 . . . . . 0 C--O 1.245 0.862 0 CA-C-O 118.16 -0.924 . . . . 0.0 109.894 176.924 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.887 0 N-CA-C 111.721 -0.552 . . . . 0.0 111.721 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.35 1.64 5.11 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.996 0.427 . . . . 0.0 110.686 179.145 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.478 HD13 ' HA ' ' A' ' 3' ' ' LEU . 0.2 OUTLIER -104.1 -139.66 0.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.734 177.797 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.426 ' H ' ' HB3' ' A' ' 3' ' ' LEU . 1.0 OUTLIER 52.88 -148.76 0.42 Allowed 'General case' 0 C--O 1.234 0.249 0 O-C-N 123.341 0.4 . . . . 0.0 111.153 178.166 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 10.7 p-90 -124.49 122.4 37.52 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 174.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.521 ' HA ' ' HD2' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -67.61 108.75 3.0 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.368 -174.675 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.525 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -123.58 130.19 52.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.543 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.401 ' HB2' HG12 ' A' ' 15' ' ' ILE . 6.7 t -77.33 145.76 37.16 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.197 -0.911 . . . . 0.0 111.478 -176.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.426 ' HA ' ' NH2' ' A' ' 7' ' ' ARG . . . -109.55 8.84 25.25 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.194 172.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.639 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -102.4 -44.77 1.79 Allowed Glycine 0 N--CA 1.444 -0.799 0 CA-C-N 115.397 -0.82 . . . . 0.0 112.592 -177.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.429 ' SG ' ' N ' ' A' ' 12' ' ' GLY . 20.6 p -110.34 -95.19 0.42 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.985 0.392 . . . . 0.0 111.13 -179.526 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.429 ' N ' ' SG ' ' A' ' 11' ' ' CYS . . . -105.54 -91.67 2.23 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 121.035 -0.602 . . . . 0.0 112.858 -178.308 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -151.07 -97.16 0.16 Allowed Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.73 -177.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.606 ' HD3' ' HB2' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -54.17 114.99 1.82 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.924 0.392 . . . . 0.0 111.853 -177.104 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.745 HG22 ' H ' ' A' ' 17' ' ' ASP . 10.2 mt -73.45 -71.85 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.824 -179.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.606 ' HB2' ' HD3' ' A' ' 14' ' ' LYS . . . 62.6 20.48 12.04 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 123.555 0.534 . . . . 0.0 111.458 -179.038 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.745 ' H ' HG22 ' A' ' 15' ' ' ILE . 0.5 OUTLIER -100.6 155.9 17.61 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.755 175.698 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 ttm105 -75.89 -40.13 55.06 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 176.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.0 m-30 -91.66 113.5 25.78 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.162 178.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.407 HD21 ' CE2' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -151.66 168.59 24.53 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.492 177.897 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.617 HD13 ' HA3' ' A' ' 43' ' ' GLY . 0.2 OUTLIER -128.2 154.48 45.77 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.0 0.429 . . . . 0.0 110.942 -177.35 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.455 ' HD2' ' CD1' ' A' ' 27' ' ' TYR . 2.8 m-85 -121.35 114.47 21.37 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.052 177.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -146.38 130.63 17.52 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.818 0.342 . . . . 0.0 111.423 -176.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 61.26 39.09 16.03 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.233 178.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 59.32 25.17 13.78 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.306 -178.138 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.91 148.01 52.29 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.393 175.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.521 ' HD2' ' HA ' ' A' ' 6' ' ' LYS . 11.6 m-30 -97.99 149.2 22.7 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 -177.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.512 ' CD2' HD23 ' A' ' 33' ' ' LEU . 35.2 m95 -142.07 175.09 10.01 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.846 -172.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.603 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 15.9 m80 -94.16 166.51 12.09 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 166.105 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -42.73 98.84 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.912 0.386 . . . . 0.0 110.838 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.6 tpp85 -84.16 -20.17 32.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.214 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.639 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 57.8 m -77.95 -24.45 48.19 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.603 ' HG ' HD22 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -85.36 87.58 7.4 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 172.426 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.57 ' HG3' ' HA ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -132.28 170.69 14.7 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.974 -175.437 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 41.9 t -60.18 145.94 45.24 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.258 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.1 m -84.01 -8.98 59.0 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.376 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.3 m -111.15 -43.21 3.77 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.372 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.5 m -100.38 -17.44 17.22 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -177.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.57 ' HA ' ' HG3' ' A' ' 34' ' ' LYS . 87.2 mm-40 63.61 22.15 13.03 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.51 0.671 . . . . 0.0 109.287 -170.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.26 122.7 23.26 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.118 -179.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.705 ' HG3' ' HB3' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -48.57 116.67 1.68 Allowed 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 114.365 -1.289 . . . . 0.0 111.096 -179.748 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 55.9 mt -108.08 -39.94 5.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.663 -175.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.617 ' HA3' HD13 ' A' ' 21' ' ' LEU . . . -85.89 -32.29 18.42 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.091 -1.052 . . . . 0.0 112.879 -177.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.705 ' HB3' ' HG3' ' A' ' 41' ' ' GLN . 10.2 t0 -75.78 -5.12 44.3 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -175.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 pt -95.83 -13.28 8.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.549 176.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.33 -20.88 43.61 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.909 -0.662 . . . . 0.0 113.569 175.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.59 174.05 10.88 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.774 0.287 . . . . 0.0 111.255 -178.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.449 ' HA ' ' HB ' ' A' ' 105' ' ' ILE . 0.1 OUTLIER -89.98 158.72 17.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.05 0.452 . . . . 0.0 111.357 -178.217 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.5 p -105.65 171.92 7.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.12 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.887 ' HE1' ' HB3' ' A' ' 101' ' ' ASP . 2.0 m-85 -110.31 114.22 27.5 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.059 177.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -112.25 115.42 28.77 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.202 0.525 . . . . 0.0 111.22 -178.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.486 ' HB3' ' CE1' ' A' ' 66' ' ' PHE . 17.0 tptt -144.89 135.06 24.04 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.359 177.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.636 ' HB2' ' HG3' ' A' ' 55' ' ' MET . 66.3 m 68.78 17.25 8.84 Favored 'General case' 0 N--CA 1.466 0.34 0 O-C-N 123.433 0.458 . . . . 0.0 110.931 -176.07 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 78.1 -5.51 54.01 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.506 -0.854 . . . . 0.0 111.359 -172.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.636 ' HG3' ' HB2' ' A' ' 53' ' ' SER . 0.1 OUTLIER -80.58 116.66 20.73 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 121.266 0.555 . . . . 0.0 109.821 178.064 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 13.2 mt -85.77 100.55 9.01 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.046 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.36 177.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.8 mt -112.42 164.76 12.89 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.25 -172.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.638 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 25.6 p -80.5 167.82 19.68 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.417 -0.81 . . . . 0.0 109.256 173.442 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.489 ' HG3' ' HE2' ' A' ' 50' ' ' TYR . 20.0 ttm-85 -61.02 -38.22 85.32 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.763 0.316 . . . . 0.0 111.532 -176.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.456 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 36.8 t30 -72.77 -42.99 63.38 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.626 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.638 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 4.6 m-20 -60.26 -39.28 86.26 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.636 -178.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.428 ' HE1' ' HB2' ' A' ' 52' ' ' LYS . 83.8 t80 -56.56 -40.76 75.71 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.017 -178.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 13.0 mm -72.15 -20.85 20.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -178.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' A' ' 60' ' ' ASN . 5.1 mtp180 -85.06 -42.95 14.35 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.728 176.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.05 -43.2 35.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.849 -175.035 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.486 ' CE1' ' HB3' ' A' ' 52' ' ' LYS . 88.6 m-85 -117.98 -43.17 2.77 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.049 -176.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 60.16 -111.14 3.35 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.916 -0.659 . . . . 0.0 113.127 177.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 73.19 -63.89 0.42 Allowed 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.587 0.755 . . . . 0.0 110.755 -177.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.78 119.06 38.15 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.054 175.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.03 97.87 0.95 Allowed Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.087 -178.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.622 ' HA ' ' O ' ' A' ' 95' ' ' GLY . . . -79.13 128.32 33.14 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.796 -0.202 . . . . 0.0 111.124 -176.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -117.02 82.43 0.32 Allowed Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.976 -0.63 . . . . 0.0 111.728 176.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 170.61 114.27 0.31 Allowed Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.61 -178.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.82 -16.57 21.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.978 0.418 . . . . 0.0 110.904 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 176.7 118.65 0.55 Allowed Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.198 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -138.5 -99.95 0.49 Allowed Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.41 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.545 ' H ' ' HA ' ' A' ' 83' ' ' ASP . 0.0 OUTLIER -154.52 -84.26 0.07 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 179.119 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 9.8 tpt -73.35 112.57 9.54 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 177.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 104.24 0.9 44.39 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.531 -0.842 . . . . 0.0 111.978 -176.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.2 m 67.58 -69.32 0.14 Allowed 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.242 0.617 . . . . 0.0 111.742 179.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -74.65 -38.63 42.81 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.682 -0.77 . . . . 0.0 111.209 175.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -85.06 175.7 50.19 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 111.386 -0.686 . . . . 0.0 111.386 174.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.609 ' O ' ' HB ' ' A' ' 84' ' ' VAL . 17.8 t70 -122.84 -44.25 2.21 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.563 0.22 . . . . 0.0 110.646 -179.389 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.609 ' HB ' ' O ' ' A' ' 83' ' ' ASP . 0.3 OUTLIER 160.56 -25.65 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 178.205 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.2 ttt -142.36 148.0 37.19 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.513 -1.221 . . . . 0.0 108.063 176.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.777 ' HB ' ' HA ' ' A' ' 90' ' ' PRO . 0.6 OUTLIER -71.43 77.2 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.216 0.531 . . . . 0.0 111.228 -175.34 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 14.9 t -89.18 -50.76 12.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.947 -177.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.9 -52.12 40.28 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.131 -178.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -131.14 105.62 14.94 Favored Pre-proline 0 C--N 1.32 -0.685 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 176.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.777 ' HA ' ' HB ' ' A' ' 86' ' ' VAL . 46.6 Cg_endo -71.72 72.63 2.47 Favored 'Trans proline' 0 C--O 1.232 0.225 0 C-N-CA 122.683 2.256 . . . . 0.0 112.3 -176.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.3 80.63 1.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.156 -178.397 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 84.1 mt -68.06 -38.63 82.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.603 178.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.71 54.64 1.33 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.577 173.428 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 176.49 -148.78 9.29 Favored Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.394 -176.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.622 ' O ' ' HA ' ' A' ' 71' ' ' ALA . . . -174.31 173.53 46.05 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.849 179.237 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -84.63 76.91 10.14 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.009 0.433 . . . . 0.0 110.754 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.713 ' HA ' ' HG3' ' A' ' 100' ' ' GLU . 1.8 t80 -78.79 63.96 3.66 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.306 0.574 . . . . 0.0 109.795 177.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.463 ' O ' ' HG2' ' A' ' 102' ' ' GLU . . . -87.44 -64.18 1.4 Allowed Glycine 0 N--CA 1.444 -0.772 0 CA-C-N 115.188 -0.914 . . . . 0.0 112.926 -173.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.714 ' HA ' ' CG ' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -109.65 7.56 24.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.332 0.587 . . . . 0.0 110.881 -176.206 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.713 ' HG3' ' HA ' ' A' ' 97' ' ' PHE . 1.1 mm-40 -60.86 -40.8 94.32 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.478 -0.783 . . . . 0.0 112.53 -177.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.887 ' HB3' ' HE1' ' A' ' 50' ' ' TYR . 12.9 t0 -126.11 14.26 7.85 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -174.158 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.714 ' CG ' ' HA ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -100.64 -124.76 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.561 177.806 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 64.05 23.98 13.4 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.978 0.418 . . . . 0.0 111.328 177.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.79 19.91 15.15 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.896 0.379 . . . . 0.0 110.704 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.526 HG23 HD21 ' A' ' 21' ' ' LEU . 2.5 mt -115.17 119.4 61.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.141 0.496 . . . . 0.0 110.307 175.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 40.1 m -109.95 108.96 19.41 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 174.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.03 100.65 7.09 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -171.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 34.0 mt -137.57 110.52 7.71 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.871 178.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -65.38 164.09 14.39 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.719 -178.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -57.53 -37.41 73.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.208 179.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 1.8 m -114.59 87.68 2.69 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.685 172.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.449 ' H ' ' HG3' ' A' ' 112' ' ' GLN . 0.0 OUTLIER -92.75 44.06 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.563 -177.738 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -86.96 -170.37 3.04 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.937 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -58.02 -48.0 81.39 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.065 0.46 . . . . 0.0 109.796 176.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -85.77 73.1 10.45 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.937 173.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -75.93 71.11 2.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.193 -176.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 38.3 t-20 -168.81 164.29 11.85 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.19 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -69.46 -78.93 0.32 Allowed Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.97 -0.634 . . . . 0.0 112.603 -178.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 11.6 mm 49.11 62.47 0.22 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 121.404 0.621 . . . . 0.0 110.499 -178.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -109.92 161.03 15.88 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.928 -175.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -141.17 165.08 28.51 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.533 176.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.491 -0.766 . . . . 0.0 110.764 -178.331 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.773 0 N-CA-C 112.259 -0.336 . . . . 0.0 112.259 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.06 -46.83 76.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.841 0.353 . . . . 0.0 110.098 178.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 tp -81.03 130.95 35.25 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 172.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.514 ' HB3' ' HD3' ' A' ' 14' ' ' LYS . 2.8 m -81.63 41.9 0.66 Allowed 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -174.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.416 ' O ' ' HD3' ' A' ' 6' ' ' LYS . 0.5 OUTLIER 46.5 -133.03 1.07 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.606 -0.724 . . . . 0.0 112.094 171.355 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.532 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -134.94 179.16 6.48 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.558 178.829 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.27 120.52 41.35 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.246 178.266 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.71 ' HB2' HG12 ' A' ' 15' ' ' ILE . 2.8 t -62.82 124.54 21.3 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.168 -177.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.69 2.58 29.02 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.937 178.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.889 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -88.07 -49.36 3.8 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.032 178.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.426 ' SG ' ' N ' ' A' ' 12' ' ' GLY . 21.0 p -108.67 -86.81 0.51 Allowed 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.491 177.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.426 ' N ' ' SG ' ' A' ' 11' ' ' CYS . . . 160.73 77.28 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 121.148 -0.548 . . . . 0.0 112.123 179.547 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -178.82 -174.85 45.39 Favored Glycine 0 N--CA 1.425 -2.083 0 N-CA-C 110.046 -1.222 . . . . 0.0 110.046 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.514 ' HD3' ' HB3' ' A' ' 4' ' ' SER . 13.3 mtmt -82.91 131.07 35.2 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-N 115.495 -0.353 . . . . 0.0 110.075 177.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.71 HG12 ' HB2' ' A' ' 8' ' ' CYS . 3.9 mt -78.19 90.41 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.719 -177.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.31 24.38 2.96 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.821 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -100.51 147.86 25.43 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.476 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.802 ' HB2' ' HB2' ' A' ' 110' ' ' ASN . 0.0 OUTLIER -86.1 -5.78 59.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.02 0.438 . . . . 0.0 110.152 177.535 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -116.94 86.25 2.47 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.299 175.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.493 ' HB2' HG21 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -114.16 169.61 8.9 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.8 -175.758 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.646 HD21 HG23 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -131.14 157.17 43.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.851 -177.427 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.716 ' HD2' HG22 ' A' ' 106' ' ' THR . 5.6 m-85 -125.83 125.44 42.88 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 175.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -151.89 128.05 10.48 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 121.172 -0.211 . . . . 0.0 110.942 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.58 ' HG3' HG21 ' A' ' 51' ' ' THR . 7.0 mmm 63.09 37.4 11.56 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.94 -179.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 59.8 17.2 6.22 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.701 -178.116 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -120.48 143.83 48.32 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 173.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.532 ' HB2' ' HB3' ' A' ' 6' ' ' LYS . 6.5 m-30 -95.64 150.18 20.64 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 120.67 -0.412 . . . . 0.0 109.9 -177.035 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 9.7 m95 -134.65 176.5 8.58 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.138 -174.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.41 ' HB3' ' H ' ' A' ' 30' ' ' SER . 4.3 m80 -83.6 -152.0 0.12 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.347 -0.842 . . . . 0.0 108.965 168.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.41 ' H ' ' HB3' ' A' ' 29' ' ' HIS . 0.1 OUTLIER -102.8 -54.1 2.71 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.053 0.454 . . . . 0.0 110.33 175.225 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.44 ' HG2' ' O ' ' A' ' 31' ' ' ARG . 1.0 OUTLIER -79.22 -13.62 59.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.576 -178.48 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.889 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 82.9 m -78.36 -16.32 57.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.48 -178.288 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.623 HD22 HD22 ' A' ' 21' ' ' LEU . 16.8 tp -85.05 62.45 7.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.748 0.785 . . . . 0.0 109.721 173.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.464 ' CG ' ' HA ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -114.73 155.26 27.0 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.456 -179.66 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.448 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 45.2 t -58.91 140.0 55.92 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 123.402 0.438 . . . . 0.0 110.128 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.2 m -72.57 -5.75 39.3 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.038 0.447 . . . . 0.0 110.446 176.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.52 -41.42 2.82 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.34 -178.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.448 ' HB2' ' HB3' ' A' ' 35' ' ' CYS . 72.3 m -91.86 -30.94 15.9 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -177.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.464 ' HA ' ' CG ' ' A' ' 34' ' ' LYS . 2.2 mp0 63.74 23.81 13.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.49 -173.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -93.86 135.38 35.24 Favored 'General case' 0 N--CA 1.438 -1.051 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.009 175.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.65 114.86 3.52 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.813 -177.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.494 HD12 HD11 ' A' ' 45' ' ' ILE . 0.8 OUTLIER -65.65 -18.2 65.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.943 -172.848 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -91.3 -2.98 70.05 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.109 178.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -95.02 -34.37 12.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.212 0.53 . . . . 0.0 109.896 178.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.494 HD11 HD12 ' A' ' 42' ' ' LEU . 2.7 pt -89.27 55.34 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.335 177.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.91 -131.38 10.46 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -175.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.24 102.91 2.97 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.958 0.409 . . . . 0.0 110.264 172.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -160.37 153.92 22.32 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 178.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.403 ' HB3' HD23 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -161.44 133.77 5.91 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.515 ' O ' ' HA ' ' A' ' 56' ' ' ILE . 14.3 m-85 -119.53 122.94 42.76 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.857 -176.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.58 HG21 ' HG3' ' A' ' 24' ' ' MET . 0.2 OUTLIER -92.3 103.63 16.07 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.944 0.402 . . . . 0.0 110.932 179.845 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.64 ' O ' ' HG2' ' A' ' 55' ' ' MET . 8.5 mmtm -140.14 136.54 33.62 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.482 -179.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.9 m 63.42 22.34 13.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.293 -179.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 79.01 5.05 89.04 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.069 -178.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.64 ' HG2' ' O ' ' A' ' 52' ' ' LYS . 4.1 ptt? -121.61 -179.18 4.01 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 178.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.515 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -118.09 136.16 56.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.221 0.534 . . . . 0.0 110.945 179.634 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 69.5 mt -122.07 168.45 11.94 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.813 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.687 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 27.6 p -83.94 170.48 13.95 Favored 'General case' 0 N--CA 1.442 -0.833 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 173.015 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.3 tpp85 -69.17 -34.47 74.99 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.182 0.515 . . . . 0.0 109.923 177.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -66.06 -41.47 90.74 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.997 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.687 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 6.4 m-20 -77.86 -32.86 52.24 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.573 -177.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -52.94 -42.29 65.31 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.366 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.427 ' O ' ' HA3' ' A' ' 67' ' ' GLY . 2.1 mm -71.9 -14.0 17.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.023 0.439 . . . . 0.0 111.473 -178.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.4 mtt180 -87.67 -53.89 4.55 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.306 0.574 . . . . 0.0 109.945 175.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.543 ' HB3' ' CD1' ' A' ' 66' ' ' PHE . 0.2 OUTLIER -71.94 -48.66 43.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.912 -176.106 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.543 ' CD1' ' HB3' ' A' ' 65' ' ' LEU . 93.8 m-85 -126.83 32.53 5.11 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.921 0.391 . . . . 0.0 111.035 -175.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.427 ' HA3' ' O ' ' A' ' 63' ' ' ILE . . . -79.23 -19.24 72.48 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.104 179.368 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -70.37 112.02 6.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.524 0.202 . . . . 0.0 110.529 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.0 m 63.69 -99.19 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.028 -176.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 77.75 -62.63 3.54 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 121.014 -0.612 . . . . 0.0 111.995 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -147.76 61.13 1.14 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.45 0.643 . . . . 0.0 109.377 176.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -171.46 111.57 0.41 Allowed Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.425 -177.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -57.35 -35.29 70.79 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 121.068 -0.587 . . . . 0.0 112.897 -176.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.21 23.36 11.78 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.061 0.458 . . . . 0.0 110.723 178.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 106.13 167.14 23.08 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.911 -0.661 . . . . 0.0 111.631 -177.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.428 ' HA3' ' HE2' ' A' ' 97' ' ' PHE . . . -91.01 135.7 12.97 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.568 -0.825 . . . . 0.0 111.347 177.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -148.04 -178.54 6.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.949 0.375 . . . . 0.0 111.11 -177.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.1 mtm 61.83 27.37 16.69 Favored 'General case' 0 N--CA 1.464 0.229 0 O-C-N 123.799 0.687 . . . . 0.0 110.807 -178.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 71.85 -86.76 0.46 Allowed Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 -174.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -121.43 72.61 1.01 Allowed 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 172.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -107.35 36.27 4.5 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.574 -176.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.461 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -76.31 -34.85 44.49 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.984 -0.626 . . . . 0.0 112.787 -179.362 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -67.99 -20.93 65.07 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.344 0.592 . . . . 0.0 110.658 179.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -92.53 -13.52 8.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.733 178.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.93 -43.87 6.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.381 -177.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.488 ' HA ' ' HG3' ' A' ' 89' ' ' GLU . 4.4 t -79.29 66.42 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.502 0.668 . . . . 0.0 110.771 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -128.04 85.25 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.554 178.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 107.18 17.86 11.09 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.826 -0.702 . . . . 0.0 111.875 -174.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.488 ' HG3' ' HA ' ' A' ' 86' ' ' VAL . 7.5 mm-40 -99.79 170.87 6.21 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 178.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.459 ' HD2' ' HB3' ' A' ' 89' ' ' GLU . 51.2 Cg_exo -56.7 -32.1 89.86 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 122.376 2.051 . . . . 0.0 111.866 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.402 ' HB ' HG11 ' A' ' 86' ' ' VAL . 0.1 OUTLIER -73.32 114.58 11.68 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.248 174.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.6 mt -75.65 -34.79 60.52 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.286 -177.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.68 100.6 8.15 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.777 176.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -89.49 69.37 2.53 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.837 -0.696 . . . . 0.0 111.939 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.575 ' O ' ' HB3' ' A' ' 101' ' ' ASP . . . -80.3 -42.16 10.87 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.15 -178.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -57.83 134.21 56.09 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 123.629 0.253 . . . . 0.0 111.041 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.428 ' HE2' ' HA3' ' A' ' 76' ' ' GLY . 0.1 OUTLIER 64.52 13.26 8.06 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.405 -178.312 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.555 ' O ' ' HB3' ' A' ' 99' ' ' ASP . . . -90.6 7.4 81.4 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.008 179.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.555 ' HB3' ' O ' ' A' ' 98' ' ' GLY . 5.8 t70 79.21 -40.06 0.23 Allowed 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.624 0.769 . . . . 0.0 111.108 -178.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -92.06 21.56 4.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.82 0.343 . . . . 0.0 110.95 177.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.575 ' HB3' ' O ' ' A' ' 95' ' ' GLY . 12.3 p-10 -85.05 -19.41 32.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.463 177.402 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.428 ' HG3' ' H ' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -85.09 -116.67 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 172.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.428 ' H ' ' HB2' ' A' ' 102' ' ' GLU . 0.1 OUTLIER 45.0 43.86 7.61 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.162 0.506 . . . . 0.0 111.553 175.819 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.6 mt -102.73 -3.47 26.42 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.937 -176.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.646 HG23 HD21 ' A' ' 21' ' ' LEU . 17.6 mt -77.97 93.35 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-O 121.459 0.647 . . . . 0.0 110.971 -179.634 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.716 HG22 ' HD2' ' A' ' 22' ' ' TYR . 97.9 m -101.15 86.68 3.07 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 175.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.451 ' H ' ' HG3' ' A' ' 107' ' ' ARG . 0.0 OUTLIER -93.21 143.48 26.22 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.287 -171.15 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.498 ' HB2' ' CE2' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -138.94 103.93 4.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.61 178.741 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.562 ' HB2' ' HG2' ' A' ' 112' ' ' GLN . 1.5 mp0 -97.57 158.3 15.56 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.106 178.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.802 ' HB2' ' HB2' ' A' ' 18' ' ' ARG . 9.1 t-20 -59.3 107.56 0.58 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.817 -178.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 1.003 ' HB ' ' HA ' ' A' ' 115' ' ' ALA . 0.5 OUTLIER 71.33 -37.23 0.39 Allowed 'General case' 0 CA--C 1.538 0.519 0 O-C-N 123.778 0.674 . . . . 0.0 112.061 -177.537 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.562 ' HG2' ' HB2' ' A' ' 109' ' ' GLU . 2.1 mt-30 66.2 -85.35 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 123.485 0.714 . . . . 0.0 111.378 178.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -73.75 109.64 7.42 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 177.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 27.0 t0 62.46 63.05 1.06 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.591 -172.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 1.003 ' HA ' ' HB ' ' A' ' 111' ' ' THR . . . -62.08 132.77 53.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.118 -0.947 . . . . 0.0 111.674 -174.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -78.81 -44.66 22.63 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 175.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 30.2 t30 57.36 41.64 26.12 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.142 -0.936 . . . . 0.0 111.713 175.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -95.21 52.01 1.86 Allowed Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.558 -0.83 . . . . 0.0 111.562 176.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.436 ' O ' ' HD2' ' A' ' 18' ' ' ARG . 6.9 mt 72.55 -60.18 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 123.303 0.641 . . . . 0.0 110.802 -175.445 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -127.73 171.71 11.46 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 173.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.455 ' N ' HD21 ' A' ' 110' ' ' ASN . 1.1 t70 -81.72 91.98 6.54 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.053 0.454 . . . . 0.0 110.726 -178.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.398 -0.811 . . . . 0.0 110.477 -177.933 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.829 0 N-CA-C 111.927 -0.469 . . . . 0.0 111.927 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.451 ' HB2' ' H ' ' A' ' 3' ' ' LEU . 3.0 m 52.57 -106.07 0.27 Allowed 'General case' 0 C--O 1.234 0.258 0 C-N-CA 122.825 0.45 . . . . 0.0 111.282 179.152 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.451 ' H ' ' HB2' ' A' ' 2' ' ' SER . 0.1 OUTLIER 69.15 138.07 0.04 OUTLIER 'General case' 0 C--O 1.234 0.238 0 C-N-CA 123.282 0.633 . . . . 0.0 111.885 176.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.2 m -69.14 121.03 15.93 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 173.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.534 ' HB2' ' HE3' ' A' ' 14' ' ' LYS . 1.7 p-90 -60.43 127.6 32.55 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.345 0.593 . . . . 0.0 111.116 -172.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.35 116.2 25.28 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.494 -178.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.41 ' HD3' ' O ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -102.96 139.93 37.88 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.754 0.312 . . . . 0.0 110.788 -175.782 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.597 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -89.65 141.23 28.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.866 -177.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.86 7.85 41.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.599 -177.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.919 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -108.91 -69.13 0.64 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.422 -0.894 . . . . 0.0 111.882 178.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.439 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -86.83 -7.83 57.87 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 171.062 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.597 ' HA2' ' O ' ' A' ' 8' ' ' CYS . . . 62.44 59.24 9.66 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 121.301 -0.476 . . . . 0.0 113.223 172.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -132.31 -160.7 9.75 Favored Glycine 0 N--CA 1.428 -1.848 0 C-N-CA 120.5 -0.857 . . . . 0.0 111.314 176.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.534 ' HE3' ' HB2' ' A' ' 5' ' ' TRP . 20.9 tttt -101.66 118.5 37.07 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-N 115.078 -0.561 . . . . 0.0 110.385 179.482 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.683 HG23 ' CD2' ' A' ' 29' ' ' HIS . 0.1 OUTLIER -97.9 91.47 2.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.456 178.084 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.66 27.42 3.46 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.54 0.686 . . . . 0.0 109.575 176.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.18 152.16 20.58 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.477 -177.411 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.454 HH11 ' HB2' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -78.87 -33.68 45.58 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.673 0.749 . . . . 0.0 109.306 176.376 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.699 ' HA ' ' HB3' ' A' ' 109' ' ' GLU . 0.6 OUTLIER -88.12 97.26 10.89 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.675 -1.148 . . . . 0.0 109.76 179.299 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.724 ' O ' ' HA ' ' A' ' 108' ' ' LEU . 0.0 OUTLIER -159.27 159.03 33.6 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 120.337 -0.545 . . . . 0.0 111.296 -177.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.629 HD13 HD21 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -109.09 156.33 19.92 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.173 0.511 . . . . 0.0 111.433 -176.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.456 ' N ' ' CD1' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -132.11 131.61 42.5 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.252 178.363 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -153.19 134.24 14.04 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.899 -0.137 . . . . 0.0 111.046 178.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.541 ' HG3' HG21 ' A' ' 51' ' ' THR . 69.0 mmm 64.12 35.63 10.22 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 123.574 0.546 . . . . 0.0 111.067 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.84 23.55 11.41 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.943 -176.005 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.27 145.17 50.12 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.265 -0.88 . . . . 0.0 108.736 174.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.434 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 6.5 m-85 -101.77 159.43 15.33 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-O 120.793 0.33 . . . . 0.0 110.447 -175.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.717 ' HE3' ' HB2' ' A' ' 32' ' ' CYS . 18.1 m95 -141.11 166.26 25.26 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.199 -174.197 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.797 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 52.2 m80 -86.73 -126.58 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 170.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.1 m -109.01 -41.1 4.81 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.902 173.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.7 1.32 43.28 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -170.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.919 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 0.0 OUTLIER -78.85 -46.24 19.04 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 122.026 -0.421 . . . . 0.0 111.369 -177.179 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.629 HD21 HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -93.3 121.63 34.87 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.363 0.601 . . . . 0.0 110.082 178.221 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.542 ' HG3' ' HA ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -165.33 165.96 19.03 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.967 -1.015 . . . . 0.0 108.737 -175.13 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.635 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 43.2 t -61.99 143.0 57.15 Favored 'General case' 0 N--CA 1.443 -0.791 0 O-C-N 123.291 0.37 . . . . 0.0 110.052 178.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.97 -24.33 65.14 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.771 178.389 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.69 -46.25 3.85 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.635 ' HB2' ' HB3' ' A' ' 35' ' ' CYS . 96.9 m -71.1 -39.71 71.95 Favored 'General case' 0 CA--C 1.521 -0.137 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.628 -179.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.542 ' HA ' ' HG3' ' A' ' 34' ' ' LYS . 76.0 mm-40 62.29 25.29 15.1 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.707 -178.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.417 ' O ' ' HB2' ' A' ' 34' ' ' LYS . . . -100.73 157.12 16.93 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.823 177.174 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.81 103.55 0.36 Allowed 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.689 -179.092 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 42' ' ' LEU . 3.8 mt -70.85 -1.64 12.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.678 -176.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -109.84 6.71 31.22 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.692 -0.766 . . . . 0.0 111.797 176.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -111.12 -58.8 2.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.035 0.445 . . . . 0.0 111.2 -177.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -82.32 49.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.24 0.543 . . . . 0.0 111.051 -179.095 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 100.6 112.55 3.48 Favored Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -175.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.703 HG22 HG21 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -77.99 105.3 9.1 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.299 0.571 . . . . 0.0 111.176 -174.042 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.71 158.72 35.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.348 178.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.55 ' O ' ' HA ' ' A' ' 102' ' ' GLU . 0.1 OUTLIER -149.9 154.88 39.06 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.733 0.301 . . . . 0.0 110.95 -177.553 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.528 ' HE2' ' HA ' ' A' ' 59' ' ' ARG . 5.2 m-85 -137.4 104.89 5.5 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.94 178.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.541 HG21 ' HG3' ' A' ' 24' ' ' MET . 0.2 OUTLIER -98.15 102.55 14.32 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.042 -177.615 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -155.04 138.8 16.17 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.649 178.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.3 m 62.88 28.35 16.34 Favored 'General case' 0 C--N 1.332 -0.173 0 O-C-N 123.473 0.483 . . . . 0.0 111.438 -178.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.95 18.08 66.17 Favored Glycine 0 C--N 1.332 0.344 0 C-N-CA 120.92 -0.657 . . . . 0.0 111.965 -177.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.2 mtm -115.54 170.35 8.49 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.827 0.346 . . . . 0.0 110.652 -176.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.421 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 0.8 OUTLIER -136.39 116.73 17.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.055 177.554 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 mt -127.33 168.7 14.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.118 -173.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.658 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 26.2 p -87.76 178.97 6.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.918 175.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.528 ' HA ' ' HE2' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -61.25 -49.54 76.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.804 0.335 . . . . 0.0 110.708 178.722 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -65.43 -44.35 87.63 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.059 -178.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.658 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 0.6 OUTLIER -71.42 -31.84 67.7 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.625 -176.669 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.51 ' OH ' ' HA3' ' A' ' 98' ' ' GLY . 54.4 t80 -61.17 -38.33 86.11 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.017 0.437 . . . . 0.0 110.142 175.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.647 HD12 ' HB2' ' A' ' 68' ' ' ASN . 10.6 mm -68.68 -27.14 34.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.704 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.404 ' HE ' ' HA ' ' A' ' 61' ' ' ASP . 0.8 OUTLIER -80.71 -29.63 36.39 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.47 175.863 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.31 -53.88 6.82 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.958 -178.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -121.95 -43.96 2.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.079 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.21 -169.18 13.39 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.523 -0.846 . . . . 0.0 113.117 177.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.647 ' HB2' HD12 ' A' ' 63' ' ' ILE . 0.2 OUTLIER -172.4 106.55 0.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 -179.188 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.547 ' HB2' ' HA3' ' A' ' 76' ' ' GLY . 0.0 OUTLIER -76.61 -3.28 36.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.899 0.38 . . . . 0.0 111.574 -174.323 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 136.21 -143.85 15.41 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.182 178.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -157.52 154.43 28.62 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.768 0.318 . . . . 0.0 110.583 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 98.72 32.48 5.93 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.302 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.693 ' HA3' ' HB3' ' A' ' 93' ' ' MET . . . 151.12 160.5 9.47 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.672 -0.775 . . . . 0.0 111.802 -179.348 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.96 162.71 16.72 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.822 0.344 . . . . 0.0 111.088 -178.211 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.445 ' HA2' HG23 ' A' ' 87' ' ' VAL . . . 82.54 -107.45 2.84 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 121.113 -0.565 . . . . 0.0 112.477 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.547 ' HA3' ' HB2' ' A' ' 69' ' ' SER . . . 111.46 169.89 18.82 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.371 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -146.47 -35.68 0.26 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.627 0.251 . . . . 0.0 110.452 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 27.2 tpp -164.59 120.64 1.5 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.43 179.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -152.93 -122.1 0.9 Allowed Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.125 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.46 -45.5 45.81 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.888 0.375 . . . . 0.0 110.972 -178.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.443 ' HA3' ' CG2' ' A' ' 63' ' ' ILE . . . -160.98 157.62 29.15 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.086 179.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 122.83 -138.47 11.79 Favored Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 120.589 -0.815 . . . . 0.0 111.686 -178.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -169.43 -164.19 0.44 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.625 0.25 . . . . 0.0 110.346 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.401 ' H ' HG22 ' A' ' 84' ' ' VAL . 1.2 m -72.33 -16.85 18.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.189 177.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 6.8 tpt -121.26 87.82 2.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.75 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.07 -40.43 4.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.358 177.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.545 HG13 ' HE1' ' A' ' 97' ' ' PHE . 0.0 OUTLIER -145.19 173.25 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.798 177.23 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -62.74 128.76 41.09 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.606 -0.807 . . . . 0.0 111.841 177.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 66.52 96.35 0.05 OUTLIER Pre-proline 0 C--O 1.235 0.31 0 CA-C-O 121.267 0.556 . . . . 0.0 111.015 -177.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -76.79 67.17 7.44 Favored 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 123.307 2.671 . . . . 0.0 112.406 -178.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.8 m -63.05 120.52 11.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.611 178.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.5 ' H ' ' HG ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -83.26 56.92 3.72 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.067 0.461 . . . . 0.0 110.84 -177.165 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.693 ' HB3' ' HA3' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -104.35 -40.13 6.21 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.903 -179.161 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -161.84 -77.56 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.66 178.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.525 ' HA3' ' HB2' ' A' ' 69' ' ' SER . . . 129.53 44.27 0.19 Allowed Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.736 177.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.421 ' HA ' ' OD1' ' A' ' 99' ' ' ASP . 0.3 OUTLIER -61.26 119.16 7.92 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 178.539 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.6 ' HB3' ' HA ' ' A' ' 68' ' ' ASN . 1.6 t80 -149.15 41.96 0.92 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.3 -174.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.51 ' HA3' ' OH ' ' A' ' 62' ' ' TYR . . . 95.6 18.77 31.67 Favored Glycine 0 C--N 1.319 -0.411 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.167 179.329 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.421 ' OD1' ' HA ' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -57.02 -56.56 20.15 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.838 0.351 . . . . 0.0 110.865 179.134 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -91.83 35.67 0.97 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.991 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -87.41 -10.43 52.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.17 0.509 . . . . 0.0 110.077 177.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.55 ' HA ' ' O ' ' A' ' 49' ' ' SER . 0.0 OUTLIER -77.94 -152.48 0.05 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.1 -178.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.514 ' H ' ' HB2' ' A' ' 102' ' ' GLU . 0.1 OUTLIER 54.88 43.5 29.86 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.32 0.581 . . . . 0.0 110.346 -178.452 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.56 -6.22 15.45 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.547 -175.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.703 HG21 HG22 ' A' ' 47' ' ' THR . 6.2 mt -84.58 122.11 37.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 120.974 0.416 . . . . 0.0 111.49 -177.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.08 108.52 20.35 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 167.369 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.61 163.25 27.38 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 114.584 1.327 . . . . 0.0 114.584 -163.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.798 ' H ' HD13 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -63.66 -163.88 0.01 OUTLIER 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 111.373 -2.649 . . . . 0.0 112.877 -177.051 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.699 ' HB3' ' HA ' ' A' ' 19' ' ' PHE . 16.3 pm0 -52.58 157.81 1.45 Allowed 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 113.85 -1.523 . . . . 0.0 113.845 -166.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.84 -26.63 68.25 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 113.525 -1.67 . . . . 0.0 110.584 175.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.545 ' HA ' ' O ' ' A' ' 114' ' ' ASP . 1.5 m -71.81 2.88 4.75 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.232 -0.895 . . . . 0.0 112.069 -178.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.499 HE21 ' HB2' ' A' ' 112' ' ' GLN . 0.0 OUTLIER -74.54 -19.37 60.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.104 0.478 . . . . 0.0 109.932 174.768 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.34 -76.58 0.41 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.693 176.457 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.545 ' O ' ' HA ' ' A' ' 111' ' ' THR . 2.1 t0 -115.78 169.34 9.29 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.327 173.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.476 ' HA ' ' CG2' ' A' ' 111' ' ' THR . . . -80.53 51.16 1.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.227 0.537 . . . . 0.0 111.433 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -101.47 151.6 21.75 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.67 176.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -86.6 113.34 22.41 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 175.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -68.82 136.62 29.37 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.824 -175.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.466 ' H ' HG13 ' A' ' 119' ' ' ILE . 1.0 OUTLIER -117.18 -16.97 7.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.755 0.312 . . . . 0.0 110.976 178.865 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.15 -31.51 58.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.171 0.51 . . . . 0.0 110.177 179.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.59 160.42 23.82 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.67 173.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.251 1.132 0 CA-C-O 118.338 -0.839 . . . . 0.0 110.553 -179.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.825 0 N-CA-C 112.031 -0.428 . . . . 0.0 112.031 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.523 ' HB3' ' HD2' ' A' ' 6' ' ' LYS . 0.7 OUTLIER -97.25 -31.31 12.49 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.724 0.262 . . . . 0.0 110.591 179.341 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.482 ' HB3' ' H ' ' A' ' 4' ' ' SER . 0.2 OUTLIER 58.44 -147.44 0.5 Allowed 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.845 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.482 ' H ' ' HB3' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -77.84 -35.1 51.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.418 0.628 . . . . 0.0 110.342 179.504 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.72 ' HZ3' ' H ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -146.83 119.79 8.75 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.765 -179.655 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.523 ' HD2' ' HB3' ' A' ' 2' ' ' SER . 0.0 OUTLIER -80.19 67.73 6.1 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 175.229 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.596 ' H ' ' HD3' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -64.82 -174.15 0.13 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.521 -1.218 . . . . 0.0 112.424 -173.073 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.545 ' HB2' HG12 ' A' ' 15' ' ' ILE . 8.1 t -56.75 147.17 23.66 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.412 0.625 . . . . 0.0 111.375 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -116.26 12.09 15.29 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.398 174.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.607 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -103.18 -31.47 5.0 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.447 -0.797 . . . . 0.0 113.13 -176.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.1 p -123.1 -115.26 0.3 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 117.126 0.463 . . . . 0.0 111.789 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -96.28 -53.66 1.45 Allowed Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.885 -0.598 . . . . 0.0 113.19 -175.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -174.26 -105.78 0.19 Allowed Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 119.891 -1.147 . . . . 0.0 113.611 -177.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -55.3 138.05 46.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.299 0.571 . . . . 0.0 111.893 -173.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.72 ' H ' ' HZ3' ' A' ' 5' ' ' TRP . 8.7 mt -90.89 130.87 39.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.957 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.84 -0.91 53.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.836 -174.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.445 ' HA ' HD22 ' A' ' 117' ' ' ASN . 5.2 m-20 -79.17 156.48 28.2 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 176.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.0 ttp-105 -70.33 -31.98 69.51 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 175.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.689 ' HB2' ' HG2' ' A' ' 109' ' ' GLU . 6.2 m-85 -119.41 -153.06 0.52 Allowed 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 114.216 -1.356 . . . . 0.0 108.425 174.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.693 ' HG ' ' HB3' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -158.99 -179.03 7.68 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.215 0.531 . . . . 0.0 112.142 178.183 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.882 HD22 HD13 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -105.2 152.45 22.82 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 170.409 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.464 ' CD2' ' CE1' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -118.09 126.79 52.94 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.42 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.463 ' HB2' HD11 ' A' ' 33' ' ' LEU . . . -152.41 130.91 12.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 123.179 0.3 . . . . 0.0 111.018 178.089 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.0 mtt 59.93 38.4 21.06 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.043 -179.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 65.15 8.06 4.55 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.999 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.07 163.73 15.2 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 175.33 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.693 ' HB3' ' HG ' ' A' ' 20' ' ' LEU . 12.5 m-30 -102.54 148.37 25.63 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.47 ' CB ' HD12 ' A' ' 33' ' ' LEU . 35.7 m95 -136.26 175.19 9.83 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.229 -170.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.703 ' HB2' ' HB2' ' A' ' 32' ' ' CYS . 3.2 m80 -88.11 173.21 8.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.542 -1.208 . . . . 0.0 108.678 168.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.57 -45.56 37.06 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.191 0.519 . . . . 0.0 110.061 174.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.539 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 9.0 ttt-85 -83.69 -16.3 45.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.717 -177.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.703 ' HB2' ' HB2' ' A' ' 29' ' ' HIS . 34.6 m -79.76 -20.08 47.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.993 0.425 . . . . 0.0 110.402 178.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.882 HD13 HD22 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -88.76 25.22 1.81 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.186 173.864 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.587 ' HD3' ' H ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -67.44 165.88 15.73 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.605 178.072 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.576 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 43.9 t -64.35 138.5 58.46 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.699 174.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.7 m -76.86 -4.09 41.94 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.19 0.519 . . . . 0.0 109.877 175.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.2 -43.09 3.25 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.29 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.576 ' HB2' ' HB3' ' A' ' 35' ' ' CYS . 96.2 m -85.52 -31.05 22.94 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.431 0.158 . . . . 0.0 110.95 178.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 63.46 19.87 11.93 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.347 -172.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.52 141.7 33.01 Favored 'General case' 0 N--CA 1.437 -1.108 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.713 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.504 ' HG2' ' HA ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -55.18 109.91 0.6 Allowed 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 114.357 -1.292 . . . . 0.0 111.01 -177.525 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.671 ' O ' HG12 ' A' ' 45' ' ' ILE . 0.3 OUTLIER -76.36 -21.99 55.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.792 -178.435 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.93 -26.55 74.2 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.544 -0.836 . . . . 0.0 111.821 175.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -61.16 -30.0 70.13 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 122.695 0.398 . . . . 0.0 111.521 -179.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.671 HG12 ' O ' ' A' ' 42' ' ' LEU . 8.5 pt -79.34 -10.74 12.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.242 -179.327 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.58 10.47 67.01 Favored Glycine 0 C--N 1.331 0.28 0 CA-C-N 116.025 -0.534 . . . . 0.0 113.429 174.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.603 ' H ' HG13 ' A' ' 45' ' ' ILE . 0.3 OUTLIER -120.85 167.52 12.44 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.456 ' HA ' ' HB ' ' A' ' 105' ' ' ILE . 2.9 m -78.43 152.99 31.86 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.5 0.667 . . . . 0.0 111.828 -177.362 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.553 ' HB3' HD23 ' A' ' 42' ' ' LEU . 2.8 p -97.97 -179.62 4.47 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.543 -176.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.573 ' HE2' ' HD3' ' A' ' 59' ' ' ARG . 15.9 m-85 -120.02 143.85 47.85 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.144 176.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -120.04 114.08 21.47 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.488 -175.431 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.427 ' O ' ' HG2' ' A' ' 55' ' ' MET . 2.2 tttp -155.73 145.41 21.19 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 175.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.2 m 65.0 19.87 11.97 Favored 'General case' 0 N--CA 1.464 0.273 0 O-C-N 123.571 0.544 . . . . 0.0 111.207 -177.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 70.42 11.44 68.13 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.123 -178.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.427 ' HG2' ' O ' ' A' ' 52' ' ' LYS . 2.6 ptp -112.67 166.61 11.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.874 0.369 . . . . 0.0 110.307 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.8 mm -104.5 123.69 58.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.074 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -113.18 142.68 45.5 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -177.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.659 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 28.5 p -80.56 165.23 22.29 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 169.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.573 ' HD3' ' HE2' ' A' ' 50' ' ' TYR . 7.6 tpp180 -59.31 -42.57 91.67 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.974 0.416 . . . . 0.0 110.278 -179.217 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.421 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -63.13 -47.98 80.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.883 178.688 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.659 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 17.2 m-20 -73.07 -33.62 65.76 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-O 120.569 0.223 . . . . 0.0 111.444 -175.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -58.41 -37.7 75.88 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.951 177.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.482 HG12 ' CE1' ' A' ' 97' ' ' PHE . 95.0 mt -66.35 -41.32 88.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.397 179.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 64' ' ' ARG . 10.6 mtp-105 -68.4 -30.54 69.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.997 0.427 . . . . 0.0 110.679 177.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.423 ' HB3' ' CD2' ' A' ' 66' ' ' PHE . 1.1 mm? -84.68 -59.6 2.31 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.739 -174.466 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.423 ' CD2' ' HB3' ' A' ' 65' ' ' LEU . 3.5 m-85 -134.32 -36.83 0.88 Allowed 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -174.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.548 ' HA2' ' HB2' ' A' ' 96' ' ' GLU . . . -65.95 90.29 0.13 Allowed Glycine 0 C--N 1.33 0.233 0 O-C-N 123.356 0.41 . . . . 0.0 114.0 -173.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.455 HD22 HG23 ' A' ' 63' ' ' ILE . 0.8 OUTLIER -179.11 -72.24 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.435 0.636 . . . . 0.0 109.856 176.699 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.0 m -156.38 44.93 0.42 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.167 -0.924 . . . . 0.0 108.992 177.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -114.86 -65.26 0.41 Allowed Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.958 -175.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.553 ' H ' ' HG2' ' A' ' 96' ' ' GLU . . . 59.21 -152.85 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 122.57 0.348 . . . . 0.0 111.053 -178.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -86.82 -41.75 6.64 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.269 177.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -143.5 173.36 24.48 Favored Glycine 0 N--CA 1.445 -0.763 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 176.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.436 ' HB2' ' H ' ' A' ' 75' ' ' GLY . 2.1 m 55.9 -105.21 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 122.476 0.31 . . . . 0.0 110.635 -177.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.436 ' H ' ' HB2' ' A' ' 74' ' ' SER . . . -156.13 -176.59 28.42 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.016 176.337 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -96.45 145.5 17.86 Favored Glycine 0 N--CA 1.448 -0.53 0 N-CA-C 111.497 -0.641 . . . . 0.0 111.497 178.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -160.18 35.06 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.69 0.281 . . . . 0.0 110.722 -175.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.582 ' HB2' ' HA3' ' A' ' 95' ' ' GLY . 9.9 tpt -90.24 -61.28 1.72 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.856 0.36 . . . . 0.0 110.815 -177.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 172.41 -151.23 14.0 Favored Glycine 0 N--CA 1.439 -1.113 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 56.8 m 54.11 39.81 31.03 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.95 0.405 . . . . 0.0 111.342 178.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.11 -112.33 3.48 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.125 -178.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.3 -76.76 2.17 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.15 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -137.88 155.09 49.32 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 176.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.4 t -66.59 -50.51 65.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.141 0.496 . . . . 0.0 110.651 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.9 ttm -120.71 95.58 4.77 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.489 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 15.6 m -85.16 39.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.251 0.548 . . . . 0.0 111.063 179.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.444 HG22 ' H ' ' A' ' 87' ' ' VAL . 0.0 OUTLIER -70.76 156.07 7.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.895 178.824 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 114.54 -35.72 4.3 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.793 -0.717 . . . . 0.0 111.741 -178.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -128.39 91.07 44.99 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 120.721 0.296 . . . . 0.0 110.403 177.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -79.14 -4.4 13.81 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 123.028 2.485 . . . . 0.0 112.343 -178.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.38 84.15 6.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.38 77.94 9.72 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.107 0.479 . . . . 0.0 110.486 -179.371 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -111.57 23.91 13.38 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.713 -177.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 127.86 -172.97 18.92 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.946 -0.645 . . . . 0.0 111.56 -177.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.582 ' HA3' ' HB2' ' A' ' 78' ' ' MET . . . 176.54 -164.62 34.43 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.226 179.341 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.553 ' HG2' ' H ' ' A' ' 71' ' ' ALA . 0.0 OUTLIER -99.63 -47.22 5.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.087 0.47 . . . . 0.0 110.058 178.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.482 ' CE1' HG12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -69.63 135.04 49.44 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.005 177.602 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.44 -81.14 1.75 Allowed Glycine 0 N--CA 1.445 -0.754 0 N-CA-C 110.34 -1.104 . . . . 0.0 110.34 -171.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.3 t0 64.32 155.01 0.06 Allowed 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.617 0.723 . . . . 0.0 112.713 171.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -100.26 -3.22 31.88 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.281 171.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.444 ' HB3' ' HD1' ' A' ' 50' ' ' TYR . 4.4 t0 -69.95 -17.03 63.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.601 -178.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.81 73.42 1.57 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.45 0.643 . . . . 0.0 109.742 176.243 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -172.5 29.1 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 -178.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.6 tp -101.5 -4.2 27.2 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.755 -1.111 . . . . 0.0 111.582 -172.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.688 HG23 HD21 ' A' ' 21' ' ' LEU . 16.1 mt -110.69 89.05 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.822 0.82 . . . . 0.0 110.828 177.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.461 ' O ' ' HD1' ' A' ' 22' ' ' TYR . 21.8 m -95.8 105.83 17.89 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.831 -1.077 . . . . 0.0 108.945 175.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.45 ' HB2' ' HG ' ' A' ' 21' ' ' LEU . 6.9 tpt180 -130.58 116.2 17.81 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.246 0.546 . . . . 0.0 111.551 -174.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.0 159.93 42.98 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.04 171.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.689 ' HG2' ' HB2' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -140.77 169.97 16.64 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 -176.265 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -49.05 101.55 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.528 0 O-C-N 123.517 0.51 . . . . 0.0 111.56 -177.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 57.03 26.95 12.56 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.575 -178.218 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -140.11 162.23 35.74 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.382 -179.415 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.441 ' HD1' ' HA ' ' A' ' 113' ' ' PHE . 2.6 m-30 -94.14 -40.02 10.26 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 175.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -146.75 104.0 3.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.333 -0.848 . . . . 0.0 109.779 175.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -84.25 161.84 20.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.79 0.329 . . . . 0.0 110.42 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.96 19.46 13.88 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.733 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.445 HD22 ' HA ' ' A' ' 17' ' ' ASP . 21.9 t-20 66.63 94.81 0.06 Allowed 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.093 -179.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -127.11 76.96 0.4 Allowed Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.029 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.436 ' H ' HG13 ' A' ' 119' ' ' ILE . 2.3 mt -70.27 116.38 11.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.0 0.429 . . . . 0.0 111.41 -177.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -128.38 -79.3 0.57 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 176.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.56 -42.78 17.89 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 172.26 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 . . . . . 0 C--O 1.252 1.2 0 CA-C-O 117.881 -1.057 . . . . 0.0 109.528 175.781 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.84 0 N-CA-C 111.732 -0.547 . . . . 0.0 111.732 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 54.11 38.35 28.9 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 122.903 0.481 . . . . 0.0 111.948 177.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.82 -31.9 40.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 0.0 110.852 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.532 ' HB2' ' HD2' ' A' ' 6' ' ' LYS . 0.7 OUTLIER -91.12 141.69 28.55 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.47 179.403 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.798 ' HE3' ' HD2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -75.05 -44.81 45.59 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.123 -178.354 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.694 ' HE2' ' CE1' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 69.99 165.78 0.28 Allowed 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.73 0.644 . . . . 0.0 110.882 -178.411 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.0 165.93 26.76 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.273 179.246 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.459 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 10.7 t -71.25 142.38 50.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.255 0.55 . . . . 0.0 111.762 -176.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -107.16 -0.15 22.96 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.352 172.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.885 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -92.07 -40.65 5.14 Favored Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.212 179.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.461 ' SG ' ' N ' ' A' ' 12' ' ' GLY . 26.4 p -120.14 -88.03 0.63 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.718 0.294 . . . . 0.0 110.413 175.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.461 ' N ' ' SG ' ' A' ' 11' ' ' CYS . . . 162.27 107.1 0.21 Allowed Glycine 0 N--CA 1.444 -0.775 0 N-CA-C 111.675 -0.57 . . . . 0.0 111.675 178.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 156.45 139.97 2.86 Favored Glycine 0 N--CA 1.437 -1.244 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -177.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.798 ' HD2' ' HE3' ' A' ' 5' ' ' TRP . 6.7 mmtp -60.75 131.91 52.21 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.56 HD12 ' HB3' ' A' ' 27' ' ' TYR . 1.1 mt -93.74 105.97 17.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.143 0.497 . . . . 0.0 111.75 -172.415 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.497 ' HB2' ' CH2' ' A' ' 5' ' ' TRP . . . -108.39 23.05 15.09 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.892 176.244 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.08 139.89 50.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.058 -178.105 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -68.9 -41.49 78.2 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 174.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.685 ' HA ' ' HG2' ' A' ' 109' ' ' GLU . 12.0 m-85 -112.3 107.87 16.86 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.008 178.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -143.75 154.07 43.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.399 0.618 . . . . 0.0 111.805 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.785 HD21 HG23 ' A' ' 105' ' ' ILE . 1.1 tt -113.37 148.86 34.96 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.111 -0.95 . . . . 0.0 108.921 177.398 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.636 ' HB2' ' O ' ' A' ' 26' ' ' SER . 27.7 p90 -151.8 157.26 41.71 Favored 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 119.988 -0.685 . . . . 0.0 112.017 179.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.86 160.53 41.27 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.085 -178.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 4.2 mtp 62.45 28.85 17.0 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 123.342 0.401 . . . . 0.0 111.056 177.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 69.93 -0.11 2.85 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.206 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.636 ' O ' ' HB2' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -110.08 157.55 19.22 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 176.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.694 ' CE1' ' HE2' ' A' ' 6' ' ' LYS . 6.7 m-30 -90.33 157.02 17.85 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.025 0.441 . . . . 0.0 110.377 179.133 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.53 ' CE3' ' HA ' ' A' ' 33' ' ' LEU . 61.5 m95 -142.91 173.9 11.14 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.756 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 35.5 m80 -103.19 158.45 16.31 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 164.489 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.74 -44.07 66.19 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -174.388 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.43 -4.51 45.02 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 121.253 -0.179 . . . . 0.0 111.372 179.353 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.885 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 20.1 m -79.64 -35.7 38.98 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 176.109 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.53 ' HA ' ' CE3' ' A' ' 28' ' ' TRP . 31.9 tp -68.32 -70.21 0.28 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 175.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.8 ' HG3' ' HA ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER 50.05 -174.13 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 115.028 -0.987 . . . . 0.0 113.277 172.117 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.617 ' HB3' ' HB2' ' A' ' 38' ' ' CYS . 51.5 t -98.34 143.25 29.01 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.002 175.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.7 m -74.53 -7.09 51.95 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.94 0.4 . . . . 0.0 110.404 177.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.491 ' HB2' ' OD2' ' A' ' 61' ' ' ASP . 0.1 OUTLIER -117.7 -43.68 2.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.273 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.617 ' HB2' ' HB3' ' A' ' 35' ' ' CYS . 93.8 m -79.86 -45.67 18.25 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.981 -0.288 . . . . 0.0 110.649 177.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.8 ' HA ' ' HG3' ' A' ' 34' ' ' LYS . 47.8 mt-30 65.71 18.97 11.34 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.068 -177.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.15 -154.54 0.48 Allowed 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.539 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.472 ' HB3' ' HB2' ' A' ' 44' ' ' ASP . 2.2 tp-100 -83.99 97.61 9.36 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.027 0.441 . . . . 0.0 110.244 178.371 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.44 HD12 HD11 ' A' ' 45' ' ' ILE . 19.8 tp -61.99 -25.3 67.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.191 -177.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -92.54 5.1 77.09 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.84 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.472 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . 11.5 t70 -100.51 -12.8 19.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.2 0.524 . . . . 0.0 110.912 -179.113 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.522 ' H ' HG13 ' A' ' 45' ' ' ILE . 0.4 OUTLIER -105.14 36.78 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.984 178.181 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 99.58 -144.12 16.85 Favored Glycine 0 N--CA 1.442 -0.946 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 -172.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.606 HG22 HG21 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -143.46 103.78 4.15 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.099 0.476 . . . . 0.0 110.475 174.278 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.8 m -159.85 140.83 12.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.93 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.53 ' OG ' HG13 ' A' ' 105' ' ' ILE . 0.1 OUTLIER -148.76 128.0 12.92 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.61 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.549 ' CE1' ' HA ' ' A' ' 59' ' ' ARG . 14.3 m-85 -109.7 104.14 13.08 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.256 -175.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.492 ' HA ' ' O ' ' A' ' 55' ' ' MET . 90.6 m -87.96 102.49 14.78 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.559 176.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -154.85 132.71 11.5 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.188 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.2 m 67.88 21.62 8.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.87 0.367 . . . . 0.0 110.748 -174.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 75.01 3.72 69.65 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.814 -0.708 . . . . 0.0 111.486 -175.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.492 ' O ' ' HA ' ' A' ' 51' ' ' THR . 19.7 mtm -94.6 164.13 13.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.817 0.341 . . . . 0.0 110.333 -179.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.448 HG21 HD11 ' A' ' 33' ' ' LEU . 2.7 mp -136.95 97.05 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.606 177.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.506 HD11 ' CE2' ' A' ' 66' ' ' PHE . 0.0 OUTLIER -111.4 -179.38 3.7 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.009 -175.885 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.495 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 12.5 p -87.35 174.86 8.29 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.871 175.063 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.549 ' HA ' ' CE1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -63.03 -38.0 89.43 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.974 0.416 . . . . 0.0 110.734 179.558 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -75.05 -43.31 54.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.426 -178.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.495 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 62.6 m-20 -70.3 -24.5 63.04 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.129 -177.329 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.427 ' HA ' HD13 ' A' ' 57' ' ' LEU . 60.4 t80 -60.05 -40.65 90.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.235 178.196 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.4 mm -67.83 -31.05 50.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.15 0.5 . . . . 0.0 110.56 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.7 ttm180 -72.92 -43.25 62.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.152 177.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.38 -57.7 3.73 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.2 -175.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.506 ' CE2' HD11 ' A' ' 57' ' ' LEU . 23.6 m-85 -118.95 -28.27 5.57 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -172.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.08 -89.89 1.51 Allowed Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.384 -0.912 . . . . 0.0 112.782 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.473 ' CG ' ' HB2' ' A' ' 99' ' ' ASP . 0.3 OUTLIER -165.14 149.54 8.88 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 -178.184 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -94.78 28.43 2.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.921 0.391 . . . . 0.0 111.137 -178.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.521 ' HA3' ' HG2' ' A' ' 93' ' ' MET . . . 81.46 39.72 12.05 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.687 177.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -111.57 170.41 8.15 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.913 0.387 . . . . 0.0 110.918 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.454 ' HA3' ' HB2' ' A' ' 96' ' ' GLU . . . 162.57 -137.87 5.06 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -179.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.27 -19.64 68.84 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 173.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.8 -28.15 68.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.182 0.515 . . . . 0.0 110.597 177.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 151.38 -158.97 28.0 Favored Glycine 0 N--CA 1.442 -0.923 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.922 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -121.52 -171.86 14.22 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.986 178.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -166.1 61.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.809 0.337 . . . . 0.0 110.381 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 56.56 46.05 21.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.358 -176.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -167.14 43.17 0.25 Allowed Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.633 -178.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.0 m 66.89 176.26 0.24 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.907 0.384 . . . . 0.0 110.72 -176.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 97.97 -45.54 1.68 Allowed Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.398 -0.906 . . . . 0.0 111.902 -175.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 144.58 96.49 0.21 Allowed Glycine 0 N--CA 1.443 -0.866 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.774 178.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.46 46.6 1.16 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.012 0.434 . . . . 0.0 110.45 177.557 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.4 t -94.15 -47.19 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.946 -176.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.3 pmm? -81.36 -21.4 39.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.545 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.572 ' O ' ' HB ' ' A' ' 87' ' ' VAL . 0.2 OUTLIER -71.26 164.14 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.984 176.188 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.572 ' HB ' ' O ' ' A' ' 86' ' ' VAL . 24.3 t 79.17 -52.93 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 -173.088 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -74.75 -52.48 7.12 Favored Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 171.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -112.6 96.16 35.46 Favored Pre-proline 0 C--N 1.327 -0.408 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 173.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -69.68 -44.2 2.27 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.542 2.161 . . . . 0.0 112.911 -175.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.66 98.21 9.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.156 0.503 . . . . 0.0 111.44 -177.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -148.21 132.18 17.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.31 178.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.521 ' HG2' ' HA3' ' A' ' 70' ' ' GLY . 3.1 mtm -149.87 95.76 2.35 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.971 0.415 . . . . 0.0 111.324 -177.136 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -82.42 -79.82 0.98 Allowed Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.735 177.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 103.85 33.63 4.02 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.502 -0.856 . . . . 0.0 112.677 176.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.454 ' HB2' ' HA3' ' A' ' 72' ' ' GLY . 0.2 OUTLIER -101.65 30.34 4.38 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.645 0.26 . . . . 0.0 110.557 178.187 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.415 ' HD1' HD21 ' A' ' 68' ' ' ASN . 8.1 t80 55.2 68.04 0.92 Allowed 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 121.524 0.678 . . . . 0.0 110.486 -176.329 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -110.38 -3.52 29.15 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.635 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.473 ' HB2' ' CG ' ' A' ' 68' ' ' ASN . 0.2 OUTLIER -75.19 78.82 2.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.917 0.389 . . . . 0.0 111.017 -179.102 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.8 39.4 1.07 Allowed 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 175.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -73.27 46.59 0.19 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.906 -1.043 . . . . 0.0 112.383 -174.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.494 ' CD ' ' HD2' ' A' ' 103' ' ' ARG . 0.1 OUTLIER -100.71 -119.51 0.16 Allowed 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 174.665 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.494 ' HD2' ' CD ' ' A' ' 102' ' ' GLU . 3.9 mmm180 49.69 39.08 16.79 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 122.9 0.48 . . . . 0.0 111.301 177.316 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.33 -21.31 13.13 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.027 -178.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.785 HG23 HD21 ' A' ' 21' ' ' LEU . 11.5 mt -64.85 108.15 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.728 0.775 . . . . 0.0 110.321 178.084 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.02 126.0 54.34 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.156 179.016 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -133.23 119.13 19.44 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 120.909 0.385 . . . . 0.0 110.679 -175.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.8 tp -142.48 102.72 4.13 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.895 176.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.685 ' HG2' ' HA ' ' A' ' 19' ' ' PHE . 40.6 mt-10 -82.06 162.67 22.48 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.432 -179.136 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -72.18 126.14 29.05 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 174.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.675 ' HB ' ' HA3' ' A' ' 118' ' ' GLY . 0.2 OUTLIER 73.2 20.69 3.27 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.121 -175.313 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.651 ' HB2' ' HB2' ' A' ' 109' ' ' GLU . 1.7 tt0 -89.39 51.19 2.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.308 0.575 . . . . 0.0 110.043 175.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.519 ' CE2' ' HA ' ' A' ' 111' ' ' THR . 6.4 m-85 -97.06 101.03 12.52 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.219 178.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.476 ' HB3' ' O ' ' A' ' 113' ' ' PHE . 6.1 t0 74.72 -65.35 0.35 Allowed 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.885 0.74 . . . . 0.0 110.348 -173.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -80.97 132.47 35.39 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.463 175.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.43 ' HA ' ' CG ' ' A' ' 112' ' ' GLN . . . -89.62 169.89 10.94 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.71 -179.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 59.73 62.58 1.68 Allowed 'General case' 0 C--O 1.234 0.282 0 O-C-N 123.527 0.517 . . . . 0.0 110.07 -179.199 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.675 ' HA3' ' HB ' ' A' ' 111' ' ' THR . . . -62.45 126.86 38.68 Favored Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.983 -175.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 6.5 mt 58.33 71.2 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 121.328 0.585 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -70.45 114.14 8.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.265 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -121.77 124.39 44.08 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.836 0.35 . . . . 0.0 111.247 -176.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 . . . . . 0 C--O 1.251 1.139 0 CA-C-O 118.404 -0.808 . . . . 0.0 109.543 176.888 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.754 0 N-CA-C 111.728 -0.549 . . . . 0.0 111.728 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.31 79.86 1.34 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.191 0.52 . . . . 0.0 110.557 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.7 mt -90.39 5.95 45.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.648 -177.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.64 94.05 0.75 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.663 179.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.663 ' HZ3' ' HG2' ' A' ' 14' ' ' LYS . 38.8 p-90 -79.88 -40.9 27.31 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 178.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.586 ' HG3' HD12 ' A' ' 15' ' ' ILE . 0.0 OUTLIER 49.47 140.1 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.732 1.613 . . . . 0.0 114.434 175.711 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.538 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -119.1 139.55 51.58 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.491 179.242 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.469 ' HB2' HG12 ' A' ' 15' ' ' ILE . 45.0 t -86.25 136.26 33.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.94 -174.421 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -103.36 3.2 34.95 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.917 175.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.668 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -83.01 -47.92 5.63 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.066 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.403 ' SG ' ' N ' ' A' ' 12' ' ' GLY . 11.6 p -103.3 -87.11 0.43 Allowed 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 175.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.403 ' N ' ' SG ' ' A' ' 11' ' ' CYS . . . 168.3 57.33 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.546 -0.835 . . . . 0.0 113.044 177.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -162.32 -150.21 5.91 Favored Glycine 0 N--CA 1.435 -1.378 0 C-N-CA 120.718 -0.753 . . . . 0.0 111.306 176.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.663 ' HG2' ' HZ3' ' A' ' 5' ' ' TRP . 2.0 mtmp? -101.28 156.43 17.45 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 115.343 -0.429 . . . . 0.0 110.137 177.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.586 HD12 ' HG3' ' A' ' 6' ' ' LYS . 1.0 OUTLIER -100.75 93.3 2.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 120.907 0.384 . . . . 0.0 110.462 177.032 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.67 27.58 2.29 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.354 0.597 . . . . 0.0 110.104 177.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.89 153.62 17.61 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.727 -177.109 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -76.36 -23.09 54.16 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.584 0.707 . . . . 0.0 109.654 176.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.641 ' HD1' ' HG2' ' A' ' 109' ' ' GLU . 37.2 m-85 -126.09 127.81 46.38 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.719 -179.112 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.461 HD21 ' CE2' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -151.3 176.46 11.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.69 0.281 . . . . 0.0 111.123 -178.4 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.685 HD11 HG23 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -128.83 151.72 49.28 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.969 0.414 . . . . 0.0 110.872 -178.304 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.631 ' HD2' ' CD1' ' A' ' 27' ' ' TYR . 1.1 m-85 -123.25 128.77 50.45 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 175.174 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.407 ' HB3' ' NE1' ' A' ' 28' ' ' TRP . . . -153.11 127.8 9.45 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.941 -0.304 . . . . 0.0 111.672 -177.456 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.426 ' HG3' HG21 ' A' ' 51' ' ' THR . 0.4 OUTLIER 62.22 43.59 8.37 Favored 'General case' 0 N--CA 1.466 0.359 0 O-C-N 123.644 0.59 . . . . 0.0 111.858 176.283 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 62.27 19.73 11.23 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.087 0.47 . . . . 0.0 111.072 -179.303 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.7 155.97 45.72 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 177.015 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.631 ' CD1' ' HD2' ' A' ' 22' ' ' TYR . 7.4 m-85 -109.45 153.07 24.55 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 -178.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.462 ' CD2' HD23 ' A' ' 33' ' ' LEU . 19.8 m95 -140.39 164.36 30.31 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.573 -173.118 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.581 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 10.0 m80 -83.33 166.41 18.49 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.097 169.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.82 -42.4 97.62 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.954 0.407 . . . . 0.0 110.425 175.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.455 ' HG2' ' OE1' ' A' ' 41' ' ' GLN . 0.3 OUTLIER -85.58 -19.91 30.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.595 -179.895 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.668 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 66.1 m -79.66 -21.37 44.87 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.329 -178.398 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.624 ' HG ' HD22 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -82.91 80.99 8.8 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.603 0.716 . . . . 0.0 109.664 173.398 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.662 ' HG3' ' HA ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -137.01 165.76 25.25 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.132 -176.374 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 50.3 t -62.27 146.49 50.81 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.619 179.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.02 -19.93 61.1 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.837 177.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.44 -46.83 3.76 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -178.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 59.3 m -86.17 -29.81 22.95 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -174.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.662 ' HA ' ' HG3' ' A' ' 34' ' ' LYS . 4.8 mp0 66.26 25.19 10.58 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 -168.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -85.49 132.08 34.26 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.687 179.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.534 ' HB3' ' HB3' ' A' ' 44' ' ' ASP . 1.6 tp60 -64.59 105.12 0.9 Allowed 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 114.71 -1.132 . . . . 0.0 110.75 -174.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.928 HD21 ' HA ' ' A' ' 58' ' ' CYS . 18.0 mt -67.08 -22.42 65.84 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.054 -177.366 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -91.91 7.0 79.43 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.207 177.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.534 ' HB3' ' HB3' ' A' ' 41' ' ' GLN . 24.3 t70 -113.7 -32.07 6.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.577 0.227 . . . . 0.0 110.716 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.433 ' HB ' ' CB ' ' A' ' 83' ' ' ASP . 34.0 pt -84.27 54.03 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.763 0.792 . . . . 0.0 110.122 175.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.73 ' HA2' ' HB3' ' A' ' 92' ' ' LEU . . . 87.83 -130.92 10.33 Favored Glycine 0 N--CA 1.441 -0.98 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.9 -174.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.0 m -143.04 102.1 3.94 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 174.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.6 m -161.61 158.21 25.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.821 0.344 . . . . 0.0 110.66 177.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.553 ' OG ' HG12 ' A' ' 105' ' ' ILE . 0.1 OUTLIER -166.29 138.99 3.91 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 175.417 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.409 ' O ' ' HA ' ' A' ' 56' ' ' ILE . 12.0 m-85 -118.76 117.13 28.07 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.803 -172.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.426 HG21 ' HG3' ' A' ' 24' ' ' MET . 0.2 OUTLIER -96.57 102.06 13.78 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.277 179.538 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -156.72 142.81 18.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.6 175.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.5 m 63.71 25.44 14.2 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 123.667 0.604 . . . . 0.0 111.573 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 69.94 13.02 68.99 Favored Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 111.856 -0.498 . . . . 0.0 111.856 -177.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 2.6 mtm -114.94 172.65 6.92 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.837 0.351 . . . . 0.0 110.567 -176.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.409 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 1.1 mm -126.27 92.5 2.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.531 -0.758 . . . . 0.0 109.508 176.084 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -85.93 161.84 18.84 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.061 0.458 . . . . 0.0 110.922 -176.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.928 ' HA ' HD21 ' A' ' 42' ' ' LEU . 6.0 p -80.73 -175.13 5.12 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.535 174.244 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.473 HH21 ' HA2' ' A' ' 81' ' ' GLY . 0.5 OUTLIER -84.1 3.28 35.45 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.004 0.43 . . . . 0.0 110.163 174.677 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -104.55 -49.04 3.64 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.238 0.542 . . . . 0.0 110.197 177.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.412 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 40.3 m-20 -69.48 -44.23 71.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.096 -177.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.494 ' HE2' ' HB3' ' A' ' 99' ' ' ASP . 69.2 t80 -53.57 -46.01 70.14 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.748 -175.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.456 ' H ' HG12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -73.17 -21.39 19.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.28 -176.467 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 64' ' ' ARG . 13.2 mtt180 -86.2 -25.03 25.86 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.074 0.464 . . . . 0.0 109.917 176.251 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 65' ' ' LEU . 0.2 OUTLIER -81.2 -61.87 1.82 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.696 179.918 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.55 -44.92 1.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.626 -178.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.444 ' CA ' ' HA ' ' A' ' 63' ' ' ILE . . . 50.51 -158.49 1.85 Allowed Glycine 0 CA--C 1.521 0.411 0 CA-C-N 115.89 -0.595 . . . . 0.0 113.828 177.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.648 ' HB3' ' HA ' ' A' ' 99' ' ' ASP . 20.9 t-20 174.82 -59.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 123.388 0.675 . . . . 0.0 109.596 176.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.2 p -167.21 -173.94 2.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.816 178.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -145.31 -179.96 21.98 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.007 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.894 ' HB3' ' HG2' ' A' ' 96' ' ' GLU . . . -123.55 -0.93 8.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.876 0.37 . . . . 0.0 111.09 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -167.63 -57.93 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.754 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.426 ' H ' ' CD ' ' A' ' 96' ' ' GLU . . . 80.06 -100.36 1.87 Allowed Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.74 -0.743 . . . . 0.0 111.878 -178.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.67 8.97 15.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 122.767 -0.255 . . . . 0.0 111.282 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -173.48 -166.5 31.89 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.086 -1.054 . . . . 0.0 112.956 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 83.46 -124.45 6.58 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 121.29 -0.481 . . . . 0.0 111.934 -178.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 10.0 p-80 -112.48 116.21 29.9 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 177.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 59.03 47.07 12.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.843 -178.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -72.32 94.19 0.63 Allowed Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.837 -0.696 . . . . 0.0 111.41 177.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.33 -45.27 4.52 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 121.284 -0.166 . . . . 0.0 111.278 -176.139 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.473 ' HA2' HH21 ' A' ' 59' ' ' ARG . . . 63.25 -124.65 32.44 Favored Glycine 0 N--CA 1.449 -0.45 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -176.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -94.12 41.95 2.55 Favored Glycine 0 N--CA 1.451 -0.318 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 170.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.433 ' CB ' ' HB ' ' A' ' 45' ' ' ILE . 12.2 t70 52.75 57.4 6.41 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 114.757 -0.722 . . . . 0.0 110.844 -172.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 69.6 t -98.14 -44.36 12.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.626 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.54 -4.98 59.32 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.88 174.317 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.413 ' HA ' ' OD1' ' A' ' 83' ' ' ASP . 51.6 t 71.28 116.69 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.422 179.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.414 HG21 ' HA3' ' A' ' 94' ' ' GLY . 5.6 p -64.72 120.72 12.25 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.382 -177.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -77.04 83.28 1.07 Allowed Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.169 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -145.14 132.32 10.16 Favored Pre-proline 0 C--N 1.321 -0.644 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -59.51 -24.65 75.85 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 123.308 2.672 . . . . 0.0 113.02 -177.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.8 6.57 13.21 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.001 0.429 . . . . 0.0 110.001 178.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.73 ' HB3' ' HA2' ' A' ' 46' ' ' GLY . 1.2 mp 58.06 26.4 13.54 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.792 -176.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.91 64.48 3.97 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.103 0.478 . . . . 0.0 110.625 -179.135 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.414 ' HA3' HG21 ' A' ' 87' ' ' VAL . . . -123.04 148.34 16.77 Favored Glycine 0 N--CA 1.443 -0.834 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.451 178.368 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -142.89 69.91 0.42 Allowed Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.872 -0.68 . . . . 0.0 111.627 -178.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.894 ' HG2' ' HB3' ' A' ' 71' ' ' ALA . 3.7 tm-20 -73.64 116.56 14.37 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 179.111 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -166.71 173.73 9.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.81 0.338 . . . . 0.0 110.944 -176.184 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -142.05 8.82 2.47 Favored Glycine 0 N--CA 1.449 -0.495 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 174.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.648 ' HA ' ' HB3' ' A' ' 68' ' ' ASN . 0.1 OUTLIER -84.9 -141.3 0.08 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.143 -0.528 . . . . 0.0 111.406 -175.875 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -101.83 -52.7 3.12 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 114.09 1.145 . . . . 0.0 114.09 -170.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -147.89 88.89 1.7 Allowed 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 -165.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.434 ' H ' ' HG3' ' A' ' 102' ' ' GLU . 1.7 pp20? -102.05 -161.77 0.88 Allowed 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.521 170.413 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.407 ' H ' ' HB2' ' A' ' 102' ' ' GLU . 0.0 OUTLIER 46.58 46.76 14.58 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.652 -0.704 . . . . 0.0 112.728 174.693 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.404 ' HB3' ' OG ' ' A' ' 49' ' ' SER . 19.7 tp -83.4 -0.28 49.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.584 0.707 . . . . 0.0 109.313 174.453 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.685 HG23 HD11 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -76.09 98.34 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.686 -179.305 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.42 ' HB ' ' HB2' ' A' ' 22' ' ' TYR . 1.2 m -103.61 121.82 43.72 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 171.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.32 139.28 44.19 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.383 0.611 . . . . 0.0 111.47 -173.469 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.21 103.93 3.9 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.0 177.111 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.641 ' HG2' ' HD1' ' A' ' 19' ' ' PHE . 2.5 mt-10 -73.49 154.28 39.98 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.349 -176.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -64.6 -46.29 83.3 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.429 -176.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.547 HG22 ' HB3' ' A' ' 114' ' ' ASP . 0.0 OUTLIER -124.43 54.38 1.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.128 -0.487 . . . . 0.0 112.232 -172.101 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.73 -68.61 0.63 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.812 0.339 . . . . 0.0 110.265 177.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -85.06 56.28 3.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.312 0.577 . . . . 0.0 109.463 175.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.547 ' HB3' HG22 ' A' ' 111' ' ' THR . 2.9 t70 -141.96 -165.03 1.92 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.297 -173.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.75 -19.45 50.32 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -178.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 111' ' ' THR . . . -82.37 -7.86 59.63 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.624 0.25 . . . . 0.0 111.482 -179.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -172.28 62.04 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.975 0.417 . . . . 0.0 110.137 178.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 138.21 -125.42 3.2 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.388 -176.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -126.22 144.96 34.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 O-C-N 122.654 -0.321 . . . . 0.0 111.197 -178.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.79 131.14 35.39 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 174.399 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 20.8 t70 61.92 -110.07 0.37 Allowed 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 -173.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 . . . . . 0 C--O 1.25 1.093 0 CA-C-O 117.791 -1.099 . . . . 0.0 109.183 174.832 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.788 0 N-CA-C 111.726 -0.55 . . . . 0.0 111.726 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.52 24.86 7.16 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.958 0.409 . . . . 0.0 110.412 -179.272 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.7 mt 61.39 31.64 19.14 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.247 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.47 1.47 57.1 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.628 179.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -79.03 165.84 22.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.661 -179.13 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.588 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 0.1 OUTLIER -114.02 123.15 48.98 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.912 0.386 . . . . 0.0 110.693 -179.84 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.51 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -127.89 137.58 52.37 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.228 177.615 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.436 ' SG ' ' HA ' ' A' ' 28' ' ' TRP . 12.7 t -85.95 151.16 23.97 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.387 -176.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -115.35 2.03 13.87 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.1 -0.954 . . . . 0.0 109.373 173.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.904 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -92.68 -50.81 2.44 Favored Glycine 0 N--CA 1.448 -0.565 0 CA-C-N 115.472 -0.785 . . . . 0.0 112.037 -179.409 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.6 p -98.37 -23.63 15.53 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.012 175.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.35 4.69 54.93 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.36 -0.836 . . . . 0.0 113.539 173.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.91 -150.74 17.49 Favored Glycine 0 N--CA 1.434 -1.453 0 C-N-CA 120.0 -1.095 . . . . 0.0 113.046 -178.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -102.63 142.34 33.96 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 114.63 -0.785 . . . . 0.0 110.55 -179.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.627 HG21 ' HB2' ' A' ' 20' ' ' LEU . 2.6 mt -101.3 95.43 3.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.724 0.297 . . . . 0.0 111.206 177.19 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -105.49 6.95 32.8 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.608 0.718 . . . . 0.0 109.227 173.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -80.42 150.95 29.59 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.84 -1.073 . . . . 0.0 110.302 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.5 tpm_? -67.75 -26.28 66.05 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.31 0.576 . . . . 0.0 111.207 -178.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -106.49 112.09 24.94 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.401 -175.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.627 ' HB2' HG21 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -145.25 170.4 16.35 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.142 0.496 . . . . 0.0 111.073 -177.12 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.886 HD21 HG23 ' A' ' 105' ' ' ILE . 0.4 OUTLIER -131.84 151.51 51.63 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.035 177.269 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.537 ' HD2' ' CD1' ' A' ' 27' ' ' TYR . 0.3 OUTLIER -123.22 118.08 26.79 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 173.611 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.496 ' HA ' ' O ' ' A' ' 104' ' ' LEU . . . -149.56 147.29 27.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.811 0.339 . . . . 0.0 111.666 -176.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.534 ' HG2' HG23 ' A' ' 51' ' ' THR . 1.5 mtp 54.82 39.02 31.22 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.267 176.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 64.58 30.73 12.64 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.249 0.547 . . . . 0.0 110.795 178.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -149.04 168.95 21.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.576 177.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.537 ' CD1' ' HD2' ' A' ' 22' ' ' TYR . 7.2 m-85 -110.34 149.82 29.66 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 178.389 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.444 ' CD2' HD23 ' A' ' 33' ' ' LEU . 18.7 m95 -144.9 178.15 8.23 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.749 -172.211 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.723 ' H ' ' HB2' ' A' ' 32' ' ' CYS . 23.7 m80 -100.62 173.94 6.3 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 168.097 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.41 -46.28 90.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.677 0.275 . . . . 0.0 111.418 -178.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.1 ttp85 -94.58 -9.08 36.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.292 -179.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.904 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 68.4 m -78.93 -31.89 45.37 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 177.07 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.444 HD23 ' CD2' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -80.82 74.67 7.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.482 174.484 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.443 ' H ' ' HG3' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -111.69 161.09 16.64 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.885 -179.899 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.768 ' HB3' ' H ' ' A' ' 39' ' ' GLN . 5.9 t -64.03 164.43 10.6 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.749 -178.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.5 m -92.28 -15.08 27.9 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.589 175.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.498 ' HB2' ' OD2' ' A' ' 61' ' ' ASP . 2.9 m -108.42 -72.11 0.73 Allowed 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 121.015 -0.274 . . . . 0.0 111.322 179.444 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 18.5 p -80.42 -22.15 41.47 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -174.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.768 ' H ' ' HB3' ' A' ' 35' ' ' CYS . 1.4 mp0 65.07 19.15 11.75 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.367 0.667 . . . . 0.0 111.818 -177.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.53 124.65 24.46 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-O 121.108 0.48 . . . . 0.0 109.894 177.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -51.39 103.67 0.06 Allowed 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 114.355 -1.293 . . . . 0.0 110.816 -176.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.654 HD23 HD11 ' A' ' 45' ' ' ILE . 2.1 mt -70.48 -20.2 62.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.966 -175.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.2 -33.42 49.41 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.355 -0.926 . . . . 0.0 111.762 176.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -76.79 -25.87 53.83 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -178.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.654 HD11 HD23 ' A' ' 42' ' ' LEU . 32.2 pt -79.7 -17.3 12.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.949 -179.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 62.5 45.9 94.92 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.535 176.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.05 179.83 6.51 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.413 ' HA ' ' HB ' ' A' ' 105' ' ' ILE . 0.0 OUTLIER -94.86 162.06 13.91 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.864 0.364 . . . . 0.0 111.351 -177.051 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.4 p -110.61 -174.76 2.55 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.423 175.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.567 ' HB2' ' HE3' ' A' ' 52' ' ' LYS . 34.5 m-85 -127.28 155.07 44.09 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 178.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.534 HG23 ' HG2' ' A' ' 24' ' ' MET . 0.2 OUTLIER -109.27 110.79 22.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.037 0.446 . . . . 0.0 111.697 178.861 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.791 ' HE2' HD12 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -156.73 134.01 10.58 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.663 174.569 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 m 60.03 11.7 2.8 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 123.667 0.605 . . . . 0.0 112.302 178.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 68.24 8.32 54.45 Favored Glycine 0 CA--C 1.52 0.402 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.437 -174.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.7 ttm -100.25 100.72 11.58 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 122.825 0.45 . . . . 0.0 110.517 -176.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 37.8 mt -63.12 121.02 11.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.248 -177.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.791 HD12 ' HE2' ' A' ' 52' ' ' LYS . 45.0 mt -125.54 157.87 35.99 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.0 178.197 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.593 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 10.0 p -79.02 173.56 12.45 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 174.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.476 ' HD3' ' OE2' ' A' ' 102' ' ' GLU . 0.3 OUTLIER -69.43 -15.67 63.33 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.01 0.433 . . . . 0.0 110.309 176.542 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -90.33 -49.61 6.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.801 179.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.593 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 17.8 m-20 -69.0 -26.25 64.92 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.728 -178.438 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.506 ' HD2' HD13 ' A' ' 63' ' ' ILE . 79.2 t80 -58.26 -40.59 82.22 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.018 175.06 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.654 HD12 ' HB3' ' A' ' 68' ' ' ASN . 10.4 mm -72.71 -25.75 22.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.705 179.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.453 ' HG3' ' HA ' ' A' ' 61' ' ' ASP . 6.5 mtt-85 -71.43 -40.83 70.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.943 178.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 33.5 mt -96.62 -49.74 4.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.144 -0.48 . . . . 0.0 112.284 -174.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.619 ' CZ ' ' HG3' ' A' ' 52' ' ' LYS . 16.3 m-85 -100.89 -41.56 6.79 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.851 0.358 . . . . 0.0 110.988 -174.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.81 160.15 36.29 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.862 178.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.679 ' HA ' ' HD2' ' A' ' 97' ' ' PHE . 39.8 t30 -166.25 154.81 10.86 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.326 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.471 ' HB3' ' O ' ' A' ' 91' ' ' THR . 0.8 OUTLIER -64.94 -58.26 6.59 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.838 -0.164 . . . . 0.0 110.917 -179.679 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 165.39 107.25 0.2 Allowed Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.142 -1.028 . . . . 0.0 113.422 177.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -95.67 -172.22 2.56 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 174.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.4 ' HA3' HG13 ' A' ' 84' ' ' VAL . . . -174.89 -177.75 44.23 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.357 179.011 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 94.71 150.6 27.27 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.375 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.48 66.64 3.26 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.33 0.586 . . . . 0.0 110.466 178.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 122.95 -92.81 0.47 Allowed Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 -173.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 154.65 104.59 0.23 Allowed Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.9 176.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.433 ' O ' ' HB3' ' A' ' 78' ' ' MET . 27.3 t-80 -71.16 83.51 0.73 Allowed 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.506 -0.183 . . . . 0.0 110.506 -178.32 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.433 ' HB3' ' O ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER 71.78 -61.56 0.49 Allowed 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.991 -177.351 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -126.21 111.35 1.42 Allowed Glycine 0 N--CA 1.441 -0.98 0 C-N-CA 121.032 -0.604 . . . . 0.0 111.64 177.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.92 -22.52 67.01 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.71 0.291 . . . . 0.0 111.383 -178.352 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.458 ' HA3' ' CG ' ' A' ' 96' ' ' GLU . . . -73.95 -23.26 76.73 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.671 -0.776 . . . . 0.0 111.563 176.353 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -106.22 18.83 38.5 Favored Glycine 0 N--CA 1.446 -0.7 0 N-CA-C 111.424 -0.67 . . . . 0.0 111.424 176.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -114.22 8.94 16.97 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.155 0.502 . . . . 0.0 110.315 -179.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.4 HG13 ' HA3' ' A' ' 72' ' ' GLY . 0.0 OUTLIER -107.66 -179.2 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.63 175.661 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -80.27 62.39 4.4 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.203 0.525 . . . . 0.0 110.213 178.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.515 ' HB ' ' HA3' ' A' ' 94' ' ' GLY . 2.8 p -103.91 109.88 28.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.668 -177.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.4 t -113.34 -40.28 3.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.262 0.554 . . . . 0.0 109.827 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -151.87 150.03 21.85 Favored Glycine 0 N--CA 1.444 -0.79 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.402 178.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 57.05 76.53 0.48 Allowed Pre-proline 0 C--N 1.328 -0.343 0 C-N-CA 122.783 0.433 . . . . 0.0 111.095 -178.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_endo -80.23 47.91 2.7 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.652 2.235 . . . . 0.0 112.062 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.471 ' O ' ' HB3' ' A' ' 69' ' ' SER . 0.3 OUTLIER -72.89 -42.97 63.04 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.063 -177.905 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.6 mt -128.49 -51.9 1.27 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.061 177.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.33 105.24 10.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.207 177.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.515 ' HA3' ' HB ' ' A' ' 86' ' ' VAL . . . 94.66 13.65 52.77 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.76 -0.733 . . . . 0.0 111.953 -176.676 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -102.03 105.59 2.84 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.865 178.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.458 ' CG ' ' HA3' ' A' ' 81' ' ' GLY . 0.7 OUTLIER -101.31 171.99 7.26 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.763 0.316 . . . . 0.0 110.455 179.038 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.679 ' HD2' ' HA ' ' A' ' 68' ' ' ASN . 0.2 OUTLIER -116.54 38.32 3.47 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.806 178.187 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 103.57 66.94 0.73 Allowed Glycine 0 N--CA 1.441 -0.971 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.085 -174.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.485 ' O ' ' HB2' ' A' ' 102' ' ' GLU . 56.3 p30 -74.94 2.49 10.27 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -176.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.2 mp0 -77.31 -19.7 56.02 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 172.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -78.2 -8.0 57.78 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.129 176.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.485 ' HB2' ' O ' ' A' ' 99' ' ' ASP . 2.1 mt-10 -77.66 -166.5 0.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.828 177.379 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 57.77 29.01 16.76 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.624 0.726 . . . . 0.0 109.94 -176.701 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.497 ' HG ' ' H ' ' A' ' 24' ' ' MET . 12.2 tp -84.08 -7.11 59.47 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.835 -1.075 . . . . 0.0 111.265 -175.011 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.886 HG23 HD21 ' A' ' 21' ' ' LEU . 15.5 mt -113.85 110.28 31.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.324 0.583 . . . . 0.0 110.842 -178.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.495 ' HB ' ' HD1' ' A' ' 22' ' ' TYR . 18.7 m -107.77 118.28 36.33 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.073 177.539 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.16 121.22 44.32 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.035 0.445 . . . . 0.0 111.606 -172.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.432 HD22 ' HA ' ' A' ' 108' ' ' LEU . 0.4 OUTLIER -103.52 108.86 20.29 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.602 173.702 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.38 132.3 50.18 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.506 -177.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -64.94 -31.33 72.52 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.482 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -93.28 -1.39 56.12 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.791 0.329 . . . . 0.0 111.337 -177.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -111.62 -49.78 2.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.774 0.321 . . . . 0.0 111.14 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -86.7 -73.8 0.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.986 -178.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -156.59 139.41 15.21 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -82.85 74.47 9.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.112 0.482 . . . . 0.0 110.519 -178.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -94.8 148.98 21.72 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.53 -178.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -107.53 121.81 45.39 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.884 178.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 86.4 -113.29 3.87 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.682 -0.77 . . . . 0.0 111.256 -174.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 2.7 tp -162.6 122.52 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.141 0.496 . . . . 0.0 110.742 177.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -102.35 -80.32 0.51 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.03 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -170.01 117.87 0.57 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.494 177.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 . . . . . 0 C--O 1.251 1.164 0 CA-C-O 118.739 -0.648 . . . . 0.0 110.309 -179.696 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.836 0 N-CA-C 111.636 -0.586 . . . . 0.0 111.636 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.503 ' HB3' ' HA ' ' A' ' 26' ' ' SER . 14.7 m -130.8 29.01 4.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.889 0.376 . . . . 0.0 111.228 -179.006 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.2 mt -115.49 57.21 0.74 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.141 0.496 . . . . 0.0 110.111 177.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.474 ' HB2' ' H ' ' A' ' 5' ' ' TRP . 0.2 OUTLIER -143.15 -153.5 0.47 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.137 -176.821 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.474 ' H ' ' HB2' ' A' ' 4' ' ' SER . 0.1 OUTLIER -85.61 103.62 14.6 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 120.966 -0.293 . . . . 0.0 111.416 -177.802 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 1.0 ' HA ' ' HD2' ' A' ' 27' ' ' TYR . 6.3 mptt 48.67 -104.95 0.14 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.141 178.237 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.415 ' NH2' ' HA ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER 65.7 92.85 0.07 Allowed 'General case' 0 C--N 1.319 -0.726 0 O-C-N 123.973 0.796 . . . . 0.0 110.743 177.614 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.456 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 27.2 t -63.01 130.35 44.32 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.643 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.415 ' HA ' ' NH2' ' A' ' 7' ' ' ARG . . . -88.06 -1.16 57.83 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.258 178.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.818 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -87.09 -54.42 2.6 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.217 179.573 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.6 p -105.09 -44.04 4.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.928 0.395 . . . . 0.0 110.693 178.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 110.19 106.45 2.98 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.705 -0.759 . . . . 0.0 111.995 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 153.93 149.76 5.3 Favored Glycine 0 N--CA 1.432 -1.597 0 C-N-CA 120.892 -0.67 . . . . 0.0 111.711 -178.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt -67.26 98.6 0.63 Allowed 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.557 HG22 ' HB2' ' A' ' 17' ' ' ASP . 4.1 mt -51.32 -72.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.015 -0.993 . . . . 0.0 112.07 -172.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 60.15 18.58 7.93 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.136 0.493 . . . . 0.0 111.78 -179.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.557 ' HB2' HG22 ' A' ' 15' ' ' ILE . 5.3 m-20 -85.63 162.32 18.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.167 179.295 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.626 ' C ' ' HB2' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -83.78 8.13 15.67 Favored 'General case' 0 C--O 1.214 -0.768 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.131 177.044 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.661 ' HA ' ' HB3' ' A' ' 108' ' ' LEU . 6.7 m-85 -153.22 111.94 3.72 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 122.016 -0.428 . . . . 0.0 110.901 175.57 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.795 ' O ' ' HA ' ' A' ' 108' ' ' LEU . 1.9 pp -155.51 145.97 21.96 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.881 178.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.825 HD22 HD22 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -92.89 142.38 27.38 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.985 -179.888 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.607 ' HD2' ' CD1' ' A' ' 27' ' ' TYR . 0.5 OUTLIER -113.23 127.59 56.21 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 171.65 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -150.18 135.69 18.19 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 121.252 -0.179 . . . . 0.0 111.043 -177.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 1.5 mmm 62.49 31.82 16.88 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.65 -178.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 61.69 13.54 5.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.835 -177.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.503 ' HA ' ' HB3' ' A' ' 2' ' ' SER . 0.7 OUTLIER -110.61 152.9 25.91 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 171.513 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 1.0 ' HD2' ' HA ' ' A' ' 6' ' ' LYS . 9.7 m-30 -102.71 140.01 37.55 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 -176.213 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.425 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 42.2 m95 -138.84 -178.71 5.44 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.403 -171.07 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.618 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 14.1 m80 -100.34 163.03 12.57 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 165.154 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.65 -43.45 89.79 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.952 0.406 . . . . 0.0 111.01 179.545 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.1 ttm-85 -95.12 -3.9 47.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.767 -178.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.818 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 17.2 m -84.36 -38.5 20.23 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.766 178.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.825 HD22 HD22 ' A' ' 21' ' ' LEU . 14.9 tp -63.75 -55.61 21.9 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 175.311 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.495 ' HG3' ' C ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER 42.13 -178.69 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 172.225 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.455 ' O ' ' HD2' ' A' ' 34' ' ' LYS . 3.4 m -83.93 169.78 14.69 Favored 'General case' 0 N--CA 1.431 -1.402 0 CA-C-N 112.43 -2.168 . . . . 0.0 111.103 -172.223 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.56 ' OG ' HD23 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -90.2 -49.12 6.74 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.608 174.854 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.83 -51.22 2.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.88 -177.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -34.95 79.17 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -176.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.436 ' H ' ' CB ' ' A' ' 35' ' ' CYS . 2.3 mp0 63.97 40.19 7.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.836 -177.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -98.69 -161.67 0.89 Allowed 'General case' 0 N--CA 1.441 -0.908 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 174.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.687 ' HB3' ' HB2' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -100.88 121.58 41.97 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.09 177.43 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.627 ' HB3' HD11 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -62.85 -33.18 74.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.034 -174.417 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -95.92 -2.29 61.13 Favored Glycine 0 C--N 1.329 0.17 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.703 -178.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.687 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . 25.8 t0 -85.29 -27.3 26.06 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.349 0.595 . . . . 0.0 110.314 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.5 pt -87.73 3.11 5.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.779 178.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 123.25 -168.47 15.45 Favored Glycine 0 N--CA 1.445 -0.709 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 -176.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.455 HG23 ' HE2' ' A' ' 113' ' ' PHE . 0.2 OUTLIER -97.99 101.28 12.72 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 117.462 0.631 . . . . 0.0 109.766 176.145 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.491 ' H ' HD12 ' A' ' 105' ' ' ILE . 4.2 m -161.39 140.98 10.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.764 0.316 . . . . 0.0 111.534 -179.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.55 ' OG ' HG13 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -162.48 132.29 4.51 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.059 177.095 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.5 ' CE2' ' HG3' ' A' ' 102' ' ' GLU . 21.0 m-85 -112.27 128.49 56.28 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -112.19 101.63 9.86 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.889 0.376 . . . . 0.0 110.608 177.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -142.97 140.89 31.26 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 25.1 m 64.52 23.93 12.99 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 123.462 0.476 . . . . 0.0 111.331 -178.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 69.27 16.5 71.23 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.776 -0.725 . . . . 0.0 111.683 -175.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -103.57 167.13 9.99 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.779 0.323 . . . . 0.0 110.447 -177.506 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.6 mp -124.07 112.75 33.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.44 175.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.672 ' HB3' ' HB3' ' A' ' 61' ' ' ASP . 0.1 OUTLIER -126.36 148.39 49.59 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.171 -174.402 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.414 ' SG ' ' HB3' ' A' ' 60' ' ' ASN . 16.6 p -77.93 -173.85 3.3 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 171.432 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.804 ' HB3' ' HA3' ' A' ' 82' ' ' GLY . 10.5 tpt180 -71.79 -28.92 63.93 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.674 0.273 . . . . 0.0 110.744 177.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.414 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . 38.3 t30 -77.99 -42.42 32.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.928 0.394 . . . . 0.0 110.453 176.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.672 ' HB3' ' HB3' ' A' ' 57' ' ' LEU . 2.5 m-20 -59.7 -39.36 84.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.595 179.176 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -57.67 -42.41 83.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.353 179.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.539 ' HA ' ' HA3' ' A' ' 67' ' ' GLY . 30.3 mm -72.33 -28.06 27.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.253 0.549 . . . . 0.0 110.782 179.146 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 64' ' ' ARG . 7.9 mtp180 -70.24 -41.41 73.58 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.805 177.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.0 mp -90.21 -57.34 2.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.888 -175.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -118.28 31.87 6.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.755 0.312 . . . . 0.0 111.243 -176.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.683 ' HA2' ' HE2' ' A' ' 97' ' ' PHE . . . -103.64 -91.2 2.19 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.389 -0.91 . . . . 0.0 112.19 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 51.5 t30 72.53 -57.49 0.63 Allowed 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.394 0.677 . . . . 0.0 111.352 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.5 154.58 22.62 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.54 176.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.585 ' HA2' ' HA2' ' A' ' 95' ' ' GLY . . . -90.89 -100.6 1.21 Allowed Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.055 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.619 ' HB1' ' HA2' ' A' ' 75' ' ' GLY . . . -141.11 -18.51 0.81 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.006 0.431 . . . . 0.0 110.814 178.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 76.27 -162.49 52.48 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.196 -179.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.08 -16.25 80.88 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.134 178.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.9 -49.06 13.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.89 0.376 . . . . 0.0 110.623 -179.581 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.619 ' HA2' ' HB1' ' A' ' 71' ' ' ALA . . . 83.81 -60.05 4.89 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.764 -0.732 . . . . 0.0 111.588 -177.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 88.67 -73.85 2.15 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.343 177.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -130.6 174.04 10.3 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 178.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.86 50.08 0.09 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.086 0.469 . . . . 0.0 110.231 178.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -111.06 -50.31 0.64 Allowed Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.795 -0.717 . . . . 0.0 111.898 -178.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.52 161.52 29.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.832 0.348 . . . . 0.0 110.706 179.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.436 ' HA3' HG21 ' A' ' 91' ' ' THR . . . -136.42 -65.3 0.06 OUTLIER Glycine 0 N--CA 1.444 -0.825 0 C-N-CA 120.925 -0.655 . . . . 0.0 111.886 179.06 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.804 ' HA3' ' HB3' ' A' ' 59' ' ' ARG . . . 59.1 44.46 96.32 Favored Glycine 0 C--N 1.329 0.148 0 C-N-CA 121.267 -0.492 . . . . 0.0 112.517 178.253 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -102.96 164.81 11.39 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 -178.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -92.09 -14.96 8.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.107 0.48 . . . . 0.0 110.613 178.38 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 26.2 mtt -104.75 -123.7 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.036 178.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 15.4 t 56.06 68.87 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-O 121.403 0.62 . . . . 0.0 111.693 176.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.5 t -108.62 -54.72 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 175.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -119.48 -7.71 9.7 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.182 174.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.61 150.54 37.07 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -62.71 150.11 89.05 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.654 2.236 . . . . 0.0 112.14 -178.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.436 HG21 ' HA3' ' A' ' 81' ' ' GLY . 0.2 OUTLIER -54.24 115.14 1.91 Allowed 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.716 -178.231 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.8 mp -76.9 -81.0 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.066 -176.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 55.57 -101.4 0.13 Allowed 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.379 0.424 . . . . 0.0 111.084 -178.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 121.28 -66.34 0.46 Allowed Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.975 -0.631 . . . . 0.0 111.792 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.585 ' HA2' ' HA2' ' A' ' 70' ' ' GLY . . . -70.88 111.76 3.89 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.913 -0.66 . . . . 0.0 111.974 177.079 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.614 ' HB2' ' HB2' ' A' ' 71' ' ' ALA . 1.2 tm-20 -100.82 124.47 46.54 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.644 0.259 . . . . 0.0 110.332 -179.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.683 ' HE2' ' HA2' ' A' ' 67' ' ' GLY . 2.2 m-85 -140.24 32.88 1.91 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.256 0.551 . . . . 0.0 110.857 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.45 -139.59 20.39 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.624 177.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -170.33 1.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.606 0.241 . . . . 0.0 111.403 -178.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -64.34 -22.93 67.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.856 0.36 . . . . 0.0 111.617 -177.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.483 ' HB3' ' CE1' ' A' ' 50' ' ' TYR . 3.7 t0 -107.8 9.16 29.01 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.249 0.547 . . . . 0.0 110.353 -179.632 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.5 ' HG3' ' CE2' ' A' ' 50' ' ' TYR . 1.9 tt0 -101.1 -172.02 2.1 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.151 179.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.429 ' HD3' ' HB3' ' A' ' 102' ' ' GLU . 0.0 OUTLIER 52.85 44.72 29.97 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.274 -0.875 . . . . 0.0 112.552 173.018 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.438 HD12 ' O ' ' A' ' 49' ' ' SER . 7.8 mt -96.03 8.39 43.85 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.271 0.558 . . . . 0.0 110.073 177.018 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.736 HG12 HD21 ' A' ' 21' ' ' LEU . 10.5 mt -86.69 126.8 40.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.3 -177.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.451 ' HB ' ' HB2' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -100.45 126.79 46.88 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 169.707 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 107' ' ' ARG . 0.0 OUTLIER -64.4 163.41 13.24 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -171.198 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.83 ' H ' HD22 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -63.33 -174.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.241 -1.345 . . . . 0.0 111.991 -178.006 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.626 ' HB2' ' C ' ' A' ' 18' ' ' ARG . 5.9 mm-40 -82.03 84.12 7.08 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 121.689 0.757 . . . . 0.0 111.925 -173.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 26.2 p30 -162.03 20.3 0.1 Allowed 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.489 -179.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 25.4 m 71.8 -49.65 0.69 Allowed 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 176.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.63 160.95 37.77 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 178.073 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.455 ' HE2' HG23 ' A' ' 47' ' ' THR . 0.1 OUTLIER -62.46 -26.18 68.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.543 0.211 . . . . 0.0 110.824 179.871 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -70.56 95.59 1.1 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 171.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -72.57 94.99 1.77 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.927 -172.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -101.01 69.53 1.31 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.92 175.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -73.18 -33.94 65.72 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.006 -179.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 160.08 -166.18 35.04 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.304 177.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 5.7 tp -91.69 -25.04 5.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 176.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -118.27 120.33 37.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.491 174.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.44 ' HB3' ' H ' ' A' ' 122' ' ' GLU . 5.9 t70 -108.16 -97.62 0.37 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.106 -178.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.44 ' H ' ' HB3' ' A' ' 121' ' ' ASP . 72.4 mm-40 . . . . . 0 C--O 1.251 1.159 0 CA-C-O 118.072 -0.966 . . . . 0.0 109.13 176.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.724 0 N-CA-C 111.922 -0.471 . . . . 0.0 111.922 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 51.28 43.86 29.12 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.019 0.438 . . . . 0.0 111.342 -179.211 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.469 HD22 ' HA ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -90.48 53.01 2.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.2 0.524 . . . . 0.0 110.777 -178.817 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.82 176.06 8.32 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.595 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -101.12 149.68 23.71 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 178.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.65 ' HA ' ' HD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -67.85 89.77 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.305 -177.038 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.41 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -130.6 138.98 50.39 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.725 176.184 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.1 t -79.7 149.14 31.3 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.426 -176.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -112.26 -0.05 15.6 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.558 173.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.594 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -92.14 -59.2 1.32 Allowed Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.03 179.095 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.3 p -93.79 -34.07 13.33 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 174.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 109.7 -3.57 30.65 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.545 -0.836 . . . . 0.0 113.616 171.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.92 -155.68 21.68 Favored Glycine 0 N--CA 1.432 -1.595 0 C-N-CA 120.012 -1.09 . . . . 0.0 112.366 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -103.47 149.47 24.81 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-N 115.003 -0.598 . . . . 0.0 110.159 176.449 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.605 HG21 ' HB2' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -100.25 105.16 17.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.178 0.513 . . . . 0.0 111.086 -179.733 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -115.18 13.76 16.84 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.612 0.72 . . . . 0.0 109.283 175.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.3 173.0 13.02 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.828 -1.078 . . . . 0.0 110.092 178.17 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.649 ' HA ' ' HA3' ' A' ' 118' ' ' GLY . 36.1 ttm-85 -91.08 -31.09 16.39 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.384 0.612 . . . . 0.0 109.677 178.055 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -100.99 113.28 26.12 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.942 179.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.605 ' HB2' HG21 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -141.41 159.97 41.12 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.884 0.373 . . . . 0.0 110.683 -178.733 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.487 HD21 HG23 ' A' ' 105' ' ' ILE . 0.4 OUTLIER -123.51 146.43 48.09 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.962 -179.462 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.493 ' HD2' HG22 ' A' ' 106' ' ' THR . 1.7 m-85 -112.75 117.68 32.89 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 173.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.468 ' HB1' HD13 ' A' ' 104' ' ' LEU . . . -146.52 131.16 17.85 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.908 -0.133 . . . . 0.0 110.937 -176.33 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.425 ' SD ' HG21 ' A' ' 51' ' ' THR . 9.9 mtm 64.38 29.7 13.45 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 123.622 0.576 . . . . 0.0 110.917 -179.096 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 64.61 15.61 9.8 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.976 -176.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.18 167.75 11.53 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 173.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.65 ' HD2' ' HA ' ' A' ' 6' ' ' LYS . 11.1 m-85 -111.3 151.31 28.52 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.533 -178.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 29.7 m95 -142.81 171.73 13.65 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.922 -173.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.664 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 27.4 m80 -96.59 163.3 13.08 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 168.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.13 -45.61 83.37 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -175.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.458 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.7 OUTLIER -99.0 -0.79 41.32 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 121.102 -0.239 . . . . 0.0 111.166 -179.685 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.664 ' SG ' ' HB2' ' A' ' 29' ' ' HIS . 22.2 m -79.3 -30.39 42.86 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 174.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.616 ' O ' ' HB2' ' A' ' 42' ' ' LEU . 8.9 tp -86.32 61.19 6.68 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.377 -0.829 . . . . 0.0 108.795 169.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.458 ' HB3' ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -92.87 157.98 16.09 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.948 -178.229 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.504 ' HB3' ' H ' ' A' ' 39' ' ' GLN . 0.1 OUTLIER -75.43 -176.19 3.08 Favored 'General case' 0 N--CA 1.438 -1.029 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.271 -178.763 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -106.51 -45.76 4.17 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.902 -179.146 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.461 ' HB3' HD21 ' A' ' 65' ' ' LEU . 45.5 p -103.44 -40.85 6.19 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.744 -177.343 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -86.78 -21.12 26.7 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 119.983 -0.687 . . . . 0.0 109.514 176.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.504 ' H ' ' HB3' ' A' ' 35' ' ' CYS . 2.5 mm-40 45.33 42.86 7.78 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 114.753 -1.112 . . . . 0.0 111.758 174.249 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -89.69 169.17 11.53 Favored 'General case' 0 N--CA 1.428 -1.535 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.364 177.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -78.36 87.59 4.39 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-N 114.779 -1.1 . . . . 0.0 109.364 176.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.616 ' HB2' ' O ' ' A' ' 33' ' ' LEU . 6.0 mt -59.51 -27.8 66.48 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.368 -176.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.41 ' HA2' ' CD1' ' A' ' 21' ' ' LEU . . . -76.55 -0.35 67.28 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.701 -0.681 . . . . 0.0 113.427 179.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.63 -29.93 14.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.03 0.443 . . . . 0.0 110.578 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 7.7 pt -93.98 -33.81 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.464 -177.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.755 ' HA2' HG21 ' A' ' 105' ' ' ILE . . . 70.54 21.71 77.71 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.857 178.291 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.472 ' O ' HD12 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -91.09 -167.58 1.85 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.815 0.341 . . . . 0.0 111.122 -179.114 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.74 134.24 39.23 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.736 -173.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.53 ' OG ' HG13 ' A' ' 105' ' ' ILE . 2.1 p -129.9 152.34 49.47 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.204 176.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -124.3 155.28 38.95 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.628 0.251 . . . . 0.0 110.629 -176.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.425 HG21 ' SD ' ' A' ' 24' ' ' MET . 5.1 m -118.67 111.71 18.87 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.622 -175.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -153.71 143.32 21.74 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.748 176.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 71.9 m 67.14 21.26 10.12 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.555 0.534 . . . . 0.0 111.441 -176.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 69.99 17.54 73.71 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.815 -0.707 . . . . 0.0 111.491 -176.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.01 164.97 13.91 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.842 0.353 . . . . 0.0 110.597 -176.447 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 44.2 mm -117.11 128.89 74.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.611 178.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.85 ' HB3' ' HB3' ' A' ' 61' ' ' ASP . 0.7 OUTLIER -138.41 145.08 40.56 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 -175.12 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 30.4 p -76.82 174.91 9.96 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 173.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.497 ' O ' HG12 ' A' ' 63' ' ' ILE . 4.0 tpp85 -58.59 -40.01 81.96 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.963 0.411 . . . . 0.0 110.539 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -66.28 -42.71 88.06 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.949 177.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.85 ' HB3' ' HB3' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -62.06 -41.92 98.65 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.937 177.504 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -54.9 -52.16 63.77 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.571 -176.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.497 HG12 ' O ' ' A' ' 59' ' ' ARG . 2.1 mm -68.48 -29.66 44.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.027 0.442 . . . . 0.0 110.914 -179.262 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -69.85 -41.09 75.35 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.73 178.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.505 HD13 ' HA ' ' A' ' 65' ' ' LEU . 0.4 OUTLIER -86.0 -57.93 2.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.147 -173.916 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.418 ' O ' ' HZ ' ' A' ' 97' ' ' PHE . 3.5 m-85 -122.2 19.48 10.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.669 -0.241 . . . . 0.0 111.186 -174.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.56 ' HA2' ' HE1' ' A' ' 97' ' ' PHE . . . -68.21 -13.35 64.63 Favored Glycine 0 C--O 1.236 0.274 0 C-N-CA 121.278 -0.487 . . . . 0.0 113.137 -178.174 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.462 ' HB3' ' H ' ' A' ' 69' ' ' SER . 8.8 t-20 57.8 -112.1 0.63 Allowed 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 122.983 0.513 . . . . 0.0 111.418 177.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.462 ' H ' ' HB3' ' A' ' 68' ' ' ASN . 0.9 OUTLIER -83.82 30.85 0.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.621 -178.672 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 68.29 52.13 28.7 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 121.149 -0.548 . . . . 0.0 112.604 178.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.475 ' O ' ' HA ' ' A' ' 96' ' ' GLU . . . -79.53 61.83 3.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.198 0.523 . . . . 0.0 110.862 -179.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.507 ' HA2' ' HA ' ' A' ' 96' ' ' GLU . . . -139.0 108.88 0.62 Allowed Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.731 179.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.425 ' N ' ' HG2' ' A' ' 96' ' ' GLU . . . -130.91 78.61 0.37 Allowed Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.07 -179.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.47 132.1 44.26 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.594 0.235 . . . . 0.0 110.443 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 176.75 178.91 46.87 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 121.05 -0.595 . . . . 0.0 111.996 -178.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -84.89 -13.63 71.68 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.976 -178.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -71.3 -27.19 63.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.76 0.28 . . . . 0.0 111.0 -179.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.89 -50.06 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.016 0.436 . . . . 0.0 110.016 179.264 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.565 ' O ' ' HG3' ' A' ' 96' ' ' GLU . . . 78.59 -102.54 1.87 Allowed Glycine 0 N--CA 1.442 -0.941 0 C-N-CA 120.89 -0.671 . . . . 0.0 111.865 -178.276 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -94.23 133.96 37.2 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 120.975 0.417 . . . . 0.0 110.562 177.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 147.93 60.35 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -177.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -101.88 41.04 2.22 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.269 -177.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -123.54 172.98 8.34 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 176.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 22.0 t 60.22 71.84 0.1 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.33 0 O-C-N 123.804 0.69 . . . . 0.0 109.776 -176.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.413 ' O ' ' HB ' ' A' ' 86' ' ' VAL . 0.0 OUTLIER 75.58 172.75 0.25 Allowed 'General case' 0 C--O 1.232 0.147 0 CA-C-N 114.766 -1.107 . . . . 0.0 110.384 -173.757 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.443 HG21 ' O ' ' A' ' 93' ' ' MET . 0.5 OUTLIER 88.11 -19.76 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 C-N-CA 123.965 0.906 . . . . 0.0 111.142 -176.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -90.02 98.05 7.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.48 177.302 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 104.41 -61.71 0.4 Allowed Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.365 -179.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.446 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 0.0 OUTLIER -75.98 150.87 83.85 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-O 120.731 0.3 . . . . 0.0 110.619 179.894 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 89' ' ' GLU . 5.3 Cg_exo -76.94 51.17 3.32 Favored 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 123.299 2.666 . . . . 0.0 112.548 -178.274 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 68.7 m -76.06 129.51 36.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.184 178.045 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -89.63 75.28 7.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.855 0.36 . . . . 0.0 110.566 -178.244 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.443 ' O ' HG21 ' A' ' 86' ' ' VAL . 0.2 OUTLIER -165.59 -161.04 0.49 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.913 -179.31 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 60.26 -156.84 29.22 Favored Glycine 0 N--CA 1.45 -0.377 0 O-C-N 123.454 0.471 . . . . 0.0 113.526 176.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -171.84 -126.86 0.91 Allowed Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 111.34 -0.704 . . . . 0.0 111.34 179.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.565 ' HG3' ' O ' ' A' ' 79' ' ' GLY . 0.1 OUTLIER -77.63 128.12 33.58 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 174.36 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.56 ' HE1' ' HA2' ' A' ' 67' ' ' GLY . 1.3 p90 -84.47 166.63 17.12 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.503 -178.554 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.98 6.55 56.94 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.727 -0.749 . . . . 0.0 111.393 -174.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.41 ' O ' ' HB2' ' A' ' 102' ' ' GLU . 0.2 OUTLIER -66.64 -21.62 66.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.026 0.441 . . . . 0.0 110.909 -179.604 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.28 -17.52 63.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 177.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -107.17 18.16 22.04 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.025 0.44 . . . . 0.0 110.858 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 99' ' ' ASP . 1.2 mm-40 -68.23 167.65 13.88 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.192 -179.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.48 71.02 0.54 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.05 178.476 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.468 HD13 ' HB1' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -113.53 -41.9 3.55 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.886 -179.825 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.755 HG21 ' HA2' ' A' ' 46' ' ' GLY . 54.2 mt -85.36 120.44 35.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.238 0.542 . . . . 0.0 111.639 -177.474 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.493 HG22 ' HD2' ' A' ' 22' ' ' TYR . 81.5 m -126.0 101.54 6.85 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 171.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.37 153.99 30.01 Favored 'General case' 0 C--N 1.318 -0.784 0 O-C-N 121.721 -0.612 . . . . 0.0 111.381 -170.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.44 104.14 3.89 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.513 176.29 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.543 ' HG3' ' CB ' ' A' ' 112' ' ' GLN . 4.0 pt-20 -114.84 140.26 49.09 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.51 -175.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.56 -60.39 3.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.74 -176.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -80.75 59.33 3.62 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -176.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.543 ' CB ' ' HG3' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -174.91 -50.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.217 177.661 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -83.03 164.13 20.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.447 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -72.66 -46.72 52.49 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.096 0.474 . . . . 0.0 110.329 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -83.37 160.14 21.69 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.676 177.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -90.64 177.4 6.36 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.668 179.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.53 ' O ' ' HG3' ' A' ' 18' ' ' ARG . 9.0 t-20 -149.32 172.78 14.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.264 177.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.649 ' HA3' ' HA ' ' A' ' 18' ' ' ARG . . . 80.48 -71.23 2.86 Favored Glycine 0 N--CA 1.45 -0.419 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 -176.178 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 5.0 mm -111.14 57.5 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 172.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.22 132.62 34.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.837 -174.415 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -100.63 108.86 20.85 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.694 -178.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.789 -0.624 . . . . 0.0 109.376 178.484 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.654 0 N-CA-C 112.0 -0.44 . . . . 0.0 112.0 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.4 m -93.29 136.79 33.22 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.988 0.423 . . . . 0.0 110.674 179.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.482 HD23 ' HB1' ' A' ' 16' ' ' ALA . 10.1 tp -137.65 171.33 14.61 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.607 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.485 ' HB3' ' CE2' ' A' ' 27' ' ' TYR . 74.0 m -77.24 72.23 3.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.417 0.627 . . . . 0.0 110.532 178.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.516 ' CE3' ' HB3' ' A' ' 14' ' ' LYS . 24.0 m95 -74.7 -80.67 0.08 Allowed 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.743 -178.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.619 ' HE3' ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 55.35 -128.99 2.12 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.659 179.767 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.503 ' H ' ' HB3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -166.11 153.42 9.95 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.817 172.309 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 53.9 t -75.59 134.53 40.66 Favored 'General case' 0 N--CA 1.439 -1.016 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.579 175.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -92.98 0.93 57.51 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.965 176.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.833 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -94.58 -56.57 1.33 Allowed Glycine 0 N--CA 1.444 -0.807 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.553 -179.18 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.1 p -103.88 -24.96 13.23 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.823 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 88.09 109.0 1.01 Allowed Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.581 -179.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 154.94 143.37 3.65 Favored Glycine 0 N--CA 1.434 -1.446 0 C-N-CA 120.716 -0.754 . . . . 0.0 111.813 -177.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.516 ' HB3' ' CE3' ' A' ' 5' ' ' TRP . 0.0 OUTLIER -60.57 122.71 15.36 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.339 -0.431 . . . . 0.0 110.057 177.594 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.536 HG22 ' HB2' ' A' ' 17' ' ' ASP . 1.7 mt -89.77 -94.96 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 111.776 0.288 . . . . 0.0 111.776 -174.189 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.482 ' HB1' HD23 ' A' ' 3' ' ' LEU . . . 60.05 30.67 20.13 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.212 0.53 . . . . 0.0 110.391 -174.055 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.536 ' HB2' HG22 ' A' ' 15' ' ' ILE . 1.2 m-20 -79.68 166.16 22.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.111 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -71.16 -31.39 67.63 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 174.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -119.31 95.97 5.02 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.601 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.572 ' H ' HD12 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -133.33 176.43 8.53 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.231 0.538 . . . . 0.0 110.603 176.738 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.085 HD21 HG23 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -129.63 162.05 29.17 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.227 177.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.598 ' HD1' ' HB ' ' A' ' 106' ' ' THR . 0.4 OUTLIER -135.09 134.8 40.68 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 174.124 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.964 ' HB1' ' HA ' ' A' ' 84' ' ' VAL . . . -149.43 108.26 3.86 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.302 -176.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.467 ' HG3' ' HB ' ' A' ' 84' ' ' VAL . 0.0 OUTLIER 60.14 59.98 2.21 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.673 -179.546 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 71.58 -33.56 0.27 Allowed 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 178.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.46 148.65 24.86 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.687 0.279 . . . . 0.0 110.496 -179.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.619 ' CE2' ' HE3' ' A' ' 6' ' ' LYS . 8.9 m-30 -96.84 162.05 13.59 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.915 0.388 . . . . 0.0 110.407 -178.017 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.663 ' HZ2' ' HA ' ' A' ' 85' ' ' MET . 70.2 m95 -146.82 178.25 8.47 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.697 -176.28 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.675 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 24.5 m80 -101.85 162.72 12.69 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 164.016 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.411 ' C ' HE21 ' A' ' 41' ' ' GLN . 0.7 OUTLIER -72.15 -18.46 61.88 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.221 -0.591 . . . . 0.0 110.691 -179.079 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -94.9 -27.72 15.56 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.367 175.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.833 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 58.8 m -78.49 -16.58 57.35 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.093 0.473 . . . . 0.0 109.929 176.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.657 ' HG ' HD22 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -75.41 77.39 2.47 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 167.781 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.72 162.44 26.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.155 -166.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.744 ' HB3' ' H ' ' A' ' 39' ' ' GLN . 0.3 OUTLIER -75.51 166.34 23.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.597 176.739 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.447 ' OG ' HG12 ' A' ' 56' ' ' ILE . 1.5 m -99.4 7.17 45.74 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 166.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.483 ' HB2' ' OD2' ' A' ' 61' ' ' ASP . 0.3 OUTLIER -121.9 -77.05 0.58 Allowed 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.997 -176.265 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 22.7 p -79.42 -26.25 41.89 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.731 0.301 . . . . 0.0 110.933 -178.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.744 ' H ' ' HB3' ' A' ' 35' ' ' CYS . 59.0 mt-30 55.03 39.44 31.59 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.245 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -84.45 -154.36 0.17 Allowed 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.785 177.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.974 ' HG2' ' HB2' ' A' ' 44' ' ' ASP . 0.8 OUTLIER -94.73 87.28 4.99 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 121.202 0.525 . . . . 0.0 109.842 176.736 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.842 HD23 ' HA2' ' A' ' 82' ' ' GLY . 5.0 mp -79.36 -6.73 57.44 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.202 -178.373 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -105.74 38.54 3.25 Favored Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.093 177.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.974 ' HB2' ' HG2' ' A' ' 41' ' ' GLN . 0.3 OUTLIER -152.38 48.33 0.75 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.531 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.633 HD13 ' HB2' ' A' ' 80' ' ' SER . 1.0 OUTLIER -135.22 9.79 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.495 -173.112 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 102.05 -122.81 7.67 Favored Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 -173.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.457 ' HA ' ' HB ' ' A' ' 105' ' ' ILE . 1.4 t -144.47 99.32 3.34 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.834 0.826 . . . . 0.0 111.183 170.222 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.478 ' HA ' ' O ' ' A' ' 103' ' ' ARG . 0.0 OUTLIER -166.16 113.86 0.91 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.426 170.675 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.6 ' HA ' ' N ' ' A' ' 82' ' ' GLY . 1.8 p -107.81 177.76 4.72 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 178.319 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.61 ' HE2' ' HA ' ' A' ' 59' ' ' ARG . 2.5 m-85 -133.0 101.42 5.22 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.533 177.05 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.677 HG23 HG22 ' A' ' 86' ' ' VAL . 0.2 OUTLIER -89.82 102.57 15.27 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.437 178.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.8 tptt -149.73 126.02 10.77 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 121.251 -0.18 . . . . 0.0 111.066 -178.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 58.6 m 61.97 13.09 5.33 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 174.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.56 ' HA3' ' HD2' ' A' ' 90' ' ' PRO . . . 69.81 25.82 75.12 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 119.687 -1.244 . . . . 0.0 110.459 -172.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.09 138.88 52.58 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.781 HD13 ' HB ' ' A' ' 86' ' ' VAL . 0.1 OUTLIER -92.53 125.13 45.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.299 179.631 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.401 ' O ' ' HB2' ' A' ' 50' ' ' TYR . 0.9 OUTLIER -135.21 151.31 50.5 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.636 179.657 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.666 ' HA ' ' HA3' ' A' ' 81' ' ' GLY . 9.8 p -89.08 -175.77 4.92 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 171.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.757 ' HB2' ' HA ' ' A' ' 80' ' ' SER . 9.7 tpt180 -63.36 -46.51 86.23 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.694 -0.402 . . . . 0.0 109.926 177.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.79 -46.74 80.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.246 178.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.635 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 22.3 m-20 -75.77 -19.97 58.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.526 -174.474 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -66.79 -45.82 77.23 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 174.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.702 HG23 ' HZ ' ' A' ' 97' ' ' PHE . 2.5 mm -69.97 -23.74 25.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.293 0.568 . . . . 0.0 110.451 177.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.515 ' HB3' ' HA ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -76.26 -48.67 19.43 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.822 179.838 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.76 -34.21 15.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.974 -174.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -126.67 25.39 6.43 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.466 -174.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.489 ' HA2' ' CE1' ' A' ' 97' ' ' PHE . . . -65.11 -32.19 83.24 Favored Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 175.378 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -118.84 82.32 1.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 173.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.58 -13.11 28.09 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.225 -172.294 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 133.61 -34.76 2.37 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.636 -0.792 . . . . 0.0 111.921 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -135.68 161.67 34.9 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 177.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -104.8 -130.78 6.9 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.405 -178.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.35 63.01 1.82 Allowed Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.179 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.737 ' HB3' ' HB3' ' A' ' 99' ' ' ASP . 0.7 OUTLIER -140.05 134.16 30.99 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.672 0.272 . . . . 0.0 110.749 -178.791 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -147.5 -0.25 0.61 Allowed Glycine 0 CA--C 1.519 0.343 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.949 -179.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -95.49 161.74 23.2 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.54 -178.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -127.86 -24.64 3.19 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.809 0.337 . . . . 0.0 111.211 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.1 tpt -76.9 129.69 36.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.222 -177.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.533 ' O ' ' HD3' ' A' ' 59' ' ' ARG . . . 124.78 124.48 2.84 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.355 178.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.757 ' HA ' ' HB2' ' A' ' 59' ' ' ARG . 3.1 m -101.02 -165.3 1.19 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 178.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.666 ' HA3' ' HA ' ' A' ' 58' ' ' CYS . . . -123.57 160.49 18.1 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.841 -177.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.85 ' HA3' HD11 ' A' ' 105' ' ' ILE . . . 178.29 -169.48 41.22 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 121.104 -0.569 . . . . 0.0 112.456 -179.251 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.643 ' HB3' HD22 ' A' ' 33' ' ' LEU . 2.8 t0 -95.21 159.38 15.04 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 122.973 0.509 . . . . 0.0 111.724 -178.091 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.964 ' HA ' ' HB1' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -159.04 53.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.936 175.322 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.663 ' HA ' ' HZ2' ' A' ' 28' ' ' TRP . 2.7 tpt 61.61 44.08 9.38 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.825 0.821 . . . . 0.0 109.103 -172.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.781 ' HB ' HD13 ' A' ' 56' ' ' ILE . 10.7 t -98.6 3.1 10.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 114.733 -1.121 . . . . 0.0 110.016 -175.699 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.4 m -79.16 169.09 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.138 177.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 90.5 -133.38 11.77 Favored Glycine 0 N--CA 1.443 -0.859 0 N-CA-C 111.499 -0.641 . . . . 0.0 111.499 -177.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -142.04 67.82 22.41 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-O 120.963 0.411 . . . . 0.0 110.377 175.445 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.56 ' HD2' ' HA3' ' A' ' 54' ' ' GLY . 4.8 Cg_exo -73.49 135.65 22.49 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 122.653 2.235 . . . . 0.0 111.357 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.04 55.61 1.82 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.205 0.526 . . . . 0.0 111.04 -179.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.44 HD12 ' HB2' ' A' ' 90' ' ' PRO . 0.1 OUTLIER -67.79 126.13 28.43 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.657 -179.33 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -70.48 143.62 51.66 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.415 179.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -78.77 171.57 55.13 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.204 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -159.82 -143.43 3.66 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.892 -0.671 . . . . 0.0 111.876 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.21 -166.86 1.35 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.811 0.339 . . . . 0.0 110.758 178.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.702 ' HZ ' HG23 ' A' ' 63' ' ' ILE . 2.1 t80 -76.53 102.85 6.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.522 175.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.527 ' HA3' ' HB2' ' A' ' 101' ' ' ASP . . . -87.45 99.18 2.46 Favored Glycine 0 N--CA 1.443 -0.876 0 C-N-CA 120.732 -0.747 . . . . 0.0 113.734 -171.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.737 ' HB3' ' HB3' ' A' ' 74' ' ' SER . 21.7 p-10 -77.88 -35.57 50.72 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 170.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -98.59 29.56 3.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.932 175.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.527 ' HB2' ' HA3' ' A' ' 98' ' ' GLY . 0.4 OUTLIER -89.93 2.99 54.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.285 179.892 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.412 ' HG3' ' H ' ' A' ' 102' ' ' GLU . 0.1 OUTLIER -70.22 119.82 14.99 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.501 -178.477 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.478 ' O ' ' HA ' ' A' ' 48' ' ' SER . 3.0 tpp180 -93.94 -145.65 0.24 Allowed 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.559 -177.48 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.791 ' H ' HD22 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -116.11 149.24 39.31 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -174.536 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 1.085 HG23 HD21 ' A' ' 21' ' ' LEU . 9.0 mt -135.72 118.29 22.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 171.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.598 ' HB ' ' HD1' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -91.23 87.4 6.49 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.173 0.511 . . . . 0.0 110.637 -177.452 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.445 ' HA ' ' HD2' ' A' ' 107' ' ' ARG . 0.0 OUTLIER -95.27 81.55 3.64 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.532 179.136 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.1 mt -125.36 102.88 7.63 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.145 0.498 . . . . 0.0 110.812 -178.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -75.68 157.41 33.68 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.846 178.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -59.06 -37.94 78.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.401 0.62 . . . . 0.0 110.652 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.404 ' O ' ' HB3' ' A' ' 115' ' ' ALA . 0.0 OUTLIER -83.11 -6.55 59.53 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.556 -179.125 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.2 -0.57 53.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.19 0.519 . . . . 0.0 110.455 179.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -84.3 -23.36 30.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.197 -178.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -149.58 -49.36 0.14 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.525 -177.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 111' ' ' THR . . . -61.41 -58.2 9.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.897 0.38 . . . . 0.0 110.982 -177.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -100.31 153.96 18.88 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 175.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 66.84 -76.91 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.218 0.607 . . . . 0.0 111.351 -179.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 124.1 -46.49 1.09 Allowed Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.315 178.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 6.1 tp -162.58 152.27 3.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -131.43 171.19 13.68 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 -178.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -85.87 61.26 6.74 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.391 0.615 . . . . 0.0 110.309 178.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 . . . . . 0 C--O 1.245 0.863 0 CA-C-O 118.551 -0.738 . . . . 0.0 110.345 -177.891 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.709 0 N-CA-C 111.634 -0.587 . . . . 0.0 111.634 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -133.25 74.41 1.56 Allowed 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.006 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.2 tp 64.71 28.73 13.02 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.063 -174.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.99 114.36 28.4 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.292 -179.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -112.92 148.1 35.69 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.839 -178.309 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.695 ' HD2' ' HB ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -65.66 81.57 0.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.342 -178.167 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.585 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -122.2 146.7 47.0 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.202 177.827 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.55 ' HB2' HG12 ' A' ' 15' ' ' ILE . 46.2 t -87.55 143.64 27.1 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.431 178.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -104.86 3.49 31.06 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.65 175.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.781 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -94.39 -40.99 4.34 Favored Glycine 0 N--CA 1.445 -0.759 0 CA-C-N 115.636 -0.711 . . . . 0.0 113.009 -176.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.453 ' SG ' ' N ' ' A' ' 12' ' ' GLY . 23.8 p -117.2 -88.26 0.6 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 117.05 0.425 . . . . 0.0 111.677 -177.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.453 ' N ' ' SG ' ' A' ' 11' ' ' CYS . . . -110.76 -113.22 3.43 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.872 -0.68 . . . . 0.0 113.364 -174.508 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.49 ' HA2' ' NH2' ' A' ' 7' ' ' ARG . . . -116.78 -119.9 3.11 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.677 -0.773 . . . . 0.0 113.125 -175.184 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 7' ' ' ARG . 4.0 mttt -62.27 138.38 58.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.088 0.471 . . . . 0.0 111.406 -177.568 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.695 ' HB ' ' HD2' ' A' ' 6' ' ' LYS . 38.8 mt -86.69 104.48 14.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.356 -179.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.89 -6.65 59.34 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.772 177.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.35 150.65 47.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.962 177.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.46 -19.03 24.34 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.997 0.427 . . . . 0.0 110.076 177.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -114.36 115.55 27.52 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.702 176.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.605 ' HG ' ' HD3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -146.52 177.58 8.94 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.549 -177.117 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.726 HD23 HD23 ' A' ' 33' ' ' LEU . 4.7 tp -132.4 156.72 46.17 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 -178.147 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.668 ' HD2' ' CD1' ' A' ' 27' ' ' TYR . 1.8 m-85 -123.0 130.48 52.85 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 178.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.583 ' HA ' ' O ' ' A' ' 104' ' ' LEU . . . -153.25 137.93 16.95 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.614 -0.435 . . . . 0.0 112.063 -176.324 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.5 ' HA ' HD22 ' A' ' 104' ' ' LEU . 4.8 mpp? 57.72 38.6 27.54 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.421 175.373 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 65.48 13.14 8.68 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.668 178.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.3 162.3 21.75 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 171.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.668 ' CD1' ' HD2' ' A' ' 22' ' ' TYR . 6.9 m-85 -105.12 151.31 24.18 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 120.442 -0.503 . . . . 0.0 109.66 178.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 62.0 m95 -143.72 179.28 7.24 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.362 -170.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.606 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 12.6 m80 -100.69 163.8 12.17 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 166.086 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.13 -34.46 78.44 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.516 0.675 . . . . 0.0 109.725 175.327 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -86.33 -16.95 35.84 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.41 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.781 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 99.9 m -93.86 -30.8 14.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.442 -178.186 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.726 HD23 HD23 ' A' ' 21' ' ' LEU . 38.6 tp -82.16 87.63 6.51 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 174.12 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.792 ' HB2' ' HA ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -127.45 154.13 45.44 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.496 -174.273 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.736 ' HB3' ' H ' ' A' ' 39' ' ' GLN . 13.1 t -66.83 152.59 45.3 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 175.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.4 m -77.02 -15.03 59.75 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.142 0.496 . . . . 0.0 110.011 176.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -111.73 -37.29 5.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.322 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.56 ' H ' ' HB3' ' A' ' 35' ' ' CYS . 34.5 m -103.65 -41.23 6.01 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 -173.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.792 ' HA ' ' HB2' ' A' ' 34' ' ' LYS . 5.9 mp0 75.0 -37.39 0.35 Allowed 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.28 0.632 . . . . 0.0 111.846 -175.26 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.24 -26.58 13.87 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 121.947 -0.47 . . . . 0.0 111.888 -176.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.836 ' HG3' HG12 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -63.81 -25.17 68.05 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -172.817 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.632 HD12 ' HG ' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -60.39 -30.97 69.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.854 0.359 . . . . 0.0 111.533 -177.02 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -128.6 36.78 2.38 Favored Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 120.467 -0.873 . . . . 0.0 111.982 178.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -122.15 -62.99 1.33 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.824 0.345 . . . . 0.0 111.185 -178.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.836 HG12 ' HG3' ' A' ' 41' ' ' GLN . 1.2 pt -81.87 41.08 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.611 -177.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 87.22 134.4 4.15 Favored Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 110.489 -1.044 . . . . 0.0 110.489 -174.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.91 103.92 8.15 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.38 0.61 . . . . 0.0 110.548 -174.138 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.401 ' HB2' ' HG3' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -160.05 114.4 2.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.458 -178.523 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.3 p -107.84 170.53 7.93 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 110.232 -0.285 . . . . 0.0 110.232 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.616 ' HE1' ' H ' ' A' ' 101' ' ' ASP . 2.7 m-85 -138.77 118.77 13.36 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.732 0.301 . . . . 0.0 110.862 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.17 102.57 14.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.808 -176.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.9 ' HE2' HD12 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -157.47 142.51 16.87 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 173.829 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 m 65.9 4.69 3.08 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 67.34 15.31 65.58 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.831 -0.699 . . . . 0.0 111.671 -176.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.8 117.18 31.45 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 121.023 0.439 . . . . 0.0 110.034 -176.381 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 24.2 mt -69.07 113.47 4.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.887 -175.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.9 HD12 ' HE2' ' A' ' 52' ' ' LYS . 35.6 mt -118.92 162.17 18.96 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.021 177.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.573 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 9.3 p -85.71 173.97 9.71 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.389 172.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.401 ' HG3' ' HB2' ' A' ' 48' ' ' SER . 0.2 OUTLIER -65.77 -28.44 69.02 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.702 178.175 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -82.43 -38.41 24.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.287 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.61 ' HA ' ' HB2' ' A' ' 64' ' ' ARG . 10.7 m-20 -69.8 -27.75 65.16 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-O 120.918 0.389 . . . . 0.0 110.586 -178.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.668 ' HE1' ' HG2' ' A' ' 52' ' ' LYS . 56.2 t80 -60.21 -47.07 87.5 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.033 174.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.486 ' HA ' ' HA3' ' A' ' 67' ' ' GLY . 6.8 mt -71.6 -26.35 26.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.991 0.424 . . . . 0.0 110.685 177.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.61 ' HB2' ' HA ' ' A' ' 61' ' ' ASP . 0.4 OUTLIER -63.47 -47.83 80.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.23 178.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.5 mt -105.2 -42.5 5.26 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -174.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -95.11 -19.2 20.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.743 0.306 . . . . 0.0 111.392 -175.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.486 ' HA3' ' HA ' ' A' ' 63' ' ' ILE . . . -76.95 75.45 1.71 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.743 -176.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -127.62 2.85 6.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.699 0.285 . . . . 0.0 111.194 -177.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.58 -26.26 41.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.143 -177.728 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.401 ' H ' ' HZ ' ' A' ' 97' ' ' PHE . . . 90.52 118.32 1.98 Allowed Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.312 -179.017 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -128.42 166.18 19.23 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.725 0.297 . . . . 0.0 110.551 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -118.45 104.31 1.1 Allowed Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.93 -0.652 . . . . 0.0 111.974 178.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -68.72 -15.83 69.29 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 121.317 -0.468 . . . . 0.0 112.863 -177.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.02 58.0 3.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.171 0.51 . . . . 0.0 111.185 178.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -160.53 -85.63 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.687 0 N-CA-C 111.284 -0.726 . . . . 0.0 111.284 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -77.91 130.88 10.52 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.648 -0.786 . . . . 0.0 111.408 174.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.75 57.38 3.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.088 0.47 . . . . 0.0 110.802 -178.104 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.487 ' SD ' HG22 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -127.92 21.91 6.31 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.262 179.876 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.95 -89.15 1.39 Allowed Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.26 -178.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.43 ' HB2' ' HB2' ' A' ' 97' ' ' PHE . 0.0 OUTLIER -74.37 -23.04 58.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.132 0.491 . . . . 0.0 110.977 -179.315 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.432 ' O ' ' HB2' ' A' ' 78' ' ' MET . . . 150.75 -88.32 0.14 Allowed Glycine 0 N--CA 1.443 -0.855 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.801 -179.545 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.413 ' CA ' ' HA3' ' A' ' 98' ' ' GLY . . . 76.34 -70.95 2.09 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.553 178.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.9 t0 62.71 34.86 14.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.307 0.575 . . . . 0.0 110.603 -179.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.487 HG22 ' SD ' ' A' ' 78' ' ' MET . 21.7 m -75.32 154.09 6.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.17 177.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.1 ttp 66.52 24.65 10.24 Favored 'General case' 0 N--CA 1.464 0.23 0 O-C-N 123.459 0.474 . . . . 0.0 110.768 -177.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 9.2 p -73.45 144.38 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.705 179.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.3 m -90.48 159.91 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 -177.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 91.73 -63.51 2.56 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.96 -0.638 . . . . 0.0 111.663 -177.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -116.26 112.43 41.77 Favored Pre-proline 0 C--N 1.321 -0.655 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 175.454 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -72.77 134.42 21.89 Favored 'Trans proline' 0 N--CA 1.464 -0.256 0 C-N-CA 122.524 2.15 . . . . 0.0 113.102 -174.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 55.23 65.69 1.42 Allowed 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.56 -0.746 . . . . 0.0 112.142 177.184 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.49 ' HA ' HD23 ' A' ' 92' ' ' LEU . 2.6 mt -109.57 149.08 30.18 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.292 176.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 4.3 ttp -108.81 56.9 0.61 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.223 0.535 . . . . 0.0 110.131 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.53 -35.38 89.92 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.699 -0.763 . . . . 0.0 111.919 -178.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -91.4 122.8 6.89 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 120.816 -0.706 . . . . 0.0 111.664 176.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.72 156.6 37.73 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 110.518 -0.179 . . . . 0.0 110.518 -179.638 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.478 ' CE1' ' HA2' ' A' ' 67' ' ' GLY . 1.8 m-85 59.68 24.99 13.88 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.255 0.55 . . . . 0.0 110.692 -177.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.413 ' HA3' ' CA ' ' A' ' 82' ' ' GLY . . . -134.17 99.09 0.33 Allowed Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.326 179.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.815 ' HA ' ' HB2' ' A' ' 102' ' ' GLU . 17.0 t0 60.44 49.18 7.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.236 0.541 . . . . 0.0 110.99 -175.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -74.36 -23.13 58.97 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 173.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.616 ' H ' ' HE1' ' A' ' 50' ' ' TYR . 45.4 t0 -177.98 53.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.037 -1.438 . . . . 0.0 108.02 178.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.815 ' HB2' ' HA ' ' A' ' 99' ' ' ASP . 5.2 mt-10 -99.71 -159.47 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.242 -171.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.9 30.12 15.39 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.86 175.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.583 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 11.8 mt -87.04 -23.59 24.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.063 -178.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.417 ' HA ' ' O ' ' A' ' 22' ' ' TYR . 46.7 mt -93.06 119.9 41.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.386 0.612 . . . . 0.0 111.622 -176.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.432 ' O ' ' HD1' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -104.86 128.32 53.01 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 114.904 -1.043 . . . . 0.0 109.819 175.915 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.14 102.74 11.86 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 177.407 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.605 ' HA ' ' NE2' ' A' ' 112' ' ' GLN . 0.5 OUTLIER -145.73 103.95 3.83 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.559 -178.346 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.2 mp0 -69.8 168.07 15.87 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.895 178.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -46.3 103.92 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.364 0 O-C-N 123.163 0.289 . . . . 0.0 111.087 -178.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.566 ' HB ' ' HB2' ' A' ' 115' ' ' ALA . 27.0 m 75.77 -51.41 0.63 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.264 -174.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.605 ' NE2' ' HA ' ' A' ' 108' ' ' LEU . 35.3 tt0 66.24 -74.21 0.06 Allowed 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 123.891 0.876 . . . . 0.0 111.097 179.387 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.38 109.54 0.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.734 0.302 . . . . 0.0 111.132 179.114 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 61.21 38.05 16.96 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.569 179.056 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.566 ' HB2' ' HB ' ' A' ' 111' ' ' THR . . . -100.34 134.31 43.47 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.54 178.309 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -79.44 -34.35 41.69 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.352 -177.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -102.74 -41.26 6.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.264 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.432 ' O ' ' HA ' ' A' ' 112' ' ' GLN . . . -83.02 56.89 5.08 Favored Glycine 0 C--O 1.227 -0.285 0 C-N-CA 120.751 -0.737 . . . . 0.0 111.957 175.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 2.1 tt -81.59 -52.92 13.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.419 0.152 . . . . 0.0 111.007 -177.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -168.83 177.39 5.06 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -178.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -133.66 -43.02 0.83 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.041 0.448 . . . . 0.0 110.538 176.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 . . . . . 0 C--O 1.245 0.847 0 CA-C-O 118.198 -0.906 . . . . 0.0 109.924 179.053 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.682 0 N-CA-C 111.788 -0.525 . . . . 0.0 111.788 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.52 147.91 45.53 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.791 0.329 . . . . 0.0 110.474 179.475 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.18 -57.66 0.96 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.771 -179.069 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.36 171.16 10.13 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.582 179.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -73.25 161.91 29.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.48 179.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.456 ' HE3' ' CZ ' ' A' ' 27' ' ' TYR . 1.6 mppt? -61.24 -53.82 51.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.495 -178.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.897 ' HG3' ' HG3' ' A' ' 14' ' ' LYS . 7.4 ttp180 63.46 166.61 0.14 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.2 -1.363 . . . . 0.0 111.696 177.213 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.563 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 40.9 t -79.57 132.18 36.22 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.142 177.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -95.89 7.71 45.61 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.073 176.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 1.037 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -97.56 -38.37 4.23 Favored Glycine 0 N--CA 1.446 -0.642 0 CA-C-N 115.8 -0.637 . . . . 0.0 112.462 179.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.477 ' SG ' ' N ' ' A' ' 12' ' ' GLY . 22.2 p -122.11 -94.23 0.5 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.277 0.561 . . . . 0.0 110.68 177.444 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.477 ' N ' ' SG ' ' A' ' 11' ' ' CYS . . . 172.15 64.83 0.04 OUTLIER Glycine 0 N--CA 1.442 -0.944 0 N-CA-C 110.462 -1.055 . . . . 0.0 110.462 -179.246 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -156.09 120.14 0.97 Allowed Glycine 0 N--CA 1.437 -1.259 0 N-CA-C 111.354 -0.698 . . . . 0.0 111.354 -175.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.897 ' HG3' ' HG3' ' A' ' 7' ' ' ARG . 1.2 mtpt -63.82 95.51 0.11 Allowed 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.538 -0.331 . . . . 0.0 110.188 -178.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.507 ' HB ' HD23 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -66.18 105.39 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.754 -176.774 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.49 -8.25 45.1 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.337 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.09 154.48 34.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.715 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.427 ' HB2' ' HB2' ' A' ' 110' ' ' ASN . 0.0 OUTLIER -84.66 5.38 28.33 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.535 179.508 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -122.79 88.88 3.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.786 179.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.507 HD23 ' HB ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -130.59 163.33 27.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.998 0.427 . . . . 0.0 110.937 -178.433 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.942 HD21 HG23 ' A' ' 105' ' ' ILE . 0.4 OUTLIER -102.35 146.49 27.97 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.043 175.279 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.515 ' HB2' ' HB ' ' A' ' 106' ' ' THR . 1.8 m-85 -116.38 122.23 44.23 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 -177.09 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.503 ' HB3' ' CD1' ' A' ' 28' ' ' TRP . . . -152.35 127.4 9.72 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.301 176.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.623 ' HG3' HD21 ' A' ' 104' ' ' LEU . 6.5 mtm 62.52 36.93 13.63 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.017 -178.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 62.93 10.8 4.6 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.679 -178.256 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -116.23 171.65 7.69 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 174.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.563 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 20.8 m-30 -107.9 156.6 19.0 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.96 0.41 . . . . 0.0 110.799 -177.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.503 ' CD1' ' HB3' ' A' ' 23' ' ' ALA . 59.9 m95 -141.36 163.17 33.66 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.117 -176.332 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.661 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 22.4 m80 -97.19 163.89 12.72 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 168.434 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.16 -42.62 96.66 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.896 0.379 . . . . 0.0 110.843 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.9 tpt85 -82.72 -14.29 54.84 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.029 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 1.037 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 69.0 m -85.46 -37.19 20.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.859 179.747 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.635 HD21 HG12 ' A' ' 105' ' ' ILE . 29.6 tp -82.14 68.93 8.75 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 171.526 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.44 ' HD3' ' O ' ' A' ' 32' ' ' CYS . 0.0 OUTLIER -119.75 165.57 14.36 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.668 -1.151 . . . . 0.0 110.802 -173.67 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.436 ' HB2' ' N ' ' A' ' 40' ' ' ALA . 1.0 OUTLIER -42.32 120.41 1.63 Allowed 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 113.314 -1.767 . . . . 0.0 110.748 174.78 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.34 -46.52 86.07 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -172.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.9 m -116.63 -20.01 9.75 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.969 0.414 . . . . 0.0 111.401 -174.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.24 -16.86 20.17 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.052 -172.324 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 65.5 mm-40 53.33 26.35 5.23 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 176.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.436 ' N ' ' HB2' ' A' ' 35' ' ' CYS . . . -83.26 -161.96 0.56 Allowed 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 169.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.843 ' HB3' ' HB2' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -101.74 118.48 37.02 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 177.238 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.607 HD12 ' HG ' ' A' ' 33' ' ' LEU . 10.7 mt -58.61 -60.74 3.33 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.02 0.438 . . . . 0.0 111.433 -176.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.73 40.69 3.04 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.893 -0.67 . . . . 0.0 113.165 -176.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.843 ' HB2' ' HB3' ' A' ' 41' ' ' GLN . 28.2 t0 -108.63 -25.28 10.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.001 0.429 . . . . 0.0 110.985 178.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.502 HD13 ' HB2' ' A' ' 60' ' ' ASN . 0.9 OUTLIER -113.32 16.53 8.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.384 0.611 . . . . 0.0 109.977 178.171 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 126.96 124.74 2.75 Favored Glycine 0 N--CA 1.446 -0.688 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.765 -175.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.59 102.54 8.94 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 122.398 -0.472 . . . . 0.0 111.524 -173.533 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.432 ' HB3' ' HB2' ' A' ' 59' ' ' ARG . 0.4 OUTLIER -162.4 111.85 1.45 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.388 175.21 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.486 ' O ' ' HA ' ' A' ' 102' ' ' GLU . 1.2 p -104.37 139.87 38.72 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 178.529 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.702 ' HE2' ' HD3' ' A' ' 59' ' ' ARG . 2.2 m-85 -101.76 122.85 44.72 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.962 -177.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -97.3 104.49 16.51 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.92 179.08 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.417 ' O ' ' HG2' ' A' ' 55' ' ' MET . 0.1 OUTLIER -153.77 142.37 20.84 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.168 -179.855 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 66.1 m 65.47 21.64 11.84 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 123.547 0.529 . . . . 0.0 111.487 -179.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.01 8.77 79.07 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.852 -176.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.417 ' HG2' ' O ' ' A' ' 52' ' ' LYS . 2.8 ptp -120.81 168.1 11.8 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -179.507 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.561 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 5.4 mt -124.19 121.87 62.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.554 -178.437 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -113.24 -176.55 2.92 Favored 'General case' 0 CA--C 1.506 -0.714 0 CA-C-O 122.345 1.069 . . . . 0.0 111.179 177.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 1.083 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 0.1 OUTLIER -92.41 147.77 22.65 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-N 112.503 -2.135 . . . . 0.0 110.736 -179.006 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.702 ' HD3' ' HE2' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -64.29 -21.94 66.78 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.629 0.728 . . . . 0.0 109.65 173.886 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.502 ' HB2' HD13 ' A' ' 45' ' ' ILE . 19.2 t30 -84.01 -38.4 20.96 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.293 -0.867 . . . . 0.0 112.104 -179.246 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 1.083 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 66.3 m-20 -107.55 -15.24 14.65 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.335 -0.546 . . . . 0.0 112.011 -169.434 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -55.17 -31.21 61.18 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.025 0.441 . . . . 0.0 110.556 174.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.483 ' H ' HG12 ' A' ' 63' ' ' ILE . 0.9 OUTLIER -69.35 -15.85 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.561 -179.804 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.426 ' HD2' ' HB3' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -98.96 -2.83 36.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.236 0.541 . . . . 0.0 110.205 177.781 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -109.82 -50.89 2.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.733 178.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -129.62 34.21 4.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.292 -178.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -130.85 -160.38 9.94 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.342 -0.932 . . . . 0.0 112.576 -178.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -142.84 -177.61 5.4 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 -179.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.78 -40.11 14.33 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.667 0.27 . . . . 0.0 110.933 -179.225 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -80.23 58.08 4.63 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.234 -0.508 . . . . 0.0 112.341 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -113.83 120.37 40.51 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.654 0.264 . . . . 0.0 110.379 179.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -148.53 161.98 28.76 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 121.004 -0.617 . . . . 0.0 111.697 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -81.85 63.73 4.33 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.06 179.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.62 -29.68 66.13 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 111.992 0.368 . . . . 0.0 111.992 -175.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -107.98 147.92 16.56 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.245 -0.978 . . . . 0.0 112.574 -178.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.75 60.69 4.59 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 121.394 -0.432 . . . . 0.0 112.193 177.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 24.7 p-80 -135.16 30.75 3.27 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.076 0.465 . . . . 0.0 110.289 178.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -79.38 84.27 5.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.877 177.535 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.36 -54.32 6.92 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.106 -176.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.648 ' HB3' ' HG3' ' A' ' 103' ' ' ARG . 0.0 OUTLIER -80.54 117.39 21.21 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.902 0.382 . . . . 0.0 110.721 179.681 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 179.26 171.8 42.78 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.834 -179.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -68.66 -65.73 2.54 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.995 -0.622 . . . . 0.0 112.158 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -153.65 158.61 41.35 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 178.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 2.5 t -75.31 -32.4 25.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.915 176.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.6 ptp -107.33 59.36 0.62 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.329 176.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -70.59 106.03 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.478 -178.442 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.413 ' HB ' ' H ' ' A' ' 88' ' ' GLY . 2.1 t 54.42 -113.15 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.744 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.413 ' H ' ' HB ' ' A' ' 87' ' ' VAL . . . -144.24 39.55 1.24 Allowed Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.888 -0.673 . . . . 0.0 111.719 178.504 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.617 ' HB3' ' HB2' ' A' ' 92' ' ' LEU . 2.3 mp0 -123.4 101.87 37.04 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 120.789 0.328 . . . . 0.0 110.391 -178.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -57.62 114.09 1.79 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 123.341 2.694 . . . . 0.0 113.209 -176.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 58.46 25.27 12.78 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.234 177.141 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.617 ' HB2' ' HB3' ' A' ' 89' ' ' GLU . 0.1 OUTLIER -93.59 50.52 1.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.345 0.593 . . . . 0.0 110.301 178.11 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 4.5 ttp -129.73 172.47 11.6 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.26 178.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -69.46 102.98 1.02 Allowed Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.089 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -150.81 16.56 0.94 Allowed Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 111.574 -0.61 . . . . 0.0 111.574 -179.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.23 -30.18 68.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.956 0.407 . . . . 0.0 110.612 -179.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.64 ' HD2' ' HB2' ' A' ' 99' ' ' ASP . 0.2 OUTLIER -120.53 131.23 54.59 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.39 178.005 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -101.45 18.89 52.76 Favored Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 111.449 -0.66 . . . . 0.0 111.449 179.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.64 ' HB2' ' HD2' ' A' ' 97' ' ' PHE . 22.0 t0 -67.42 113.59 5.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.458 -0.371 . . . . 0.0 110.371 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -80.5 52.04 1.57 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.4 -175.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.87 11.8 9.69 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.614 176.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.486 ' HA ' ' O ' ' A' ' 49' ' ' SER . 1.2 pt-20 -101.1 -157.25 0.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.882 -178.155 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.648 ' HG3' ' HB3' ' A' ' 80' ' ' SER . 0.0 OUTLIER 58.22 25.46 12.63 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.154 175.072 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.623 HD21 ' HG3' ' A' ' 24' ' ' MET . 1.5 tp -88.05 36.41 0.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.831 0.348 . . . . 0.0 111.295 -179.102 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.942 HG23 HD21 ' A' ' 21' ' ' LEU . 43.9 mt -118.03 102.65 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.108 0.48 . . . . 0.0 110.324 175.461 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.515 ' HB ' ' HB2' ' A' ' 22' ' ' TYR . 18.7 m -105.68 109.45 21.42 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 176.136 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.03 99.35 9.23 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.743 -173.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.09 101.05 7.73 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-O 121.387 0.613 . . . . 0.0 110.376 176.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 112' ' ' GLN . 63.0 mt-10 -106.17 142.56 35.66 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 172.575 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.496 HD21 HG23 ' A' ' 119' ' ' ILE . 3.2 m120 -68.84 5.68 1.06 Allowed 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.389 0.515 . . . . 0.0 112.389 -173.658 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.97 -3.47 54.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.44 172.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 1.0 OUTLIER -79.63 -152.81 0.07 Allowed 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.633 178.745 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -78.98 65.3 4.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.233 0.54 . . . . 0.0 110.314 177.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -153.71 -172.12 4.12 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 -179.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -77.72 121.73 24.41 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 175.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.09 -26.48 68.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.672 -176.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -68.08 -33.34 74.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.008 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 158.06 166.98 18.32 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.295 178.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.496 HG23 HD21 ' A' ' 110' ' ' ASN . 0.6 OUTLIER -81.98 -22.06 9.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.977 0.418 . . . . 0.0 110.083 178.561 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -78.9 69.43 5.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.198 177.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -126.99 109.68 12.17 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.145 -178.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.468 -0.777 . . . . 0.0 110.723 -177.273 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.762 0 N-CA-C 111.744 -0.543 . . . . 0.0 111.744 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.63 94.69 9.95 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 176.287 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.527 HD12 ' HA ' ' A' ' 3' ' ' LEU . 1.7 tp -119.58 78.39 1.31 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.804 -175.435 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.1 9.24 38.54 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.553 0.692 . . . . 0.0 110.135 178.377 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.455 ' HZ3' ' HG3' ' A' ' 14' ' ' LYS . 4.7 p-90 -132.19 -174.89 3.56 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.591 178.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.729 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 11.4 mttt -96.42 112.81 24.42 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.325 0.583 . . . . 0.0 110.896 -178.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.587 ' H ' ' HD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -119.09 117.84 29.8 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.81 -178.001 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.549 ' HB2' HG12 ' A' ' 15' ' ' ILE . 50.6 t -79.79 131.34 35.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.197 0.522 . . . . 0.0 111.648 -178.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -102.17 1.73 36.42 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.997 174.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.401 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -81.24 -54.58 3.5 Favored Glycine 0 N--CA 1.447 -0.609 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.074 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.0 p -103.88 -21.28 13.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.344 0.592 . . . . 0.0 110.249 177.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.48 56.38 2.27 Favored Glycine 0 N--CA 1.444 -0.773 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.258 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -147.92 -151.4 5.43 Favored Glycine 0 N--CA 1.434 -1.451 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.641 178.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.455 ' HG3' ' HZ3' ' A' ' 5' ' ' TRP . 14.9 tttp -102.05 135.87 42.87 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 115.248 -0.476 . . . . 0.0 110.334 178.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.729 ' HB ' ' HB3' ' A' ' 6' ' ' LYS . 3.4 mt -87.79 89.0 2.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.218 0.532 . . . . 0.0 110.75 177.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.529 ' O ' ' HA2' ' A' ' 118' ' ' GLY . . . -100.97 20.35 15.65 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.844 177.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.38 153.86 17.58 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.842 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.549 ' C ' ' HG3' ' A' ' 109' ' ' GLU . 16.7 ttp180 -84.77 11.46 9.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.845 0.355 . . . . 0.0 110.817 179.32 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.879 ' HA ' ' HB3' ' A' ' 109' ' ' GLU . 18.3 m-85 -140.64 110.91 6.65 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 123.054 0.542 . . . . 0.0 109.822 178.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.749 HD12 ' HG2' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -135.19 178.85 6.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.666 0.27 . . . . 0.0 111.399 -177.628 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.611 HD21 HG23 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -145.76 153.96 41.52 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.481 -179.362 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.662 ' HD1' ' CD1' ' A' ' 27' ' ' TYR . 1.9 m-85 -122.14 127.24 49.86 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 172.141 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -152.43 124.03 7.82 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.365 0.126 . . . . 0.0 111.117 -178.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.7 mtm 65.74 33.9 7.9 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.766 0.666 . . . . 0.0 110.769 -179.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 73.07 -15.11 0.55 Allowed 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.898 -178.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.66 145.73 26.03 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.427 -0.582 . . . . 0.0 109.427 174.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.662 ' CD1' ' HD1' ' A' ' 22' ' ' TYR . 5.4 m-85 -99.59 157.7 16.27 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 52.1 m95 -137.83 165.2 27.05 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.852 -172.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.584 ' HB2' ' HB2' ' A' ' 32' ' ' CYS . 0.9 OUTLIER -81.37 -143.33 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.496 0.665 . . . . 0.0 111.208 178.368 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.514 ' H ' ' HB3' ' A' ' 29' ' ' HIS . 0.9 OUTLIER -90.05 -59.17 2.26 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.26 177.468 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -101.92 9.84 40.24 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.458 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.584 ' HB2' ' HB2' ' A' ' 29' ' ' HIS . 8.3 m -79.75 -21.24 44.7 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.997 -0.281 . . . . 0.0 111.143 -177.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -93.24 79.76 4.47 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 170.54 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.61 168.01 18.44 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.92 -1.037 . . . . 0.0 110.435 -173.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.489 ' HB3' ' H ' ' A' ' 39' ' ' GLN . 44.7 t -59.73 160.78 6.98 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.769 179.152 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 54.3 m -84.48 -20.71 31.24 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.536 177.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.48 -47.08 3.02 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.629 -178.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 59.1 m -73.89 -37.71 64.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.875 0.369 . . . . 0.0 110.57 178.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.489 ' H ' ' HB3' ' A' ' 35' ' ' CYS . 1.1 mt-30 62.5 28.72 16.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.642 -176.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.59 146.93 26.53 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-N 115.221 -0.899 . . . . 0.0 108.708 172.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -59.89 127.54 32.41 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.195 -176.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.874 HD11 ' HA ' ' A' ' 58' ' ' CYS . 0.0 OUTLIER -74.33 -0.14 16.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.346 -178.406 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -106.18 3.67 37.99 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 121.204 -0.522 . . . . 0.0 112.356 179.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -98.1 -47.01 5.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.03 0.443 . . . . 0.0 110.504 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.1 pt -85.36 57.63 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.438 0.637 . . . . 0.0 110.061 176.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 89.19 -159.82 29.03 Favored Glycine 0 N--CA 1.447 -0.603 0 N-CA-C 110.145 -1.182 . . . . 0.0 110.145 -171.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.615 HG22 HG21 ' A' ' 105' ' ' ILE . 0.1 OUTLIER -142.52 102.41 4.06 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 117.884 0.842 . . . . 0.0 111.437 175.759 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.463 ' HB3' ' O ' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -162.78 117.32 1.75 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.835 176.158 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.488 ' O ' ' HG3' ' A' ' 102' ' ' GLU . 0.1 OUTLIER -100.99 112.38 24.81 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 175.384 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.719 ' CD1' ' HB2' ' A' ' 102' ' ' GLU . 15.1 m-85 -80.7 161.61 24.53 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.003 -176.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.2 108.82 9.98 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.661 178.12 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.585 ' HG2' ' HE1' ' A' ' 62' ' ' TYR . 0.9 OUTLIER -152.69 123.37 7.33 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.9 m 66.24 17.05 10.64 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.211 0.319 . . . . 0.0 110.953 -177.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.85 13.55 82.32 Favored Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -173.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.16 158.04 17.78 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.178 -0.511 . . . . 0.0 110.369 -177.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.1 mt -115.8 125.25 72.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.037 176.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.442 ' HB3' ' HB3' ' A' ' 61' ' ' ASP . 1.0 OUTLIER -131.97 168.49 17.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.807 -175.467 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.874 ' HA ' HD11 ' A' ' 42' ' ' LEU . 30.7 p -79.91 -174.65 4.52 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 174.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.716 ' HA ' ' HE2' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -69.67 -51.16 37.11 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.616 -0.434 . . . . 0.0 109.945 176.656 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -55.36 -49.96 70.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.034 178.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.618 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 0.4 OUTLIER -62.56 -40.64 97.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.572 179.718 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.585 ' HE1' ' HG2' ' A' ' 52' ' ' LYS . 58.0 t80 -56.61 -49.53 74.69 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.764 0.316 . . . . 0.0 111.281 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.689 HG12 ' O ' ' A' ' 59' ' ' ARG . 1.9 mm -71.45 -36.95 62.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.012 -178.215 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.4 mtp85 -72.06 -45.37 61.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.39 -178.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.492 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 0.2 OUTLIER -69.3 -57.42 5.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.657 -175.929 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -117.37 -41.46 2.97 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.581 -0.447 . . . . 0.0 111.671 -173.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 81.07 -48.72 3.83 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.449 -177.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -50.77 106.22 0.12 Allowed 'General case' 0 C--N 1.333 -0.111 0 C-N-CA 122.727 0.411 . . . . 0.0 111.3 -179.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.455 ' HB3' ' HE2' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -111.24 179.88 3.91 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.286 -179.158 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -87.02 -15.74 62.28 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.806 -0.711 . . . . 0.0 111.423 177.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.831 ' HA ' ' HB3' ' A' ' 97' ' ' PHE . . . 59.66 45.69 12.72 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.05 0.452 . . . . 0.0 110.704 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.66 ' HA2' ' HG3' ' A' ' 93' ' ' MET . . . -126.39 -49.78 0.18 Allowed Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 120.537 -0.839 . . . . 0.0 112.736 -178.579 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.558 ' HA2' ' HA ' ' A' ' 101' ' ' ASP . . . 64.77 -138.64 40.12 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.577 -0.821 . . . . 0.0 111.105 -175.615 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.536 ' HB2' ' NH1' ' A' ' 103' ' ' ARG . 61.3 m -155.82 -24.56 0.11 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.86 0.362 . . . . 0.0 110.935 175.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.447 ' HA2' ' HG ' ' A' ' 92' ' ' LEU . . . 118.92 31.22 1.47 Allowed Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.92 -0.657 . . . . 0.0 111.706 -178.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -73.45 141.94 30.57 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 121.17 -0.538 . . . . 0.0 112.291 -179.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -103.97 1.08 30.75 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.818 0.342 . . . . 0.0 110.423 -179.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.26 53.6 0.49 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.855 178.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -79.15 -102.53 0.23 Allowed Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.658 -176.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.53 -43.64 38.39 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.891 0.377 . . . . 0.0 110.999 -179.08 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 173.34 83.59 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.091 179.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 132.15 -171.17 21.53 Favored Glycine 0 N--CA 1.447 -0.585 0 N-CA-C 111.486 -0.646 . . . . 0.0 111.486 -177.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.12 173.01 7.95 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.995 0.398 . . . . 0.0 110.948 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.807 HG23 ' HA3' ' A' ' 98' ' ' GLY . 1.5 p -71.61 113.17 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.779 -178.16 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 55.76 54.19 8.52 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.584 -177.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.433 HG12 ' H ' ' A' ' 86' ' ' VAL . 1.6 p -68.39 -31.92 53.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.916 -178.458 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 39.6 t -93.07 83.2 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.191 176.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 141.94 -163.67 26.94 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.034 -177.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -78.54 139.28 58.95 Favored Pre-proline 0 C--N 1.323 -0.578 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 178.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -60.9 89.28 0.09 OUTLIER 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 123.168 2.578 . . . . 0.0 112.773 -177.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -139.69 132.67 29.42 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.718 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.447 ' HG ' ' HA2' ' A' ' 75' ' ' GLY . 3.8 mp -65.11 -51.07 63.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.008 0.433 . . . . 0.0 110.283 -177.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.66 ' HG3' ' HA2' ' A' ' 72' ' ' GLY . 0.7 OUTLIER -126.29 91.27 3.33 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.657 -0.702 . . . . 0.0 109.415 175.185 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -140.63 58.09 0.58 Allowed Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.838 -174.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 98.25 -53.97 1.16 Allowed Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.07 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -100.52 149.71 23.42 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 177.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.831 ' HB3' ' HA ' ' A' ' 71' ' ' ALA . 0.0 OUTLIER -71.17 116.93 12.05 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 176.064 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.807 ' HA3' HG23 ' A' ' 84' ' ' VAL . . . -52.75 -70.41 0.92 Allowed Glycine 0 N--CA 1.452 -0.236 0 CA-C-N 115.337 -0.847 . . . . 0.0 113.547 -170.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.65 -97.25 0.24 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 -179.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.519 ' HB3' ' OH ' ' A' ' 50' ' ' TYR . 3.0 mt-10 -100.29 -102.39 0.24 Allowed 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 173.236 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.558 ' HA ' ' HA2' ' A' ' 73' ' ' GLY . 0.5 OUTLIER -174.56 -51.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.042 0.448 . . . . 0.0 110.829 173.918 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.719 ' HB2' ' CD1' ' A' ' 50' ' ' TYR . 2.1 mm-40 -89.9 165.93 13.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.773 -176.361 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.536 ' NH1' ' HB2' ' A' ' 74' ' ' SER . 0.0 OUTLIER -163.04 23.42 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.346 178.275 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 8.4 mt -79.71 41.69 0.5 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.716 -176.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.615 HG21 HG22 ' A' ' 47' ' ' THR . 1.8 mt -106.78 107.45 22.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.225 0.536 . . . . 0.0 110.707 177.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.548 ' HB ' ' HD2' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -100.65 100.38 11.08 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.493 -0.776 . . . . 0.0 108.971 174.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.489 ' NH2' ' HB3' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -125.29 107.15 10.42 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -172.51 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.87 98.25 3.09 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.221 168.239 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.879 ' HB3' ' HA ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -144.28 120.9 11.12 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.921 0.391 . . . . 0.0 110.508 176.082 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 2.1 t30 175.63 -59.31 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 107.173 -1.418 . . . . 0.0 107.173 175.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -146.68 38.95 1.03 Allowed 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 113.932 -1.485 . . . . 0.0 109.563 177.08 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.416 ' HG3' ' HA ' ' A' ' 115' ' ' ALA . 0.0 OUTLIER -68.17 169.62 10.0 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.221 -179.442 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -65.78 114.69 5.22 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 178.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.9 t0 62.29 54.69 2.53 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.884 -171.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.416 ' HA ' ' HG3' ' A' ' 112' ' ' GLN . . . -67.63 157.06 35.38 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.41 -0.813 . . . . 0.0 111.285 -177.113 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -86.35 139.35 31.05 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.573 174.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -121.56 134.85 55.03 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.198 -178.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.529 ' HA2' ' O ' ' A' ' 16' ' ' ALA . . . -65.62 -50.24 55.48 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 121.006 -0.616 . . . . 0.0 111.847 179.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -149.03 129.29 4.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.173 0.511 . . . . 0.0 110.996 177.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -90.33 77.15 6.66 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 174.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -78.06 74.36 4.61 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.555 -171.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 . . . . . 0 C--O 1.245 0.856 0 CA-C-O 118.809 -0.615 . . . . 0.0 109.684 176.164 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.703 0 N-CA-C 111.911 -0.476 . . . . 0.0 111.911 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -92.65 110.75 22.18 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.804 0.335 . . . . 0.0 110.724 -179.501 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 23.8 mt -77.34 -36.58 53.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.345 0.593 . . . . 0.0 109.721 178.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.99 -171.11 2.25 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.366 -0.834 . . . . 0.0 108.875 172.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -76.72 138.38 39.93 Favored 'General case' 0 N--CA 1.439 -0.983 0 C-N-CA 119.403 -0.919 . . . . 0.0 110.907 -179.396 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.471 ' HG3' ' HD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -80.29 170.33 16.54 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.653 -1.158 . . . . 0.0 110.037 -178.857 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.462 ' HE ' ' HB2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -152.92 162.14 41.68 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.315 178.743 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.535 ' HB2' HG12 ' A' ' 15' ' ' ILE . 54.1 t -82.36 128.6 34.39 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.365 177.486 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -92.78 0.09 57.35 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.242 177.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.761 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -81.44 -61.25 2.11 Favored Glycine 0 N--CA 1.446 -0.633 0 CA-C-N 115.802 -0.635 . . . . 0.0 112.832 -177.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.0 p -84.91 -81.93 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.925 0.393 . . . . 0.0 110.053 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.2 48.81 0.01 OUTLIER Glycine 0 N--CA 1.443 -0.89 0 C-N-CA 120.583 -0.818 . . . . 0.0 113.034 176.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -158.7 -147.16 4.76 Favored Glycine 0 N--CA 1.434 -1.46 0 C-N-CA 120.565 -0.826 . . . . 0.0 111.488 176.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.53 150.67 22.43 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 115.41 -0.395 . . . . 0.0 110.217 178.072 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.535 HG12 ' HB2' ' A' ' 8' ' ' CYS . 1.4 mt -85.85 89.69 2.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.451 0.643 . . . . 0.0 110.22 179.464 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -100.28 12.42 37.13 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.535 -177.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.26 159.48 15.09 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.37 -179.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.4 -8.36 55.13 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.753 -179.253 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.452 ' HE1' ' HB2' ' A' ' 110' ' ' ASN . 3.0 m-85 -115.7 115.8 26.98 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 176.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.403 ' HG ' ' N ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -145.99 173.37 12.22 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.732 -176.317 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.498 HD22 ' HG ' ' A' ' 33' ' ' LEU . 0.3 OUTLIER -135.46 144.72 46.57 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.445 179.132 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.511 ' HD2' ' CE1' ' A' ' 27' ' ' TYR . 9.8 m-85 -114.73 121.05 42.15 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 175.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -152.28 133.1 14.08 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.726 -176.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.2 mtm 61.31 36.49 17.63 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.016 178.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 65.84 4.9 3.14 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.226 -178.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.73 152.33 26.7 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 176.402 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.517 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 6.7 m-30 -105.48 147.01 28.77 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -177.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.493 ' HA ' ' SG ' ' A' ' 8' ' ' CYS . 16.9 m95 -143.54 175.45 9.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.932 -171.103 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.726 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 29.9 m80 -97.8 171.22 8.44 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 168.266 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.15 -44.1 97.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.892 0.377 . . . . 0.0 110.678 177.482 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -90.71 10.4 26.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.277 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.761 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 94.9 m -108.16 -32.89 7.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.708 -0.224 . . . . 0.0 111.234 178.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.498 ' HG ' HD22 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -79.98 83.54 5.87 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 174.408 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.504 ' HB3' ' HA ' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -148.85 178.66 8.48 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.98 -173.466 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 7.8 t -59.64 131.0 49.59 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.346 175.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.13 7.67 18.08 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.153 0.502 . . . . 0.0 110.172 176.047 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.83 -61.62 1.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.478 -176.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.422 ' SG ' ' HB2' ' A' ' 40' ' ' ALA . 14.5 p -106.76 -1.63 22.4 Favored 'General case' 0 C--O 1.231 0.129 0 C-N-CA 120.944 -0.303 . . . . 0.0 111.412 -177.674 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 69.72 21.23 6.6 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.131 178.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.422 ' HB2' ' SG ' ' A' ' 38' ' ' CYS . . . -61.19 117.9 6.16 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.138 0.494 . . . . 0.0 110.19 174.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.504 ' HA ' ' HB3' ' A' ' 34' ' ' LYS . 0.7 OUTLIER -64.46 102.46 0.55 Allowed 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 114.592 -1.186 . . . . 0.0 110.241 -176.716 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.483 HD11 ' O ' ' A' ' 57' ' ' LEU . 8.0 mt -74.66 -2.36 25.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.368 -172.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -112.75 6.67 25.95 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.814 -0.708 . . . . 0.0 111.633 177.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -109.32 -54.97 2.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.763 0.316 . . . . 0.0 111.078 -178.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -85.72 53.69 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.135 0.493 . . . . 0.0 110.481 179.137 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.86 113.99 2.43 Favored Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -175.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.21 105.06 8.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.21 0.529 . . . . 0.0 110.835 -173.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.572 ' N ' HD12 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -159.76 129.94 5.56 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.25 -0.887 . . . . 0.0 109.89 179.815 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.442 ' N ' HG13 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -94.04 127.08 39.64 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 -179.436 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.461 ' HE2' ' HA ' ' A' ' 59' ' ' ARG . 4.6 m-30 -95.48 138.44 33.16 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 179.448 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.837 ' HB ' ' HD3' ' A' ' 103' ' ' ARG . 28.2 m -136.18 105.25 5.94 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.449 -0.796 . . . . 0.0 112.46 -167.013 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.406 ' HD3' ' CG ' ' A' ' 66' ' ' PHE . 0.6 OUTLIER -155.34 126.96 7.39 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 172.235 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 34.0 m 67.1 20.38 10.33 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.259 -170.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 14.68 61.3 Favored Glycine 0 C--N 1.333 0.408 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 -173.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 13.3 ttm -101.92 149.18 24.48 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.526 -0.337 . . . . 0.0 110.433 -176.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.459 HD13 HD22 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -107.83 126.91 64.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.656 179.667 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.545 HD11 ' HE2' ' A' ' 66' ' ' PHE . 0.3 OUTLIER -140.22 172.56 12.57 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.789 -179.324 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.657 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 26.5 p -84.48 175.7 9.13 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 172.327 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.463 ' HA ' ' HD2' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -66.91 -30.23 70.33 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.665 0.269 . . . . 0.0 110.814 179.509 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -76.59 -46.9 24.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.757 179.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.657 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 0.8 OUTLIER -68.84 -27.4 65.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.758 179.826 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.476 ' HB2' ' O ' ' A' ' 58' ' ' CYS . 8.3 t80 -55.3 -52.32 63.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.648 176.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.498 ' O ' ' HA3' ' A' ' 67' ' ' GLY . 0.4 OUTLIER -79.24 -11.05 12.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.181 -178.696 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.57 -39.81 19.9 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.046 0.45 . . . . 0.0 110.167 177.104 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' A' ' 65' ' ' LEU . 0.1 OUTLIER -84.64 -41.4 16.38 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.654 -177.375 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.545 ' HE2' HD11 ' A' ' 57' ' ' LEU . 82.3 m-85 -119.31 7.51 11.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.806 -173.346 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.498 ' HA3' ' O ' ' A' ' 63' ' ' ILE . . . -70.9 93.04 0.48 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.388 -179.467 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -93.12 118.68 31.5 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 -178.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.482 ' HA ' ' HB2' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -80.84 22.81 0.58 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.787 -177.555 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.81 84.59 0.78 Allowed Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.913 177.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -148.27 149.9 32.71 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.84 0.352 . . . . 0.0 110.746 -177.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -119.21 5.66 13.32 Favored Glycine 0 N--CA 1.444 -0.787 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.667 178.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.52 30.52 48.86 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 121.106 -0.569 . . . . 0.0 112.219 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.38 27.4 5.59 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.856 0.36 . . . . 0.0 111.275 -177.411 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 152.39 -124.87 1.71 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.455 -0.879 . . . . 0.0 112.566 178.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 82.47 -80.92 1.75 Allowed Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 121.114 -0.565 . . . . 0.0 112.112 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.434 ' HB2' ' CA ' ' A' ' 98' ' ' GLY . 0.1 OUTLIER -174.12 153.31 2.03 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.469 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.524 ' HB3' ' HA2' ' A' ' 88' ' ' GLY . 0.0 OUTLIER -86.08 55.76 3.68 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 172.895 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.846 ' HA3' HG11 ' A' ' 86' ' ' VAL . . . 95.9 126.15 4.95 Favored Glycine 0 N--CA 1.444 -0.782 0 CA-C-N 114.968 -1.014 . . . . 0.0 111.471 -173.361 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.2 m -62.63 129.88 42.55 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 178.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 111.58 -30.61 7.72 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -172.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.33 -110.47 3.14 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.624 178.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.606 ' HA ' ' HA ' ' A' ' 87' ' ' VAL . 0.1 OUTLIER -78.98 -23.57 44.38 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.981 0.419 . . . . 0.0 110.054 179.107 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 16.4 t -67.51 107.38 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.444 178.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.1 tmt? 70.54 -51.39 0.66 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.787 0.835 . . . . 0.0 112.393 178.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.846 HG11 ' HA3' ' A' ' 79' ' ' GLY . 3.0 t -68.89 -45.65 80.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.981 -178.19 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.606 ' HA ' ' HA ' ' A' ' 83' ' ' ASP . 2.3 t 59.75 31.81 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.521 -178.291 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.524 ' HA2' ' HB3' ' A' ' 78' ' ' MET . . . 77.49 74.45 0.99 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.963 -0.637 . . . . 0.0 112.33 179.395 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.428 ' HB2' HG12 ' A' ' 86' ' ' VAL . 2.2 mm-40 -131.84 125.54 20.36 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 120.724 0.297 . . . . 0.0 110.984 -178.278 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -75.31 -20.85 15.88 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 122.823 2.349 . . . . 0.0 112.734 -177.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.62 -19.97 61.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.124 0.488 . . . . 0.0 110.669 179.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.533 HD13 HG13 ' A' ' 86' ' ' VAL . 0.1 OUTLIER -88.19 148.61 24.3 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.828 174.749 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 4.4 ttm -64.32 131.41 47.21 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 177.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -169.35 -33.51 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.237 -176.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.41 -38.96 97.19 Favored Glycine 0 N--CA 1.451 -0.359 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 176.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.482 ' HB2' ' HA ' ' A' ' 69' ' ' SER . 1.1 pm0 -95.36 108.68 20.87 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 172.145 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 10.9 t80 75.61 78.23 0.1 Allowed 'General case' 0 C--O 1.235 0.34 0 O-C-N 123.909 0.756 . . . . 0.0 110.333 -174.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.434 ' CA ' ' HB2' ' A' ' 77' ' ' HIS . . . -89.12 57.52 3.97 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.505 -0.77 . . . . 0.0 113.067 -177.591 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -95.4 -175.07 3.37 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 176.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -100.23 -119.55 0.16 Allowed 'General case' 0 N--CA 1.443 -0.783 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 171.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.418 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 0.7 OUTLIER -177.59 -68.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.734 171.681 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -76.28 138.62 40.66 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.347 -176.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.837 ' HD3' ' HB ' ' A' ' 51' ' ' THR . 0.2 OUTLIER -118.66 -112.07 0.34 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.685 -179.477 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.665 HD23 ' H ' ' A' ' 104' ' ' LEU . 2.6 pt? -116.91 106.47 13.47 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -173.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.572 HD12 ' N ' ' A' ' 48' ' ' SER . 0.3 OUTLIER -110.42 131.05 62.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 O-C-N 121.921 -0.487 . . . . 0.0 109.83 171.717 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.412 ' HB ' ' HB2' ' A' ' 22' ' ' TYR . 8.7 m -125.45 111.23 14.86 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.671 -0.862 . . . . 0.0 108.671 176.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 107' ' ' ARG . 0.0 OUTLIER -120.09 138.15 53.72 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 121.912 -0.493 . . . . 0.0 111.06 -172.196 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -142.61 133.17 25.14 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 175.212 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.739 ' HG3' ' HG3' ' A' ' 112' ' ' GLN . 0.1 OUTLIER -116.19 162.71 17.06 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.846 -174.819 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.452 ' HB2' ' HE1' ' A' ' 19' ' ' PHE . 50.1 t30 0.21 76.22 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.186 0 O-C-N 125.398 1.686 . . . . 0.0 114.637 -179.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 41.7 49.81 3.84 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.59 176.356 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.739 ' HG3' ' HG3' ' A' ' 109' ' ' GLU . 6.6 mm-40 -67.28 -15.11 63.5 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -174.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -100.27 7.95 44.07 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.909 0.385 . . . . 0.0 111.015 -179.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -156.09 -145.89 0.16 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.763 -178.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -80.85 113.33 18.98 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 175.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.15 103.71 0.41 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.207 -178.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -128.68 -63.1 0.99 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.216 -179.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 159.61 -110.12 0.43 Allowed Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.562 179.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.474 HG13 ' H ' ' A' ' 120' ' ' ASP . 3.0 tp -171.65 163.09 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 -179.092 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.474 ' H ' HG13 ' A' ' 119' ' ' ILE . 8.3 t0 64.39 35.94 9.32 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.276 0.56 . . . . 0.0 110.644 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -104.45 178.17 4.64 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.058 -177.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 16.9 mp0 . . . . . 0 C--O 1.252 1.191 0 CA-C-O 118.511 -0.757 . . . . 0.0 110.624 179.432 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.625 0 N-CA-C 111.718 -0.553 . . . . 0.0 111.718 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -58.1 5.93 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.625 0.212 . . . . 0.0 110.705 -178.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 64.57 -77.75 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.16 0.584 . . . . 0.0 110.98 179.577 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.33 113.18 12.42 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 173.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.455 ' HZ3' ' H ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -104.3 3.9 33.06 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.254 -170.395 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.497 ' HE2' ' CE1' ' A' ' 27' ' ' TYR . 2.8 mttm 59.3 -154.06 0.37 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.302 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.455 ' NH2' ' HA2' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -159.24 145.6 16.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.919 -0.128 . . . . 0.0 110.787 -178.649 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.431 ' HA ' ' O ' ' A' ' 27' ' ' TYR . 53.3 t -75.17 121.63 22.4 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 175.391 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.64 -4.22 58.89 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.364 178.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.997 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -78.64 -47.22 8.08 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.261 178.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.1 p -107.35 -101.19 0.36 Allowed 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.239 176.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.455 ' HA2' ' NH2' ' A' ' 7' ' ' ARG . . . -174.87 29.53 0.08 OUTLIER Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.784 178.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -143.47 -148.87 4.99 Favored Glycine 0 N--CA 1.436 -1.365 0 C-N-CA 120.304 -0.95 . . . . 0.0 111.808 178.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.43 ' HE3' ' HB3' ' A' ' 5' ' ' TRP . 6.2 mtpp -100.8 163.24 12.41 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 175.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.574 HG23 ' CD2' ' A' ' 29' ' ' HIS . 3.4 mt -96.63 111.98 27.8 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-O 121.041 0.448 . . . . 0.0 111.668 -174.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.39 -16.75 47.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.439 178.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.77 142.64 57.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.171 177.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.453 ' HD3' ' OD1' ' A' ' 117' ' ' ASN . 8.5 ttm180 -74.76 -38.24 62.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.967 177.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -97.55 92.04 5.73 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.499 178.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.59 -173.2 2.34 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.482 -176.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.518 HD21 ' HA ' ' A' ' 105' ' ' ILE . 0.2 OUTLIER -146.58 144.56 29.65 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.012 -178.297 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.647 ' O ' ' HB ' ' A' ' 106' ' ' THR . 2.3 m-85 -107.64 118.29 36.33 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 175.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.683 ' HB3' ' CD1' ' A' ' 28' ' ' TRP . . . -152.08 134.22 15.07 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.277 -0.569 . . . . 0.0 111.19 176.552 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.7 mtm 63.8 32.31 13.58 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.035 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 65.72 16.57 10.55 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.869 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.37 -177.86 4.59 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.473 -0.785 . . . . 0.0 108.934 176.044 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.554 ' HB3' ' CD1' ' A' ' 15' ' ' ILE . 13.4 m-30 -107.98 161.31 15.06 Favored 'General case' 0 C--N 1.311 -1.071 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.665 -177.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.683 ' CD1' ' HB3' ' A' ' 23' ' ' ALA . 81.0 m95 -142.71 132.36 23.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.442 -179.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.651 ' HB2' ' HB2' ' A' ' 32' ' ' CYS . 2.6 m80 -74.32 177.47 5.85 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.22 178.623 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.0 m -66.69 -40.63 88.62 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.555 175.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.683 ' HA ' ' NE2' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -96.86 -14.24 21.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.398 179.876 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.997 ' HB3' ' HA3' ' A' ' 10' ' ' GLY . 58.3 m -79.34 -36.89 38.72 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 121.177 -0.209 . . . . 0.0 110.643 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.651 ' HB2' ' HB3' ' A' ' 28' ' ' TRP . 8.1 tp -81.59 83.66 6.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.558 0.694 . . . . 0.0 109.587 172.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.14 156.26 48.61 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.382 -179.406 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 15.9 t -60.09 136.42 58.01 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.942 177.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 m -83.27 -0.77 51.07 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 175.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.56 -54.76 2.51 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.733 -177.34 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.417 ' SG ' ' HB2' ' A' ' 40' ' ' ALA . 17.3 p -113.74 -1.2 14.02 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.418 -0.513 . . . . 0.0 111.776 -177.11 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 73.9 mm-40 67.06 21.04 10.29 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.369 0.667 . . . . 0.0 112.035 178.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.417 ' HB2' ' SG ' ' A' ' 38' ' ' CYS . . . -58.17 126.46 27.61 Favored 'General case' 0 N--CA 1.446 -0.675 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 175.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.683 ' NE2' ' HA ' ' A' ' 31' ' ' ARG . 3.1 tp60 -72.07 74.73 0.93 Allowed 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 114.909 -1.042 . . . . 0.0 110.863 -175.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.531 HD21 ' HA ' ' A' ' 58' ' ' CYS . 96.3 mt -51.83 -43.34 63.13 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.535 -1.211 . . . . 0.0 112.309 -176.209 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -94.15 44.18 2.34 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.987 -179.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -156.29 -52.31 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.798 0.299 . . . . 0.0 111.703 178.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 pt -90.05 50.72 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-O 121.364 0.602 . . . . 0.0 111.199 -178.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 115.82 -158.13 14.6 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 -177.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.72 HG22 HG21 ' A' ' 105' ' ' ILE . 0.7 OUTLIER -136.32 103.92 5.45 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 117.339 0.57 . . . . 0.0 111.196 177.336 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.602 ' HB3' ' HG2' ' A' ' 102' ' ' GLU . 0.8 OUTLIER -160.27 150.78 18.52 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.6 177.816 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.594 ' OG ' HG13 ' A' ' 105' ' ' ILE . 17.1 p -174.99 151.7 1.38 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.86 0.362 . . . . 0.0 110.424 176.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.595 ' HE2' ' HB3' ' A' ' 101' ' ' ASP . 2.1 m-85 -141.93 148.39 38.59 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.276 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.4 m -137.86 111.01 7.83 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.079 0.466 . . . . 0.0 111.019 -179.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.491 ' O ' ' HG2' ' A' ' 55' ' ' MET . 5.2 mttt -155.11 151.56 28.45 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 177.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.422 ' HB2' ' O ' ' A' ' 52' ' ' LYS . 10.0 m 67.15 12.44 8.95 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.356 0.41 . . . . 0.0 111.534 -177.435 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 81.83 3.1 90.69 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.095 -177.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.491 ' HG2' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -114.94 165.36 12.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.395 0.617 . . . . 0.0 110.425 177.573 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.1 mp -112.12 135.91 49.96 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.624 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.598 HD11 ' HE2' ' A' ' 66' ' ' PHE . 0.7 OUTLIER -128.65 168.98 15.0 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.249 -175.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.811 ' SG ' ' HB2' ' A' ' 61' ' ' ASP . 7.6 p -87.55 -174.22 4.7 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.141 172.384 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.695 ' HD2' ' HB2' ' A' ' 101' ' ' ASP . 0.1 OUTLIER -68.09 -43.57 78.2 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 173.858 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -66.83 -47.91 70.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.578 -179.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.811 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 1.4 m-20 -69.07 -28.89 66.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.405 -175.176 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.589 ' HD2' HD13 ' A' ' 63' ' ' ILE . 77.3 t80 -62.48 -53.2 58.39 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.939 178.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.589 HD13 ' HD2' ' A' ' 62' ' ' TYR . 0.2 OUTLIER -67.28 -29.07 44.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.96 0.41 . . . . 0.0 110.444 -177.577 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -70.81 -45.46 64.58 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.745 177.266 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.14 -60.96 1.99 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.736 -177.061 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.598 ' HE2' HD11 ' A' ' 57' ' ' LEU . 22.6 m-85 -108.84 -41.04 4.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.613 -173.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 97.78 155.91 29.96 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.264 -0.969 . . . . 0.0 112.521 179.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -75.84 109.13 9.2 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 176.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.78 -12.46 61.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.864 -173.213 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.45 16.57 36.74 Favored Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 120.431 -0.89 . . . . 0.0 113.531 173.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.589 ' H ' ' HE1' ' A' ' 97' ' ' PHE . . . -81.15 71.45 8.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.065 0.46 . . . . 0.0 111.116 178.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 138.08 172.76 12.67 Favored Glycine 0 N--CA 1.445 -0.748 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.102 -179.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -109.48 9.75 32.91 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.99 -0.624 . . . . 0.0 111.619 178.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.06 128.36 36.03 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 122.377 0.271 . . . . 0.0 110.917 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.9 75.09 0.93 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.043 -178.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.435 ' HA2' ' HA2' ' A' ' 82' ' ' GLY . . . -74.69 61.86 2.42 Favored Glycine 0 CA--C 1.52 0.346 0 C-N-CA 121.371 -0.442 . . . . 0.0 113.422 -176.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -169.46 162.58 10.22 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 176.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.31 110.14 0.58 Allowed 'General case' 0 C--N 1.332 -0.172 0 O-C-N 123.355 0.409 . . . . 0.0 110.812 -178.451 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 144.97 -30.99 1.77 Allowed Glycine 0 N--CA 1.445 -0.746 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.564 -176.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 28.3 m -133.66 -145.18 0.24 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 110.45 -0.204 . . . . 0.0 110.45 178.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -85.33 53.7 4.79 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.909 -178.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.435 ' HA2' ' HA2' ' A' ' 76' ' ' GLY . . . -85.1 62.92 4.46 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.955 -0.64 . . . . 0.0 112.271 178.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -114.27 145.2 42.05 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.586 0.231 . . . . 0.0 110.484 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 55.3 t -73.16 -67.19 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.256 178.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.4 tpp -92.38 81.72 4.91 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.081 177.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -69.08 117.37 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.08 -177.542 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.7 t -90.48 -38.54 10.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.043 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -77.53 99.39 1.47 Allowed Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 111.319 -0.712 . . . . 0.0 111.319 175.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 60.81 79.06 0.29 Allowed Pre-proline 0 C--N 1.331 -0.221 0 CA-C-O 121.148 0.499 . . . . 0.0 111.078 -175.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_exo -66.32 -15.12 47.04 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.908 2.405 . . . . 0.0 111.741 178.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.0 100.07 0.71 Allowed 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.323 176.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.2 mp -61.1 -32.09 71.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.012 -175.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.03 63.62 8.13 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.193 0.52 . . . . 0.0 109.929 174.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 172.14 -152.91 18.21 Favored Glycine 0 N--CA 1.446 -0.637 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.022 -177.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 104.04 158.21 24.26 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 121.02 -0.61 . . . . 0.0 111.871 -179.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.68 -38.3 33.89 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.886 0.374 . . . . 0.0 110.756 -177.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.589 ' HE1' ' H ' ' A' ' 71' ' ' ALA . 41.1 m-85 -72.11 131.11 42.39 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 176.27 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -80.53 -100.68 0.31 Allowed Glycine 0 CA--C 1.512 -0.12 0 C-N-CA 120.853 -0.689 . . . . 0.0 113.858 -170.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -67.93 -78.87 0.06 Allowed 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -177.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -100.95 -40.71 7.13 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 168.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.695 ' HB2' ' HD2' ' A' ' 59' ' ' ARG . 1.5 m-20 -149.02 -52.84 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.195 -1.366 . . . . 0.0 108.778 174.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.602 ' HG2' ' HB3' ' A' ' 48' ' ' SER . 0.1 OUTLIER -44.11 128.77 6.01 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 113.901 -1.499 . . . . 0.0 112.779 -179.514 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.38 23.73 0.16 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.141 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.481 ' HB3' ' OG ' ' A' ' 49' ' ' SER . 0.4 OUTLIER -112.48 -36.6 5.2 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 -177.342 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.72 HG21 HG22 ' A' ' 47' ' ' THR . 2.0 mt -70.52 119.61 16.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.353 0.597 . . . . 0.0 111.17 -178.408 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.647 ' HB ' ' O ' ' A' ' 22' ' ' TYR . 47.6 m -111.14 90.06 3.23 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 173.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.46 118.84 17.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.145 -172.439 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.678 HD23 ' HB3' ' A' ' 112' ' ' GLN . 0.1 OUTLIER -144.88 124.92 13.56 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.946 -179.82 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.86 163.1 16.58 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 177.21 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -52.57 -36.84 56.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.925 -174.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.45 29.92 7.26 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.584 -178.311 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.678 ' HB3' HD23 ' A' ' 108' ' ' LEU . 11.1 tt0 -80.13 62.95 4.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.338 0.589 . . . . 0.0 110.775 179.709 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -96.24 -59.65 1.79 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.601 177.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -137.95 -47.92 0.55 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.481 175.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -100.23 160.49 14.29 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.342 177.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -94.1 145.15 24.89 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 179.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.453 ' OD1' ' HD3' ' A' ' 18' ' ' ARG . 25.9 t-20 -97.44 -62.25 1.28 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.042 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 92.2 -70.41 1.74 Allowed Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 176.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -175.86 -37.1 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 CA-C-N 116.633 0.216 . . . . 0.0 111.53 179.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 27.21 -88.52 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 125.157 1.383 . . . . 0.0 114.309 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 72.56 44.34 0.41 Allowed 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 121.689 0.757 . . . . 0.0 109.798 -174.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 . . . . . 0 C--O 1.25 1.111 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.77 179.349 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_