data_2nz3_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 2nz3 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.0 m . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.551 0.215 . . . . 0.0 110.44 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.7 t -178.75 -140.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.402 ' O ' ' HB3' ' A' ' 5' ' ' LEU . 28.4 t70 -164.68 43.59 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.174 0.511 . . . . 0.0 109.679 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.402 ' HB3' ' O ' ' A' ' 4' ' ' ASP . 25.7 tp 69.28 -53.76 0.59 Allowed 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.173 -0.921 . . . . 0.0 112.9 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.521 ' O ' ' HB2' ' A' ' 7' ' ' SER . . . 65.22 -82.61 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.634 0 O-C-N 123.712 0.632 . . . . 0.0 110.437 -179.007 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.521 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 6.7 t 171.31 -112.37 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.778 0 O-C-N 124.008 0.818 . . . . 0.0 109.061 178.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.424 ' H ' ' HB3' ' A' ' 7' ' ' SER . 12.1 mt -104.32 39.49 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 122.307 1.051 . . . . 0.0 109.119 179.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.462 ' CE1' ' HB2' ' A' ' 6' ' ' ALA . 0.1 OUTLIER -163.73 35.26 0.09 Allowed 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.212 -1.358 . . . . 0.0 109.384 179.78 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -57.31 -24.05 52.5 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.775 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.6 m -63.5 -3.6 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.562 -0.745 . . . . 0.0 112.283 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.621 ' O ' ' HB2' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -69.71 57.83 0.14 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.691 0.758 . . . . 0.0 111.91 179.656 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.589 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 54.8 p-80 -159.52 -37.98 0.06 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.479 178.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.02 -42.85 36.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.736 0.303 . . . . 0.0 111.09 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -64.48 -50.26 68.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.51 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.522 ' SG ' ' HA ' ' A' ' 13' ' ' HIS . 2.4 p -64.34 -41.2 96.89 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.449 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.592 ' HA ' ' SG ' ' A' ' 38' ' ' CYS . . . -58.37 -30.49 66.82 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -179.135 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -48.32 -45.31 34.97 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 -64.98 -44.69 88.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.173 0.511 . . . . 0.0 110.816 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.629 ' HB3' ' O ' ' A' ' 39' ' ' ARG . 60.7 m -68.66 -53.67 21.01 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.761 -178.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.504 HD13 ' HB2' ' A' ' 17' ' ' ALA . 81.7 mt -53.36 -39.77 37.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 122.709 0.404 . . . . 0.0 111.162 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.62 -37.81 71.21 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.99 0.424 . . . . 0.0 110.805 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.6 mtp85 -83.9 24.59 0.89 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.241 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.8 mmt85 68.16 16.66 9.42 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.237 -0.892 . . . . 0.0 112.645 178.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.458 ' HB2' ' O ' ' A' ' 20' ' ' CYS . 19.2 m-85 -86.24 172.64 10.34 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 178.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -70.29 -36.4 74.33 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.83 -112.71 1.62 Allowed Glycine 0 N--CA 1.438 -1.229 0 CA-C-N 115.373 -0.831 . . . . 0.0 112.57 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -166.56 151.4 19.55 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.345 -179.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -137.15 144.13 42.8 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.562 ' SG ' ' HB3' ' A' ' 13' ' ' HIS . 9.4 m -77.06 124.52 27.91 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.419 ' C ' HD21 ' A' ' 31' ' ' ASN . 0.1 OUTLIER -78.77 -177.24 5.34 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.288 179.767 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.6 m -53.41 -30.96 42.88 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -179.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -85.53 18.58 2.71 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 120.872 0.368 . . . . 0.0 111.209 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.436 ' HB2' ' HA ' ' A' ' 6' ' ' ALA . . . 53.82 45.63 27.44 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 122.951 0.5 . . . . 0.0 112.25 178.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.442 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 95.5 t -127.97 137.32 57.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.621 ' HB2' ' O ' ' A' ' 12' ' ' ASN . 40.9 t -66.1 125.64 26.13 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 123.307 0.379 . . . . 0.0 111.199 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 27.3 t -112.44 71.92 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 108.272 -1.011 . . . . 0.0 108.272 178.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.592 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 2.0 t -68.1 127.0 31.3 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.375 -178.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.629 ' O ' ' HB3' ' A' ' 20' ' ' CYS . 8.5 mtm180 -87.29 111.54 21.15 Favored 'General case' 0 CA--C 1.508 -0.672 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 178.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.2 t30 . . . . . 0 C--N 1.304 -1.393 0 CA-C-O 118.977 -0.535 . . . . 0.0 110.224 -178.625 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.456 -0.173 0 CA-C-O 120.886 0.374 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.6 m 58.2 42.55 21.85 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.214 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -74.8 144.94 43.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.012 0.434 . . . . 0.0 111.137 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.809 ' HB3' ' HE1' ' A' ' 9' ' ' PHE . 6.5 tt -117.34 -45.01 2.74 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.055 -179.099 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -148.07 18.67 1.11 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.377 -179.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 24.2 m 67.21 -39.83 0.38 Allowed 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 114.398 1.259 . . . . 0.0 114.398 177.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 59.7 mt -54.85 -66.82 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 111.365 0.135 . . . . 0.0 111.365 -178.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.809 ' HE1' ' HB3' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -83.95 -22.11 31.58 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.191 178.697 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 24.9 t30 57.0 17.66 3.5 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.637 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.693 ' H ' ' HD1' ' A' ' 9' ' ' PHE . 85.6 t 60.01 116.28 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.468 0 CA-C-N 115.397 -0.82 . . . . 0.0 112.152 -179.297 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.467 ' N ' HD21 ' A' ' 12' ' ' ASN . 0.0 OUTLIER -74.04 39.99 0.12 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.405 178.692 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.8 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 36.9 p-80 -53.85 -30.06 43.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.496 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.59 -44.08 44.94 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.738 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.435 ' HB2' ' HB2' ' A' ' 12' ' ' ASN . 98.9 mt -69.41 -45.01 70.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.506 -179.27 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.462 ' SG ' ' HA ' ' A' ' 13' ' ' HIS . 30.2 p -63.56 -43.02 98.27 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.929 -179.165 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.586 ' HA ' ' SG ' ' A' ' 38' ' ' CYS . . . -65.41 -39.03 91.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.451 179.308 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.4 -34.2 66.51 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.856 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 30.4 t-80 -57.01 -46.76 82.09 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.87 178.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.667 ' SG ' ' HB2' ' A' ' 40' ' ' ASN . 57.5 m -71.1 -44.66 65.19 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.629 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.636 ' HA ' ' O ' ' A' ' 25' ' ' TYR . 75.4 mt -52.25 -38.54 25.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 179.237 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.18 -35.02 74.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.133 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.515 ' HD2' ' N ' ' A' ' 23' ' ' ARG . 5.7 mpt_? -90.6 27.03 1.83 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.065 0.459 . . . . 0.0 110.45 179.202 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 66.55 31.0 8.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.276 -0.875 . . . . 0.0 112.642 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.636 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 45.1 m-85 -103.04 163.81 11.99 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 177.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.33 -39.57 65.13 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.085 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.414 ' HA2' ' HB2' ' A' ' 20' ' ' CYS . . . 140.13 -118.51 1.46 Allowed Glycine 0 N--CA 1.44 -1.078 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.772 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.653 ' HA3' ' O ' ' A' ' 37' ' ' VAL . . . -144.83 -138.82 3.36 Favored Glycine 0 N--CA 1.443 -0.88 0 N-CA-C 111.46 -0.656 . . . . 0.0 111.46 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -175.48 134.8 0.31 Allowed 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.0 m -79.99 118.0 21.33 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 -81.15 -166.02 1.05 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.358 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.2 t -60.42 -40.02 89.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.725 0.298 . . . . 0.0 111.236 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -82.72 5.89 19.82 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 60.23 35.29 20.94 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.177 0.513 . . . . 0.0 111.174 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.479 HG11 ' N ' ' A' ' 36' ' ' CYS . 89.9 t -78.56 145.16 10.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.038 179.319 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.8 ' SG ' ' HA ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -74.87 60.28 0.95 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.255 -179.083 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.653 ' O ' ' HA3' ' A' ' 28' ' ' GLY . 24.8 t -66.57 141.54 17.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 179.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.586 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 2.7 t -151.62 149.75 29.51 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 -178.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -76.22 -77.36 0.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.608 0.242 . . . . 0.0 111.096 -178.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.667 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . 6.3 t30 . . . . . 0 C--O 1.25 1.082 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.198 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.401 ' C ' ' H ' ' A' ' 4' ' ' ASP . 0.1 OUTLIER . . . . . 0 N--CA 1.449 -0.514 0 CA-C-O 120.724 0.297 . . . . 0.0 110.244 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.5 t -79.33 46.31 0.72 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.439 0.638 . . . . 0.0 110.998 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.678 ' HA ' ' O ' ' A' ' 34' ' ' ALA . 33.5 t70 172.36 142.01 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.506 -1.225 . . . . 0.0 107.727 179.294 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.36 111.32 0.51 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.494 0.664 . . . . 0.0 109.895 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.607 ' HA ' ' HA ' ' A' ' 10' ' ' ASN . . . -76.94 45.0 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.994 -1.003 . . . . 0.0 113.668 -176.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.2 p -85.34 105.32 15.91 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.985 -0.286 . . . . 0.0 110.282 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 79.5 mt 68.92 -68.91 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 C-N-CA 123.281 0.632 . . . . 0.0 111.632 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.515 ' HB2' ' HB3' ' A' ' 12' ' ' ASN . 0.5 OUTLIER -87.84 53.74 2.87 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.357 0.598 . . . . 0.0 110.797 179.483 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.607 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 17.5 p-10 -51.75 -36.25 46.5 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 -179.111 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.442 ' O ' HG13 ' A' ' 11' ' ' VAL . 21.9 t -73.4 -18.36 17.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -178.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.515 ' HB3' ' HB2' ' A' ' 9' ' ' PHE . 0.1 OUTLIER -49.81 -25.02 2.73 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 114.506 1.299 . . . . 0.0 114.506 -178.192 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.538 ' HB3' ' HB3' ' A' ' 4' ' ' ASP . 56.9 p-80 -56.29 -37.81 70.38 Favored 'General case' 0 C--N 1.315 -0.92 0 C-N-CA 120.562 -0.455 . . . . 0.0 111.351 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.57 -45.3 72.46 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.012 0.434 . . . . 0.0 110.397 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.5 mp -63.37 -41.2 98.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.645 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 23.9 t -55.34 -55.81 27.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.819 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.427 ' O ' HG13 ' A' ' 21' ' ' ILE . . . -67.72 -37.19 81.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.768 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.15 -46.07 65.29 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.163 0.289 . . . . 0.0 111.45 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -57.91 -41.64 83.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.777 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.912 ' HB2' ' HA2' ' A' ' 27' ' ' GLY . 1.8 m -72.98 -52.31 14.98 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.946 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.717 ' HA ' ' O ' ' A' ' 25' ' ' TYR . 81.5 mt -53.59 -42.21 49.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.484 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.96 -40.09 92.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.028 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -83.8 31.58 0.48 Allowed 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 65.65 49.42 1.77 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 122.678 0.391 . . . . 0.0 111.951 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.717 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 75.5 m-85 -140.03 165.76 26.49 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.7 0.762 . . . . 0.0 111.56 179.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -71.64 -39.7 70.22 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 114.383 -1.28 . . . . 0.0 109.189 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.912 ' HA2' ' HB2' ' A' ' 20' ' ' CYS . . . 110.4 -154.16 16.72 Favored Glycine 0 N--CA 1.439 -1.127 0 CA-C-N 114.755 -1.112 . . . . 0.0 112.334 179.196 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.494 ' CA ' ' HA ' ' A' ' 38' ' ' CYS . . . -106.22 123.65 7.51 Favored Glycine 0 N--CA 1.44 -1.069 0 C-N-CA 120.234 -0.984 . . . . 0.0 113.44 -179.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 20.8 p90 -97.32 134.92 39.97 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.443 ' HB2' ' HA ' ' A' ' 34' ' ' ALA . 1.7 p -77.13 118.33 19.55 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 120.841 0.353 . . . . 0.0 110.797 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 35.4 p-10 -79.18 -159.3 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.833 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.7 t -61.26 -39.92 92.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.647 0.26 . . . . 0.0 110.683 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -84.97 13.73 5.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.684 -0.234 . . . . 0.0 111.452 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.678 ' O ' ' HA ' ' A' ' 4' ' ' ASP . . . 55.59 39.51 30.97 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.234 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.0 t -93.4 128.85 44.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.5 t -73.48 80.51 1.44 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.848 0.356 . . . . 0.0 110.783 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.461 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 12.7 t -73.99 83.51 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 179.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.494 ' HA ' ' CA ' ' A' ' 28' ' ' GLY . 6.4 t -65.63 129.48 39.9 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 -177.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.43 ' HD2' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -82.72 134.23 35.14 Favored 'General case' 0 CA--C 1.508 -0.657 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 176.732 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 . . . . . 0 C--N 1.302 -1.466 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.634 -179.111 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.451 -0.39 0 CA-C-O 120.86 0.362 . . . . 0.0 110.1 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.461 ' HB2' ' HB2' ' A' ' 6' ' ' ALA . 94.2 m -81.85 59.17 4.15 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -178.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 51.85 -114.26 0.8 Allowed 'General case' 0 C--O 1.233 0.223 0 C-N-CA 122.959 0.504 . . . . 0.0 112.131 179.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.458 HD21 ' HA ' ' A' ' 5' ' ' LEU . 75.0 mt -80.91 35.14 0.36 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.421 -178.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.594 ' HA ' ' CE1' ' A' ' 9' ' ' PHE . . . -81.5 57.53 3.33 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.972 0.415 . . . . 0.0 110.416 179.148 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.3 p -78.0 -52.93 8.03 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.506 -179.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 58.5 mt -77.26 -46.04 28.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.988 0.423 . . . . 0.0 111.148 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.594 ' CE1' ' HA ' ' A' ' 6' ' ' ALA . 0.1 OUTLIER -102.92 47.44 0.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.441 -179.761 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -55.88 -33.04 64.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.174 0.512 . . . . 0.0 111.906 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.437 ' C ' ' H ' ' A' ' 13' ' ' HIS . 21.0 m -57.31 -17.34 6.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 -179.299 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.6 ' HB2' ' HB2' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -72.84 33.35 0.07 Allowed 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -179.472 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.437 ' H ' ' C ' ' A' ' 11' ' ' VAL . 5.4 p-80 -143.35 -36.53 0.37 Allowed 'General case' 0 C--N 1.32 -0.711 0 O-C-N 122.092 -0.38 . . . . 0.0 110.758 179.271 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -105.81 -59.77 1.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.595 179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -65.93 -38.92 89.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.179 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.585 ' HB2' ' HA ' ' A' ' 12' ' ' ASN . 49.4 t -57.41 -55.19 37.95 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 179.101 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.769 ' HB1' ' H ' ' A' ' 28' ' ' GLY . . . -61.09 -43.49 98.81 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.555 178.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.58 -47.98 49.01 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -178.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -60.42 -40.64 91.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.4 0.619 . . . . 0.0 110.319 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.794 ' SG ' ' HB2' ' A' ' 40' ' ' ASN . 58.7 m -69.15 -42.86 75.39 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.985 -179.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.612 HG13 ' O ' ' A' ' 17' ' ' ALA . 61.2 mt -56.19 -39.69 60.77 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 178.032 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.423 ' C ' ' H ' ' A' ' 24' ' ' ARG . . . -57.82 -37.22 73.42 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.403 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -79.96 27.01 0.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.06 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.423 ' H ' ' C ' ' A' ' 22' ' ' ALA . 59.1 mtp85 63.92 39.45 8.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.207 0.527 . . . . 0.0 111.215 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.512 ' HB2' ' O ' ' A' ' 20' ' ' CYS . 45.6 m-85 -120.65 177.02 5.23 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.449 178.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.517 ' O ' HG12 ' A' ' 21' ' ' ILE . 23.6 mmt85 -80.34 -39.22 29.04 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.767 0.318 . . . . 0.0 110.262 -179.556 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 142.16 -136.53 7.32 Favored Glycine 0 N--CA 1.44 -1.041 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.311 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.769 ' H ' ' HB1' ' A' ' 17' ' ' ALA . . . -145.66 141.55 9.86 Favored Glycine 0 N--CA 1.439 -1.139 0 C-N-CA 121.06 -0.591 . . . . 0.0 111.976 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -124.39 137.37 54.47 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.574 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 90.9 m -79.51 130.36 35.32 Favored 'General case' 0 C--N 1.316 -0.885 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.486 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.414 ' HB3' HG22 ' A' ' 37' ' ' VAL . 31.0 p-10 -76.66 -162.48 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.686 -179.171 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.0 t -62.74 -39.62 94.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.607 0.241 . . . . 0.0 110.968 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -80.04 12.89 2.51 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 60.49 34.88 20.37 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 123.037 0.535 . . . . 0.0 112.158 179.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.574 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 53.5 t -101.31 132.63 46.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 178.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.6 ' HB2' ' HB2' ' A' ' 12' ' ' ASN . 42.4 t -67.73 100.38 0.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.024 0.44 . . . . 0.0 111.539 -178.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.414 HG22 ' HB3' ' A' ' 31' ' ' ASN . 25.6 t -85.84 76.95 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 177.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.422 ' HA ' ' HA2' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -76.9 139.71 40.3 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.616 -177.517 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.582 ' HD3' ' N ' ' A' ' 39' ' ' ARG . 0.3 OUTLIER -88.79 29.16 1.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.992 -179.645 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.794 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . 29.1 t30 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.431 -0.795 . . . . 0.0 111.217 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 28.2 m . . . . . 0 N--CA 1.466 0.373 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.752 ' HB2' ' HB3' ' A' ' 13' ' ' HIS . 36.4 m 60.15 56.34 3.35 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.055 0.455 . . . . 0.0 110.41 -179.52 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.565 ' HA ' ' ND2' ' A' ' 10' ' ' ASN . 3.4 t70 -73.9 46.0 0.22 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.329 -178.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.551 HD13 HG21 ' A' ' 35' ' ' VAL . 60.2 tp -81.69 -94.05 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.143 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.444 ' HB2' ' HE1' ' A' ' 9' ' ' PHE . . . -78.44 79.14 4.89 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 178.054 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.4 m -41.65 -25.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 115.392 1.627 . . . . 0.0 115.392 -176.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 16.6 pt -51.98 -31.62 14.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-O 121.167 0.508 . . . . 0.0 110.944 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.444 ' HE1' ' HB2' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -152.18 6.29 0.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.521 179.01 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.565 ' ND2' ' HA ' ' A' ' 4' ' ' ASP . 4.1 m120 52.18 43.55 30.5 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.551 -179.016 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.636 ' C ' ' H ' ' A' ' 13' ' ' HIS . 4.2 p 50.11 20.77 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.605 1.162 . . . . 0.0 111.071 -178.264 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 68.4 -25.36 0.13 Allowed 'General case' 0 CA--C 1.526 0.029 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.506 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.752 ' HB3' ' HB2' ' A' ' 3' ' ' CYS . 56.8 p-80 42.03 39.15 1.24 Allowed 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 122.421 1.105 . . . . 0.0 110.503 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -157.58 -42.3 0.07 Allowed 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 113.203 -1.817 . . . . 0.0 107.873 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.2 tp -64.75 -41.12 96.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.217 -0.901 . . . . 0.0 108.866 178.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 9.2 t -57.78 -54.99 40.63 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.717 -1.129 . . . . 0.0 110.355 179.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.33 -34.76 78.01 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.28 -46.11 54.9 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -57.1 -49.17 76.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.49 0.662 . . . . 0.0 109.986 179.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 1.028 ' HB2' ' HA2' ' A' ' 27' ' ' GLY . 0.2 OUTLIER -64.88 -47.56 77.39 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.055 -179.37 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 33.7 mm -57.35 -36.13 51.59 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.336 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.36 -35.62 70.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.284 0.564 . . . . 0.0 110.666 179.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -109.7 40.43 1.89 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.666 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.3 mmt-85 74.63 -121.32 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.487 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.427 ' HB3' ' H ' ' A' ' 26' ' ' ARG . 89.2 m-85 54.05 -148.0 0.48 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.338 0.59 . . . . 0.0 111.55 -179.39 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.659 ' HB3' ' HE ' ' A' ' 39' ' ' ARG . 11.5 tpp85 -142.01 26.17 1.88 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.096 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 1.028 ' HA2' ' HB2' ' A' ' 20' ' ' CYS . . . 67.64 -138.5 33.78 Favored Glycine 0 N--CA 1.443 -0.883 0 CA-C-N 114.536 -1.211 . . . . 0.0 113.568 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.79 145.6 17.6 Favored Glycine 0 N--CA 1.434 -1.467 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 37.5 p90 -120.02 142.77 48.52 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 -179.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.402 ' HB3' ' HA ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -72.35 118.71 15.57 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.894 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 53.6 p30 -75.25 -159.85 0.11 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.973 0.416 . . . . 0.0 111.613 -178.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.9 m -64.04 -34.82 78.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.908 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -88.35 15.97 7.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.116 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 63.31 15.45 8.67 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.962 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.551 HG21 HD13 ' A' ' 5' ' ' LEU . 47.3 t -84.69 128.42 38.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 179.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.9 t -75.15 108.76 8.11 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.014 0.435 . . . . 0.0 110.02 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 31.4 t -93.39 100.09 10.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.078 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.427 ' SG ' ' HB3' ' A' ' 40' ' ' ASN . 25.6 t -74.54 131.95 41.42 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.116 0.484 . . . . 0.0 109.781 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.659 ' HE ' ' HB3' ' A' ' 26' ' ' ARG . 0.3 OUTLIER -84.87 15.23 4.09 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -178.397 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.427 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--N 1.305 -1.333 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.362 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.7 m . . . . . 0 CA--C 1.537 0.473 0 CA-C-O 121.769 0.795 . . . . 0.0 112.177 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.749 ' HA ' ' HB1' ' A' ' 34' ' ' ALA . 20.5 m -50.75 149.9 3.14 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 114.828 -1.078 . . . . 0.0 112.61 -179.418 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 57.31 41.17 27.01 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 114.463 -1.244 . . . . 0.0 111.923 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 23.8 tp 52.49 58.81 5.01 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.25 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.528 ' CB ' ' HA ' ' A' ' 10' ' ' ASN . . . -72.86 68.18 0.87 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.939 -178.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.9 p -73.48 -109.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.35 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.0 pt -67.68 -44.81 85.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.329 0.585 . . . . 0.0 110.09 179.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -90.1 53.04 2.4 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.774 178.409 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.528 ' HA ' ' CB ' ' A' ' 6' ' ' ALA . 20.9 t-20 -47.54 -34.09 7.22 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.099 -0.955 . . . . 0.0 112.191 -179.018 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.6 p -58.62 -14.98 4.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 113.178 0.806 . . . . 0.0 113.178 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.468 HD22 ' HA ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -70.06 50.12 0.11 Allowed 'General case' 0 N--CA 1.477 0.888 0 CA-C-O 121.618 0.723 . . . . 0.0 112.942 -179.39 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 27.3 p-80 -155.47 -33.73 0.09 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.088 178.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.473 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -72.34 -33.16 67.11 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.754 179.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 mp -58.78 -51.82 68.36 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.121 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 11.8 p -63.98 -51.47 64.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.67 0.271 . . . . 0.0 110.761 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.89 -47.43 82.82 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 14' ' ' ALA . . . -54.51 -45.5 73.32 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.689 0.28 . . . . 0.0 111.337 -179.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -57.92 -49.27 77.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.429 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.627 ' HB2' ' HA2' ' A' ' 27' ' ' GLY . 90.6 m -69.26 -48.07 62.82 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.991 -179.073 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.594 HG13 ' HA3' ' A' ' 27' ' ' GLY . 79.4 mt -52.52 -44.01 43.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 C-N-CA 122.557 0.343 . . . . 0.0 111.568 179.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.9 -43.14 72.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.053 -0.522 . . . . 0.0 112.053 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -81.88 47.42 1.1 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.468 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.5 ptt85 49.92 49.36 20.39 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.404 1.082 . . . . 0.0 113.041 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.471 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 60.8 m-85 -130.38 173.81 10.47 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.901 0.381 . . . . 0.0 110.336 178.251 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 55.9 mtp85 -81.81 -6.24 58.9 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.563 0.697 . . . . 0.0 109.22 178.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.732 ' O ' ' HA ' ' A' ' 38' ' ' CYS . . . 83.72 -57.69 5.04 Favored Glycine 0 C--O 1.216 -0.985 0 CA-C-N 114.753 -1.112 . . . . 0.0 112.734 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 166.7 139.73 2.73 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 119.604 -1.284 . . . . 0.0 112.878 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -103.19 137.73 40.94 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 178.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 33.2 m -93.35 113.17 25.28 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.9 p-10 -75.89 -155.93 0.06 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.267 -178.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.6 t -61.55 -47.84 83.7 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.193 0.521 . . . . 0.0 110.185 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.626 ' HB3' HG22 ' A' ' 35' ' ' VAL . 26.5 tptp -73.94 -2.5 24.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.134 179.273 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.749 ' HB1' ' HA ' ' A' ' 3' ' ' CYS . . . 62.8 30.16 16.69 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.039 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.626 HG22 ' HB3' ' A' ' 33' ' ' LYS . 73.5 t -70.63 137.98 22.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.042 179.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.6 t -74.9 79.24 2.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.171 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.0 t -75.5 68.89 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-O 121.605 0.717 . . . . 0.0 109.321 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.732 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 0.1 OUTLIER -52.08 130.99 31.46 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.336 -1.302 . . . . 0.0 113.191 -177.582 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.464 ' O ' ' HB3' ' A' ' 20' ' ' CYS . 7.8 mmm180 -89.9 118.95 29.86 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 177.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.437 ' HA ' ' CE2' ' A' ' 25' ' ' TYR . 12.3 p-10 . . . . . 0 C--N 1.307 -1.243 0 CA-C-O 118.387 -0.816 . . . . 0.0 110.509 -178.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.1 p . . . . . 0 N--CA 1.449 -0.524 0 CA-C-O 120.413 0.149 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.706 ' HB2' ' HB3' ' A' ' 13' ' ' HIS . 93.4 m -72.22 53.92 0.29 Allowed 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 121.047 0.451 . . . . 0.0 111.231 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.657 ' HA ' ' HB2' ' A' ' 10' ' ' ASN . 11.3 t70 -86.08 133.7 33.87 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.025 0.44 . . . . 0.0 111.436 -179.518 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -167.62 -51.94 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 179.149 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.41 77.09 9.24 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.266 -1.334 . . . . 0.0 109.36 178.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.477 ' C ' HD11 ' A' ' 8' ' ' ILE . 45.2 m -27.27 129.02 0.05 Allowed 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 114.263 1.208 . . . . 0.0 114.263 -178.026 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.477 HD11 ' C ' ' A' ' 7' ' ' SER . 4.1 mp 76.31 -65.7 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-N 114.294 -1.321 . . . . 0.0 111.306 -179.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -92.1 41.29 1.07 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.573 0.701 . . . . 0.0 109.7 178.191 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.657 ' HB2' ' HA ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -62.97 156.0 25.8 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.541 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.586 HG11 ' HB2' ' A' ' 36' ' ' CYS . 44.0 t -49.64 113.52 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 O-C-N 123.769 0.668 . . . . 0.0 110.262 -179.237 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.609 HD21 ' N ' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -53.42 -13.96 0.69 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.234 -1.348 . . . . 0.0 112.329 -179.469 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.706 ' HB3' ' HB2' ' A' ' 3' ' ' CYS . 52.4 p-80 37.24 37.87 0.1 Allowed 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.478 1.111 . . . . 0.0 113.843 176.258 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -156.0 -41.58 0.08 Allowed 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.491 ' HB3' ' OD1' ' A' ' 12' ' ' ASN . 8.8 tt -70.65 -40.44 73.03 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 178.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.2 p -59.39 -50.82 72.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.028 178.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.764 ' HB3' ' H ' ' A' ' 28' ' ' GLY . . . -63.49 -35.01 79.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.267 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.17 -44.16 61.45 Favored 'General case' 0 N--CA 1.464 0.27 0 O-C-N 123.259 0.35 . . . . 0.0 111.701 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.2 t-80 -57.47 -44.44 84.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.447 0.642 . . . . 0.0 110.134 179.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.742 ' HB2' ' HA2' ' A' ' 27' ' ' GLY . 72.5 m -70.42 -49.83 44.82 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.79 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.565 ' HA ' ' O ' ' A' ' 25' ' ' TYR . 88.6 mt -52.24 -41.21 33.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 C-N-CA 122.596 0.358 . . . . 0.0 110.914 179.119 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.72 -41.69 82.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.191 0.519 . . . . 0.0 110.643 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 71.4 mtp180 -86.43 22.14 1.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.702 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 62.1 mmt-85 68.5 47.02 0.95 Allowed 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.041 0.536 . . . . 0.0 112.406 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.565 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 85.9 m-85 -124.54 159.65 30.14 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.97 178.496 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.44 ' HB3' ' HD2' ' A' ' 39' ' ' ARG . 19.0 tpp180 -67.98 -31.8 71.76 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.742 ' HA2' ' HB2' ' A' ' 20' ' ' CYS . . . 104.23 -143.3 15.67 Favored Glycine 0 N--CA 1.439 -1.102 0 CA-C-N 115.112 -0.949 . . . . 0.0 113.159 178.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.764 ' H ' ' HB3' ' A' ' 17' ' ' ALA . . . -106.63 161.58 13.96 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.725 -0.75 . . . . 0.0 114.678 -178.129 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 42.4 p90 -141.51 139.44 33.27 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.267 -0.967 . . . . 0.0 108.414 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.8 m -71.57 121.06 18.07 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.61 0.243 . . . . 0.0 110.856 -178.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.473 HD22 ' HB ' ' A' ' 35' ' ' VAL . 37.4 p30 -88.05 -155.17 0.3 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.126 179.115 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.2 t -66.49 -39.15 88.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.839 0.352 . . . . 0.0 110.777 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.418 ' HD2' ' N ' ' A' ' 33' ' ' LYS . 10.5 mptt -85.45 11.49 10.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.606 0.241 . . . . 0.0 110.464 179.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.65 25.84 15.65 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.033 -179.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.473 ' HB ' HD22 ' A' ' 31' ' ' ASN . 97.5 t -84.08 135.35 24.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.966 179.238 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.586 ' HB2' HG11 ' A' ' 11' ' ' VAL . 52.8 t -77.05 83.13 3.56 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.698 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.603 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 41.4 t -71.33 100.39 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 179.371 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.451 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 1.3 t -86.74 125.9 34.21 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.901 -177.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 27' ' ' GLY . 61.4 mtt-85 -73.19 121.48 20.36 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 178.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 . . . . . 0 C--N 1.307 -1.241 0 CA-C-O 117.754 -1.117 . . . . 0.0 109.464 -178.929 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.544 ' HB ' ' HB2' ' A' ' 10' ' ' ASN . 18.8 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.522 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . 19.8 t -173.36 42.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 29.7 t70 72.09 -47.48 0.66 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.921 0.888 . . . . 0.0 110.882 -179.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.41 ' H ' ' C ' ' A' ' 3' ' ' CYS . 50.8 tp -167.72 88.29 0.27 Allowed 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.945 -1.025 . . . . 0.0 108.917 178.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.522 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . . . -162.97 88.39 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.942 -178.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.3 m -89.47 -51.75 5.38 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 111.735 0.272 . . . . 0.0 111.735 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.431 HG13 ' CD2' ' A' ' 9' ' ' PHE . 30.8 pt -76.59 5.28 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 112.697 0.628 . . . . 0.0 112.697 -179.056 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.431 ' CD2' HG13 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -163.66 56.34 0.17 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.103 0.478 . . . . 0.0 110.926 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.544 ' HB2' ' HB ' ' A' ' 2' ' ' THR . 14.2 p-10 -81.35 6.11 15.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.732 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.2 t -59.66 -42.96 90.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-O 121.375 0.607 . . . . 0.0 110.536 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.464 ' O ' ' HB3' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -57.99 131.98 52.06 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.653 178.635 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.584 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 1.9 p-80 108.26 -26.04 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.782 1.633 . . . . 0.0 109.193 -177.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.0 -46.35 9.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.314 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.1 tt -61.96 -50.74 70.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.38 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.559 ' SG ' ' HA ' ' A' ' 13' ' ' HIS . 5.0 p -63.39 -38.79 92.52 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.989 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 13' ' ' HIS . . . -54.27 -35.45 62.56 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.339 -179.635 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.09 -44.25 61.22 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 123.216 0.322 . . . . 0.0 111.512 -179.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 65.8 t-80 -66.06 -41.9 90.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.649 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.703 ' HB2' ' HA2' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -69.85 -43.59 71.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.524 179.831 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.44 HG22 HD12 ' A' ' 21' ' ' ILE . 22.8 mm -58.44 -41.28 81.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 C-N-CA 122.823 0.449 . . . . 0.0 110.21 178.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.79 -33.05 72.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.941 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.5 mmt-85 -84.41 21.04 1.52 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.997 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 64.95 41.99 4.49 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 123.316 0.647 . . . . 0.0 112.328 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -119.8 -166.61 1.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.796 0.332 . . . . 0.0 110.77 178.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 91.7 mtm180 -104.73 28.81 6.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.377 0.608 . . . . 0.0 110.95 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.703 ' HA2' ' HB2' ' A' ' 20' ' ' CYS . . . 69.01 -140.89 35.06 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.37 -0.832 . . . . 0.0 113.856 179.043 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.53 ' H ' ' HB1' ' A' ' 17' ' ' ALA . . . -135.88 138.55 10.01 Favored Glycine 0 N--CA 1.441 -1.008 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.03 -178.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 50.4 p90 -118.81 144.13 46.51 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.546 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 56.9 m -76.92 119.96 21.39 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.728 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.474 ' ND2' HG12 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -75.05 -176.96 3.17 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 178.391 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.9 t -56.84 -29.91 63.29 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.499 0.19 . . . . 0.0 111.235 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.2 mppt? -76.84 16.9 0.47 Allowed 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 50.95 47.17 25.27 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.284 0.633 . . . . 0.0 112.699 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.546 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 4.7 p -139.19 143.23 31.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.946 -0.391 . . . . 0.0 109.946 179.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.8 t -67.03 132.7 48.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.094 -0.503 . . . . 0.0 112.132 -178.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 62.0 t -113.0 84.76 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.532 178.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 13.0 t -65.2 126.58 28.59 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.87 -0.29 50.65 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.497 -178.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.642 ' HB3' ' HA ' ' A' ' 20' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.246 0.886 0 CA-C-O 118.31 -0.852 . . . . 0.0 112.482 -178.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.735 ' HB ' ' HB3' ' A' ' 13' ' ' HIS . 1.9 m . . . . . 0 N--CA 1.471 0.607 0 CA-C-O 121.552 0.691 . . . . 0.0 111.953 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.0 p -76.98 41.49 0.28 Allowed 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.856 -177.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.864 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 73.9 m-20 -128.72 -70.57 0.67 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.287 0.565 . . . . 0.0 109.853 179.071 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.9 tt -170.84 139.47 1.48 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.42 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.861 ' HB3' ' HA ' ' A' ' 10' ' ' ASN . . . -147.19 30.59 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.109 0.48 . . . . 0.0 110.64 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.6 t 52.01 -137.61 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.333 179.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 36.7 pt -65.85 -31.46 53.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -179.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -91.57 33.79 1.0 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.788 0.328 . . . . 0.0 111.45 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.861 ' HA ' ' HB3' ' A' ' 6' ' ' ALA . 12.2 t-20 -56.63 -32.8 65.67 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.222 0.534 . . . . 0.0 110.611 179.115 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.2 m -55.62 -11.51 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.454 HD22 HG21 ' A' ' 2' ' ' THR . 0.0 OUTLIER -76.81 42.07 0.29 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -179.274 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.735 ' HB3' ' HB ' ' A' ' 2' ' ' THR . 4.9 p-80 -150.41 -40.59 0.13 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.716 177.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.36 -50.79 58.31 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 178.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.419 ' N ' HD23 ' A' ' 15' ' ' LEU . 3.5 mm? -72.31 -38.61 68.66 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.861 178.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.462 ' HB3' ' HA ' ' A' ' 13' ' ' HIS . 52.4 t -56.67 -58.45 8.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.221 -0.899 . . . . 0.0 111.06 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.406 ' O ' HG13 ' A' ' 21' ' ' ILE . . . -61.96 -41.2 97.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.497 0.189 . . . . 0.0 111.394 179.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.89 -42.27 79.56 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.985 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -38.73 92.34 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.107 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.738 ' HB2' ' HA2' ' A' ' 27' ' ' GLY . 13.9 m -65.35 -52.26 55.01 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 178.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.666 ' HA ' ' O ' ' A' ' 25' ' ' TYR . 73.2 mt -54.76 -35.89 34.82 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.064 178.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.3 -37.35 74.87 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 121.134 0.493 . . . . 0.0 110.827 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -85.49 25.62 1.02 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.473 178.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 65.21 23.24 12.24 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.43 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.666 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 23.0 m-85 -97.24 165.06 12.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.988 0.423 . . . . 0.0 110.618 178.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 57.3 mtp85 -69.78 -44.37 70.23 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.841 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.738 ' HA2' ' HB2' ' A' ' 20' ' ' CYS . . . 131.31 -123.69 3.85 Favored Glycine 0 N--CA 1.436 -1.349 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.628 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -157.14 130.35 2.62 Favored Glycine 0 N--CA 1.433 -1.511 0 N-CA-C 111.086 -0.805 . . . . 0.0 111.086 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -92.83 145.79 24.13 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.45 121.82 22.06 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.283 -179.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.569 ' HB3' HG22 ' A' ' 37' ' ' VAL . 18.4 p-10 -85.79 -178.77 6.69 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 178.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.1 m -57.08 -33.66 67.5 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 111.979 0.362 . . . . 0.0 111.979 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -86.08 8.3 21.31 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.864 ' HB2' ' HB2' ' A' ' 4' ' ' ASP . . . 56.29 46.36 21.28 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 179.213 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.467 HG12 ' N ' ' A' ' 36' ' ' CYS . 90.9 t -110.0 148.69 13.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 179.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.467 ' N ' HG12 ' A' ' 35' ' ' VAL . 35.2 t -73.71 83.69 1.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.046 0.45 . . . . 0.0 110.38 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.569 HG22 ' HB3' ' A' ' 31' ' ' ASN . 8.6 t -78.66 57.51 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.479 0.657 . . . . 0.0 110.023 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.46 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 11.2 t -61.34 139.22 58.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.735 -179.608 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.433 ' NE ' ' HA ' ' A' ' 39' ' ' ARG . 2.7 mmp_? -63.73 -56.13 17.94 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 . . . . . 0 C--O 1.248 1.016 0 O-C-N 124.419 1.074 . . . . 0.0 113.355 176.774 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.0 m . . . . . 0 CA--C 1.536 0.408 0 CA-C-O 121.731 0.776 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.527 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 67.3 m -56.16 122.71 12.36 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.911 -1.041 . . . . 0.0 112.456 -178.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.2 t0 59.66 104.91 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.379 0.672 . . . . 0.0 111.659 179.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 pp -89.21 -173.74 4.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.172 0.51 . . . . 0.0 111.739 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.434 ' O ' ' HB2' ' A' ' 7' ' ' SER . . . -166.02 -82.28 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.903 179.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.434 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 22.7 t 170.65 -104.07 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.95 -1.023 . . . . 0.0 108.633 178.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 23.2 pt -67.78 -42.26 85.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.975 0.417 . . . . 0.0 110.626 179.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -95.83 50.47 1.2 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.484 0.659 . . . . 0.0 110.334 178.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.419 ' C ' ' H ' ' A' ' 12' ' ' ASN . 17.4 t-20 -68.74 -14.16 62.84 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.995 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.7 m -65.55 10.92 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -179.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.419 ' H ' ' C ' ' A' ' 10' ' ' ASN . 16.1 p-10 -77.0 50.61 0.74 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.503 0.668 . . . . 0.0 111.34 179.241 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 35.4 p-80 -178.48 -30.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.631 178.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.36 -34.35 55.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.246 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.428 HD22 ' C ' ' A' ' 15' ' ' LEU . 7.4 tt -64.57 -52.47 57.44 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.192 -179.42 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.4 p -56.69 -47.94 78.77 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.644 0.259 . . . . 0.0 110.644 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.461 ' O ' HG13 ' A' ' 21' ' ' ILE . . . -59.48 -42.75 92.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.126 179.291 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.99 -43.0 86.35 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.925 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 31.6 t-80 -58.32 -44.84 88.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.654 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.545 ' HB2' ' HA2' ' A' ' 27' ' ' GLY . 68.6 m -65.13 -48.2 74.45 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.448 179.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.668 ' HA ' ' O ' ' A' ' 25' ' ' TYR . 84.1 mt -51.75 -39.77 25.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-O 120.943 0.401 . . . . 0.0 110.807 178.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.97 -37.23 79.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.04 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.0 mmt-85 -86.64 23.5 1.65 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.337 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.7 mtm-85 66.85 27.09 9.17 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.095 0.558 . . . . 0.0 111.33 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.668 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 8.7 m-85 -103.12 159.28 15.66 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.694 178.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.3 tpt180 -68.12 -40.25 82.55 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.987 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.545 ' HA2' ' HB2' ' A' ' 20' ' ' CYS . . . 140.4 -132.24 5.39 Favored Glycine 0 N--CA 1.438 -1.168 0 C-N-CA 120.499 -0.858 . . . . 0.0 111.993 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -138.19 159.69 25.23 Favored Glycine 0 N--CA 1.439 -1.13 0 N-CA-C 111.714 -0.555 . . . . 0.0 111.714 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 35.2 p90 -136.92 143.9 43.17 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.527 ' HB3' ' HB3' ' A' ' 3' ' ' CYS . 0.8 OUTLIER -78.81 122.41 26.02 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.024 0.44 . . . . 0.0 110.692 -179.784 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.701 ' HB3' HG21 ' A' ' 37' ' ' VAL . 23.9 p-10 -80.06 -157.27 0.14 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.134 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.2 t -63.23 -35.71 81.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.898 0.38 . . . . 0.0 110.551 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -88.63 14.16 10.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.528 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.446 ' HA ' ' HB2' ' A' ' 30' ' ' CYS . . . 57.19 26.35 12.08 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.013 -0.539 . . . . 0.0 112.02 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.459 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 70.5 t -86.17 139.95 16.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.273 -0.421 . . . . 0.0 109.875 179.306 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.4 t -70.87 85.35 0.68 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.967 0.413 . . . . 0.0 110.13 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.701 HG21 ' HB3' ' A' ' 31' ' ' ASN . 28.0 t -77.97 77.74 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.177 0.513 . . . . 0.0 109.651 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.61 133.1 43.42 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.482 -179.265 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.64 ' HB2' ' HD2' ' A' ' 25' ' ' TYR . 74.4 mtt-85 -60.55 -56.0 26.61 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 . . . . . 0 C--O 1.246 0.916 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 176.367 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 120.544 0.211 . . . . 0.0 110.712 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.0 m -68.74 -62.71 1.27 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.722 -0.217 . . . . 0.0 110.44 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.7 t -178.75 -140.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.402 ' O ' ' HB3' ' A' ' 5' ' ' LEU . 28.4 t70 -164.68 43.59 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.174 0.511 . . . . 0.0 109.679 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.402 ' HB3' ' O ' ' A' ' 4' ' ' ASP . 25.7 tp 69.28 -53.76 0.59 Allowed 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.173 -0.921 . . . . 0.0 112.9 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.521 ' O ' ' HB2' ' A' ' 7' ' ' SER . . . 65.22 -82.61 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.634 0 O-C-N 123.712 0.632 . . . . 0.0 110.437 -179.007 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.521 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 6.7 t 171.31 -112.37 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.778 0 O-C-N 124.008 0.818 . . . . 0.0 109.061 178.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.424 ' H ' ' HB3' ' A' ' 7' ' ' SER . 12.1 mt -104.32 39.49 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 122.307 1.051 . . . . 0.0 109.119 179.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.462 ' CE1' ' HB2' ' A' ' 6' ' ' ALA . 0.1 OUTLIER -163.73 35.26 0.09 Allowed 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.212 -1.358 . . . . 0.0 109.384 179.78 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -57.31 -24.05 52.5 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.775 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.6 m -63.5 -3.6 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.562 -0.745 . . . . 0.0 112.283 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.621 ' O ' ' HB2' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -69.71 57.83 0.14 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.691 0.758 . . . . 0.0 111.91 179.656 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.589 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 54.8 p-80 -159.52 -37.98 0.06 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.479 178.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.02 -42.85 36.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.736 0.303 . . . . 0.0 111.09 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -64.48 -50.26 68.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.51 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.522 ' SG ' ' HA ' ' A' ' 13' ' ' HIS . 2.4 p -64.34 -41.2 96.89 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.449 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.592 ' HA ' ' SG ' ' A' ' 38' ' ' CYS . . . -58.37 -30.49 66.82 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -179.135 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -48.32 -45.31 34.97 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 -64.98 -44.69 88.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.173 0.511 . . . . 0.0 110.816 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.629 ' HB3' ' O ' ' A' ' 39' ' ' ARG . 60.7 m -68.66 -53.67 21.01 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.761 -178.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.504 HD13 ' HB2' ' A' ' 17' ' ' ALA . 81.7 mt -53.36 -39.77 37.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 122.709 0.404 . . . . 0.0 111.162 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.62 -37.81 71.21 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.99 0.424 . . . . 0.0 110.805 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.6 mtp85 -83.9 24.59 0.89 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.241 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.8 mmt85 68.16 16.66 9.42 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.237 -0.892 . . . . 0.0 112.645 178.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.458 ' HB2' ' O ' ' A' ' 20' ' ' CYS . 19.2 m-85 -86.24 172.64 10.34 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 178.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -70.29 -36.4 74.33 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.83 -112.71 1.62 Allowed Glycine 0 N--CA 1.438 -1.229 0 CA-C-N 115.373 -0.831 . . . . 0.0 112.57 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -166.56 151.4 19.55 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.345 -179.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -137.15 144.13 42.8 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.562 ' SG ' ' HB3' ' A' ' 13' ' ' HIS . 9.4 m -77.06 124.52 27.91 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.419 ' C ' HD21 ' A' ' 31' ' ' ASN . 0.1 OUTLIER -78.77 -177.24 5.34 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.288 179.767 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.6 m -53.41 -30.96 42.88 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -179.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -85.53 18.58 2.71 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 120.872 0.368 . . . . 0.0 111.209 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.436 ' HB2' ' HA ' ' A' ' 6' ' ' ALA . . . 53.82 45.63 27.44 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 122.951 0.5 . . . . 0.0 112.25 178.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.442 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 95.5 t -127.97 137.32 57.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.621 ' HB2' ' O ' ' A' ' 12' ' ' ASN . 40.9 t -66.1 125.64 26.13 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 123.307 0.379 . . . . 0.0 111.199 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 27.3 t -112.44 71.92 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 108.272 -1.011 . . . . 0.0 108.272 178.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.592 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 2.0 t -68.1 127.0 31.3 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.375 -178.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.629 ' O ' ' HB3' ' A' ' 20' ' ' CYS . 8.5 mtm180 -87.29 111.54 21.15 Favored 'General case' 0 CA--C 1.508 -0.672 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 178.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.2 t30 . . . . . 0 C--N 1.304 -1.393 0 CA-C-O 118.977 -0.535 . . . . 0.0 110.224 -178.625 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.994 0 CA-C-O 120.898 0.38 . . . . 0.0 110.523 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.0 m -63.7 -34.77 78.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.153 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.6 m 58.2 42.55 21.85 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.214 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -74.8 144.94 43.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.012 0.434 . . . . 0.0 111.137 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.809 ' HB3' ' HE1' ' A' ' 9' ' ' PHE . 6.5 tt -117.34 -45.01 2.74 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.055 -179.099 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -148.07 18.67 1.11 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.377 -179.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 24.2 m 67.21 -39.83 0.38 Allowed 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 114.398 1.259 . . . . 0.0 114.398 177.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 59.7 mt -54.85 -66.82 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 111.365 0.135 . . . . 0.0 111.365 -178.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.809 ' HE1' ' HB3' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -83.95 -22.11 31.58 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.191 178.697 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 24.9 t30 57.0 17.66 3.5 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.637 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.693 ' H ' ' HD1' ' A' ' 9' ' ' PHE . 85.6 t 60.01 116.28 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.468 0 CA-C-N 115.397 -0.82 . . . . 0.0 112.152 -179.297 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.467 ' N ' HD21 ' A' ' 12' ' ' ASN . 0.0 OUTLIER -74.04 39.99 0.12 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.405 178.692 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.8 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 36.9 p-80 -53.85 -30.06 43.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.496 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.59 -44.08 44.94 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.738 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.435 ' HB2' ' HB2' ' A' ' 12' ' ' ASN . 98.9 mt -69.41 -45.01 70.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.506 -179.27 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.462 ' SG ' ' HA ' ' A' ' 13' ' ' HIS . 30.2 p -63.56 -43.02 98.27 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.929 -179.165 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.586 ' HA ' ' SG ' ' A' ' 38' ' ' CYS . . . -65.41 -39.03 91.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.451 179.308 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.4 -34.2 66.51 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.856 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 30.4 t-80 -57.01 -46.76 82.09 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.87 178.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.667 ' SG ' ' HB2' ' A' ' 40' ' ' ASN . 57.5 m -71.1 -44.66 65.19 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.629 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.636 ' HA ' ' O ' ' A' ' 25' ' ' TYR . 75.4 mt -52.25 -38.54 25.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 179.237 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.18 -35.02 74.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.133 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.515 ' HD2' ' N ' ' A' ' 23' ' ' ARG . 5.7 mpt_? -90.6 27.03 1.83 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.065 0.459 . . . . 0.0 110.45 179.202 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 66.55 31.0 8.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.276 -0.875 . . . . 0.0 112.642 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.636 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 45.1 m-85 -103.04 163.81 11.99 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 177.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.33 -39.57 65.13 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.085 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.414 ' HA2' ' HB2' ' A' ' 20' ' ' CYS . . . 140.13 -118.51 1.46 Allowed Glycine 0 N--CA 1.44 -1.078 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.772 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.653 ' HA3' ' O ' ' A' ' 37' ' ' VAL . . . -144.83 -138.82 3.36 Favored Glycine 0 N--CA 1.443 -0.88 0 N-CA-C 111.46 -0.656 . . . . 0.0 111.46 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -175.48 134.8 0.31 Allowed 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.0 m -79.99 118.0 21.33 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 -81.15 -166.02 1.05 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.358 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.2 t -60.42 -40.02 89.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.725 0.298 . . . . 0.0 111.236 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -82.72 5.89 19.82 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 60.23 35.29 20.94 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.177 0.513 . . . . 0.0 111.174 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.479 HG11 ' N ' ' A' ' 36' ' ' CYS . 89.9 t -78.56 145.16 10.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.038 179.319 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.8 ' SG ' ' HA ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -74.87 60.28 0.95 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.255 -179.083 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.653 ' O ' ' HA3' ' A' ' 28' ' ' GLY . 24.8 t -66.57 141.54 17.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 179.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.586 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 2.7 t -151.62 149.75 29.51 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 -178.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -76.22 -77.36 0.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.608 0.242 . . . . 0.0 111.096 -178.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.667 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . 6.3 t30 . . . . . 0 C--O 1.25 1.082 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.198 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.114 0 CA-C-O 121.039 0.447 . . . . 0.0 110.201 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.401 ' C ' ' H ' ' A' ' 4' ' ' ASP . 0.1 OUTLIER -107.33 123.62 48.6 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.244 178.798 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.5 t -79.33 46.31 0.72 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.439 0.638 . . . . 0.0 110.998 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.678 ' HA ' ' O ' ' A' ' 34' ' ' ALA . 33.5 t70 172.36 142.01 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.506 -1.225 . . . . 0.0 107.727 179.294 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.36 111.32 0.51 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.494 0.664 . . . . 0.0 109.895 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.607 ' HA ' ' HA ' ' A' ' 10' ' ' ASN . . . -76.94 45.0 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.994 -1.003 . . . . 0.0 113.668 -176.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.2 p -85.34 105.32 15.91 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.985 -0.286 . . . . 0.0 110.282 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 79.5 mt 68.92 -68.91 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 C-N-CA 123.281 0.632 . . . . 0.0 111.632 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.515 ' HB2' ' HB3' ' A' ' 12' ' ' ASN . 0.5 OUTLIER -87.84 53.74 2.87 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.357 0.598 . . . . 0.0 110.797 179.483 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.607 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 17.5 p-10 -51.75 -36.25 46.5 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 -179.111 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.442 ' O ' HG13 ' A' ' 11' ' ' VAL . 21.9 t -73.4 -18.36 17.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -178.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.515 ' HB3' ' HB2' ' A' ' 9' ' ' PHE . 0.1 OUTLIER -49.81 -25.02 2.73 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 114.506 1.299 . . . . 0.0 114.506 -178.192 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.538 ' HB3' ' HB3' ' A' ' 4' ' ' ASP . 56.9 p-80 -56.29 -37.81 70.38 Favored 'General case' 0 C--N 1.315 -0.92 0 C-N-CA 120.562 -0.455 . . . . 0.0 111.351 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.57 -45.3 72.46 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.012 0.434 . . . . 0.0 110.397 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.5 mp -63.37 -41.2 98.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.645 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 23.9 t -55.34 -55.81 27.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.819 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.427 ' O ' HG13 ' A' ' 21' ' ' ILE . . . -67.72 -37.19 81.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.768 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.15 -46.07 65.29 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.163 0.289 . . . . 0.0 111.45 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -57.91 -41.64 83.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.777 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.912 ' HB2' ' HA2' ' A' ' 27' ' ' GLY . 1.8 m -72.98 -52.31 14.98 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.946 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.717 ' HA ' ' O ' ' A' ' 25' ' ' TYR . 81.5 mt -53.59 -42.21 49.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.484 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.96 -40.09 92.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.028 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -83.8 31.58 0.48 Allowed 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 65.65 49.42 1.77 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 122.678 0.391 . . . . 0.0 111.951 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.717 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 75.5 m-85 -140.03 165.76 26.49 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.7 0.762 . . . . 0.0 111.56 179.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -71.64 -39.7 70.22 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 114.383 -1.28 . . . . 0.0 109.189 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.912 ' HA2' ' HB2' ' A' ' 20' ' ' CYS . . . 110.4 -154.16 16.72 Favored Glycine 0 N--CA 1.439 -1.127 0 CA-C-N 114.755 -1.112 . . . . 0.0 112.334 179.196 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.494 ' CA ' ' HA ' ' A' ' 38' ' ' CYS . . . -106.22 123.65 7.51 Favored Glycine 0 N--CA 1.44 -1.069 0 C-N-CA 120.234 -0.984 . . . . 0.0 113.44 -179.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 20.8 p90 -97.32 134.92 39.97 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.443 ' HB2' ' HA ' ' A' ' 34' ' ' ALA . 1.7 p -77.13 118.33 19.55 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 120.841 0.353 . . . . 0.0 110.797 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 35.4 p-10 -79.18 -159.3 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.833 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.7 t -61.26 -39.92 92.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.647 0.26 . . . . 0.0 110.683 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -84.97 13.73 5.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.684 -0.234 . . . . 0.0 111.452 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.678 ' O ' ' HA ' ' A' ' 4' ' ' ASP . . . 55.59 39.51 30.97 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.234 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.0 t -93.4 128.85 44.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.5 t -73.48 80.51 1.44 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.848 0.356 . . . . 0.0 110.783 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.461 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 12.7 t -73.99 83.51 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 179.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.494 ' HA ' ' CA ' ' A' ' 28' ' ' GLY . 6.4 t -65.63 129.48 39.9 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 -177.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.43 ' HD2' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -82.72 134.23 35.14 Favored 'General case' 0 CA--C 1.508 -0.657 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 176.732 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 . . . . . 0 C--N 1.302 -1.466 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.634 -179.111 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.897 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.34 128.25 35.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.86 0.362 . . . . 0.0 110.1 179.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.461 ' HB2' ' HB2' ' A' ' 6' ' ' ALA . 94.2 m -81.85 59.17 4.15 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -178.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 51.85 -114.26 0.8 Allowed 'General case' 0 C--O 1.233 0.223 0 C-N-CA 122.959 0.504 . . . . 0.0 112.131 179.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.458 HD21 ' HA ' ' A' ' 5' ' ' LEU . 75.0 mt -80.91 35.14 0.36 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.421 -178.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.594 ' HA ' ' CE1' ' A' ' 9' ' ' PHE . . . -81.5 57.53 3.33 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.972 0.415 . . . . 0.0 110.416 179.148 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.3 p -78.0 -52.93 8.03 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.506 -179.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 58.5 mt -77.26 -46.04 28.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.988 0.423 . . . . 0.0 111.148 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.594 ' CE1' ' HA ' ' A' ' 6' ' ' ALA . 0.1 OUTLIER -102.92 47.44 0.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.441 -179.761 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -55.88 -33.04 64.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.174 0.512 . . . . 0.0 111.906 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.437 ' C ' ' H ' ' A' ' 13' ' ' HIS . 21.0 m -57.31 -17.34 6.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 -179.299 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.6 ' HB2' ' HB2' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -72.84 33.35 0.07 Allowed 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -179.472 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.437 ' H ' ' C ' ' A' ' 11' ' ' VAL . 5.4 p-80 -143.35 -36.53 0.37 Allowed 'General case' 0 C--N 1.32 -0.711 0 O-C-N 122.092 -0.38 . . . . 0.0 110.758 179.271 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -105.81 -59.77 1.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.595 179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -65.93 -38.92 89.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.179 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.585 ' HB2' ' HA ' ' A' ' 12' ' ' ASN . 49.4 t -57.41 -55.19 37.95 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 179.101 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.769 ' HB1' ' H ' ' A' ' 28' ' ' GLY . . . -61.09 -43.49 98.81 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.555 178.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.58 -47.98 49.01 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -178.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -60.42 -40.64 91.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.4 0.619 . . . . 0.0 110.319 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.794 ' SG ' ' HB2' ' A' ' 40' ' ' ASN . 58.7 m -69.15 -42.86 75.39 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.985 -179.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.612 HG13 ' O ' ' A' ' 17' ' ' ALA . 61.2 mt -56.19 -39.69 60.77 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 178.032 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.423 ' C ' ' H ' ' A' ' 24' ' ' ARG . . . -57.82 -37.22 73.42 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.403 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -79.96 27.01 0.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.06 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.423 ' H ' ' C ' ' A' ' 22' ' ' ALA . 59.1 mtp85 63.92 39.45 8.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.207 0.527 . . . . 0.0 111.215 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.512 ' HB2' ' O ' ' A' ' 20' ' ' CYS . 45.6 m-85 -120.65 177.02 5.23 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.449 178.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.517 ' O ' HG12 ' A' ' 21' ' ' ILE . 23.6 mmt85 -80.34 -39.22 29.04 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.767 0.318 . . . . 0.0 110.262 -179.556 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 142.16 -136.53 7.32 Favored Glycine 0 N--CA 1.44 -1.041 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.311 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.769 ' H ' ' HB1' ' A' ' 17' ' ' ALA . . . -145.66 141.55 9.86 Favored Glycine 0 N--CA 1.439 -1.139 0 C-N-CA 121.06 -0.591 . . . . 0.0 111.976 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -124.39 137.37 54.47 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.574 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 90.9 m -79.51 130.36 35.32 Favored 'General case' 0 C--N 1.316 -0.885 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.486 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.414 ' HB3' HG22 ' A' ' 37' ' ' VAL . 31.0 p-10 -76.66 -162.48 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.686 -179.171 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.0 t -62.74 -39.62 94.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.607 0.241 . . . . 0.0 110.968 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -80.04 12.89 2.51 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 60.49 34.88 20.37 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 123.037 0.535 . . . . 0.0 112.158 179.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.574 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 53.5 t -101.31 132.63 46.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 178.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.6 ' HB2' ' HB2' ' A' ' 12' ' ' ASN . 42.4 t -67.73 100.38 0.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.024 0.44 . . . . 0.0 111.539 -178.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.414 HG22 ' HB3' ' A' ' 31' ' ' ASN . 25.6 t -85.84 76.95 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 177.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.422 ' HA ' ' HA2' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -76.9 139.71 40.3 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.616 -177.517 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.582 ' HD3' ' N ' ' A' ' 39' ' ' ARG . 0.3 OUTLIER -88.79 29.16 1.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.992 -179.645 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.794 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . 29.1 t30 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.431 -0.795 . . . . 0.0 111.217 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.932 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 28.2 m 74.59 -54.96 0.66 Allowed 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.284 0.634 . . . . 0.0 112.159 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.752 ' HB2' ' HB3' ' A' ' 13' ' ' HIS . 36.4 m 60.15 56.34 3.35 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.055 0.455 . . . . 0.0 110.41 -179.52 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.565 ' HA ' ' ND2' ' A' ' 10' ' ' ASN . 3.4 t70 -73.9 46.0 0.22 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.329 -178.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.551 HD13 HG21 ' A' ' 35' ' ' VAL . 60.2 tp -81.69 -94.05 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.143 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.444 ' HB2' ' HE1' ' A' ' 9' ' ' PHE . . . -78.44 79.14 4.89 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 178.054 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.4 m -41.65 -25.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 115.392 1.627 . . . . 0.0 115.392 -176.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 16.6 pt -51.98 -31.62 14.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-O 121.167 0.508 . . . . 0.0 110.944 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.444 ' HE1' ' HB2' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -152.18 6.29 0.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.521 179.01 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.565 ' ND2' ' HA ' ' A' ' 4' ' ' ASP . 4.1 m120 52.18 43.55 30.5 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.551 -179.016 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.636 ' C ' ' H ' ' A' ' 13' ' ' HIS . 4.2 p 50.11 20.77 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.605 1.162 . . . . 0.0 111.071 -178.264 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 68.4 -25.36 0.13 Allowed 'General case' 0 CA--C 1.526 0.029 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.506 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.752 ' HB3' ' HB2' ' A' ' 3' ' ' CYS . 56.8 p-80 42.03 39.15 1.24 Allowed 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 122.421 1.105 . . . . 0.0 110.503 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -157.58 -42.3 0.07 Allowed 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 113.203 -1.817 . . . . 0.0 107.873 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.2 tp -64.75 -41.12 96.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.217 -0.901 . . . . 0.0 108.866 178.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 9.2 t -57.78 -54.99 40.63 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.717 -1.129 . . . . 0.0 110.355 179.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.33 -34.76 78.01 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.28 -46.11 54.9 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -57.1 -49.17 76.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.49 0.662 . . . . 0.0 109.986 179.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 1.028 ' HB2' ' HA2' ' A' ' 27' ' ' GLY . 0.2 OUTLIER -64.88 -47.56 77.39 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.055 -179.37 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 33.7 mm -57.35 -36.13 51.59 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.336 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.36 -35.62 70.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.284 0.564 . . . . 0.0 110.666 179.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -109.7 40.43 1.89 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.666 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.3 mmt-85 74.63 -121.32 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.487 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.427 ' HB3' ' H ' ' A' ' 26' ' ' ARG . 89.2 m-85 54.05 -148.0 0.48 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.338 0.59 . . . . 0.0 111.55 -179.39 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.659 ' HB3' ' HE ' ' A' ' 39' ' ' ARG . 11.5 tpp85 -142.01 26.17 1.88 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.096 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 1.028 ' HA2' ' HB2' ' A' ' 20' ' ' CYS . . . 67.64 -138.5 33.78 Favored Glycine 0 N--CA 1.443 -0.883 0 CA-C-N 114.536 -1.211 . . . . 0.0 113.568 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.79 145.6 17.6 Favored Glycine 0 N--CA 1.434 -1.467 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 37.5 p90 -120.02 142.77 48.52 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 -179.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.402 ' HB3' ' HA ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -72.35 118.71 15.57 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.894 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 53.6 p30 -75.25 -159.85 0.11 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.973 0.416 . . . . 0.0 111.613 -178.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.9 m -64.04 -34.82 78.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.908 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -88.35 15.97 7.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.116 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 63.31 15.45 8.67 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.962 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.551 HG21 HD13 ' A' ' 5' ' ' LEU . 47.3 t -84.69 128.42 38.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 179.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.9 t -75.15 108.76 8.11 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.014 0.435 . . . . 0.0 110.02 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 31.4 t -93.39 100.09 10.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.078 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.427 ' SG ' ' HB3' ' A' ' 40' ' ' ASN . 25.6 t -74.54 131.95 41.42 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.116 0.484 . . . . 0.0 109.781 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.659 ' HE ' ' HB3' ' A' ' 26' ' ' ARG . 0.3 OUTLIER -84.87 15.23 4.09 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -178.397 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.427 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--N 1.305 -1.333 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.362 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.72 ' HB2' ' SG ' ' A' ' 3' ' ' CYS . . . . . . . . 0 N--CA 1.479 1.02 0 CA-C-O 120.938 0.399 . . . . 0.0 110.748 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.7 m -76.96 29.36 0.13 Allowed 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 121.769 0.795 . . . . 0.0 112.177 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.749 ' HA ' ' HB1' ' A' ' 34' ' ' ALA . 20.5 m -50.75 149.9 3.14 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 114.828 -1.078 . . . . 0.0 112.61 -179.418 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 57.31 41.17 27.01 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 114.463 -1.244 . . . . 0.0 111.923 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 23.8 tp 52.49 58.81 5.01 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.25 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.528 ' CB ' ' HA ' ' A' ' 10' ' ' ASN . . . -72.86 68.18 0.87 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.939 -178.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.9 p -73.48 -109.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.35 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.0 pt -67.68 -44.81 85.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.329 0.585 . . . . 0.0 110.09 179.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -90.1 53.04 2.4 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.774 178.409 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.528 ' HA ' ' CB ' ' A' ' 6' ' ' ALA . 20.9 t-20 -47.54 -34.09 7.22 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.099 -0.955 . . . . 0.0 112.191 -179.018 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.6 p -58.62 -14.98 4.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 113.178 0.806 . . . . 0.0 113.178 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.468 HD22 ' HA ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -70.06 50.12 0.11 Allowed 'General case' 0 N--CA 1.477 0.888 0 CA-C-O 121.618 0.723 . . . . 0.0 112.942 -179.39 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 27.3 p-80 -155.47 -33.73 0.09 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.088 178.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.473 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -72.34 -33.16 67.11 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.754 179.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 mp -58.78 -51.82 68.36 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.121 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 11.8 p -63.98 -51.47 64.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.67 0.271 . . . . 0.0 110.761 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.89 -47.43 82.82 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 14' ' ' ALA . . . -54.51 -45.5 73.32 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.689 0.28 . . . . 0.0 111.337 -179.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -57.92 -49.27 77.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.429 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.627 ' HB2' ' HA2' ' A' ' 27' ' ' GLY . 90.6 m -69.26 -48.07 62.82 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.991 -179.073 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.594 HG13 ' HA3' ' A' ' 27' ' ' GLY . 79.4 mt -52.52 -44.01 43.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 C-N-CA 122.557 0.343 . . . . 0.0 111.568 179.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.9 -43.14 72.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.053 -0.522 . . . . 0.0 112.053 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -81.88 47.42 1.1 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.468 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.5 ptt85 49.92 49.36 20.39 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.404 1.082 . . . . 0.0 113.041 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.471 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 60.8 m-85 -130.38 173.81 10.47 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.901 0.381 . . . . 0.0 110.336 178.251 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 55.9 mtp85 -81.81 -6.24 58.9 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.563 0.697 . . . . 0.0 109.22 178.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.732 ' O ' ' HA ' ' A' ' 38' ' ' CYS . . . 83.72 -57.69 5.04 Favored Glycine 0 C--O 1.216 -0.985 0 CA-C-N 114.753 -1.112 . . . . 0.0 112.734 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 166.7 139.73 2.73 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 119.604 -1.284 . . . . 0.0 112.878 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -103.19 137.73 40.94 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 178.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 33.2 m -93.35 113.17 25.28 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.9 p-10 -75.89 -155.93 0.06 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.267 -178.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.6 t -61.55 -47.84 83.7 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.193 0.521 . . . . 0.0 110.185 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.626 ' HB3' HG22 ' A' ' 35' ' ' VAL . 26.5 tptp -73.94 -2.5 24.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.134 179.273 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.749 ' HB1' ' HA ' ' A' ' 3' ' ' CYS . . . 62.8 30.16 16.69 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.039 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.626 HG22 ' HB3' ' A' ' 33' ' ' LYS . 73.5 t -70.63 137.98 22.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.042 179.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.6 t -74.9 79.24 2.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.171 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.0 t -75.5 68.89 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-O 121.605 0.717 . . . . 0.0 109.321 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.732 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 0.1 OUTLIER -52.08 130.99 31.46 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.336 -1.302 . . . . 0.0 113.191 -177.582 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.464 ' O ' ' HB3' ' A' ' 20' ' ' CYS . 7.8 mmm180 -89.9 118.95 29.86 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 177.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.437 ' HA ' ' CE2' ' A' ' 25' ' ' TYR . 12.3 p-10 . . . . . 0 C--N 1.307 -1.243 0 CA-C-O 118.387 -0.816 . . . . 0.0 110.509 -178.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.964 0 CA-C-O 120.758 0.313 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.1 p -71.8 139.43 48.97 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.706 ' HB2' ' HB3' ' A' ' 13' ' ' HIS . 93.4 m -72.22 53.92 0.29 Allowed 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 121.047 0.451 . . . . 0.0 111.231 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.657 ' HA ' ' HB2' ' A' ' 10' ' ' ASN . 11.3 t70 -86.08 133.7 33.87 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.025 0.44 . . . . 0.0 111.436 -179.518 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -167.62 -51.94 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 179.149 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.41 77.09 9.24 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.266 -1.334 . . . . 0.0 109.36 178.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.477 ' C ' HD11 ' A' ' 8' ' ' ILE . 45.2 m -27.27 129.02 0.05 Allowed 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 114.263 1.208 . . . . 0.0 114.263 -178.026 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.477 HD11 ' C ' ' A' ' 7' ' ' SER . 4.1 mp 76.31 -65.7 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-N 114.294 -1.321 . . . . 0.0 111.306 -179.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -92.1 41.29 1.07 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.573 0.701 . . . . 0.0 109.7 178.191 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.657 ' HB2' ' HA ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -62.97 156.0 25.8 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.541 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.586 HG11 ' HB2' ' A' ' 36' ' ' CYS . 44.0 t -49.64 113.52 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 O-C-N 123.769 0.668 . . . . 0.0 110.262 -179.237 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.609 HD21 ' N ' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -53.42 -13.96 0.69 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.234 -1.348 . . . . 0.0 112.329 -179.469 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.706 ' HB3' ' HB2' ' A' ' 3' ' ' CYS . 52.4 p-80 37.24 37.87 0.1 Allowed 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.478 1.111 . . . . 0.0 113.843 176.258 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -156.0 -41.58 0.08 Allowed 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.491 ' HB3' ' OD1' ' A' ' 12' ' ' ASN . 8.8 tt -70.65 -40.44 73.03 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 178.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.2 p -59.39 -50.82 72.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.028 178.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.764 ' HB3' ' H ' ' A' ' 28' ' ' GLY . . . -63.49 -35.01 79.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.267 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.17 -44.16 61.45 Favored 'General case' 0 N--CA 1.464 0.27 0 O-C-N 123.259 0.35 . . . . 0.0 111.701 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.2 t-80 -57.47 -44.44 84.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.447 0.642 . . . . 0.0 110.134 179.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.742 ' HB2' ' HA2' ' A' ' 27' ' ' GLY . 72.5 m -70.42 -49.83 44.82 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.79 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.565 ' HA ' ' O ' ' A' ' 25' ' ' TYR . 88.6 mt -52.24 -41.21 33.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 C-N-CA 122.596 0.358 . . . . 0.0 110.914 179.119 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.72 -41.69 82.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.191 0.519 . . . . 0.0 110.643 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 71.4 mtp180 -86.43 22.14 1.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.702 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 62.1 mmt-85 68.5 47.02 0.95 Allowed 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.041 0.536 . . . . 0.0 112.406 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.565 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 85.9 m-85 -124.54 159.65 30.14 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.97 178.496 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.44 ' HB3' ' HD2' ' A' ' 39' ' ' ARG . 19.0 tpp180 -67.98 -31.8 71.76 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.742 ' HA2' ' HB2' ' A' ' 20' ' ' CYS . . . 104.23 -143.3 15.67 Favored Glycine 0 N--CA 1.439 -1.102 0 CA-C-N 115.112 -0.949 . . . . 0.0 113.159 178.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.764 ' H ' ' HB3' ' A' ' 17' ' ' ALA . . . -106.63 161.58 13.96 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.725 -0.75 . . . . 0.0 114.678 -178.129 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 42.4 p90 -141.51 139.44 33.27 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.267 -0.967 . . . . 0.0 108.414 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.8 m -71.57 121.06 18.07 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.61 0.243 . . . . 0.0 110.856 -178.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.473 HD22 ' HB ' ' A' ' 35' ' ' VAL . 37.4 p30 -88.05 -155.17 0.3 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.126 179.115 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.2 t -66.49 -39.15 88.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.839 0.352 . . . . 0.0 110.777 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.418 ' HD2' ' N ' ' A' ' 33' ' ' LYS . 10.5 mptt -85.45 11.49 10.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.606 0.241 . . . . 0.0 110.464 179.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.65 25.84 15.65 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.033 -179.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.473 ' HB ' HD22 ' A' ' 31' ' ' ASN . 97.5 t -84.08 135.35 24.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.966 179.238 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.586 ' HB2' HG11 ' A' ' 11' ' ' VAL . 52.8 t -77.05 83.13 3.56 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.698 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.603 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 41.4 t -71.33 100.39 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 179.371 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.451 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 1.3 t -86.74 125.9 34.21 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.901 -177.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 27' ' ' GLY . 61.4 mtt-85 -73.19 121.48 20.36 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 178.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 . . . . . 0 C--N 1.307 -1.241 0 CA-C-O 117.754 -1.117 . . . . 0.0 109.464 -178.929 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.97 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.544 ' HB ' ' HB2' ' A' ' 10' ' ' ASN . 18.8 p -63.02 -48.09 80.25 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.904 -179.399 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.522 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . 19.8 t -173.36 42.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 29.7 t70 72.09 -47.48 0.66 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.921 0.888 . . . . 0.0 110.882 -179.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.41 ' H ' ' C ' ' A' ' 3' ' ' CYS . 50.8 tp -167.72 88.29 0.27 Allowed 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.945 -1.025 . . . . 0.0 108.917 178.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.522 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . . . -162.97 88.39 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.942 -178.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.3 m -89.47 -51.75 5.38 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 111.735 0.272 . . . . 0.0 111.735 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.431 HG13 ' CD2' ' A' ' 9' ' ' PHE . 30.8 pt -76.59 5.28 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 112.697 0.628 . . . . 0.0 112.697 -179.056 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.431 ' CD2' HG13 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -163.66 56.34 0.17 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.103 0.478 . . . . 0.0 110.926 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.544 ' HB2' ' HB ' ' A' ' 2' ' ' THR . 14.2 p-10 -81.35 6.11 15.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.732 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.2 t -59.66 -42.96 90.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-O 121.375 0.607 . . . . 0.0 110.536 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.464 ' O ' ' HB3' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -57.99 131.98 52.06 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.653 178.635 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.584 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 1.9 p-80 108.26 -26.04 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.782 1.633 . . . . 0.0 109.193 -177.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.0 -46.35 9.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.314 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.1 tt -61.96 -50.74 70.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.38 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.559 ' SG ' ' HA ' ' A' ' 13' ' ' HIS . 5.0 p -63.39 -38.79 92.52 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.989 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 13' ' ' HIS . . . -54.27 -35.45 62.56 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.339 -179.635 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.09 -44.25 61.22 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 123.216 0.322 . . . . 0.0 111.512 -179.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 65.8 t-80 -66.06 -41.9 90.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.649 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.703 ' HB2' ' HA2' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -69.85 -43.59 71.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.524 179.831 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.44 HG22 HD12 ' A' ' 21' ' ' ILE . 22.8 mm -58.44 -41.28 81.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 C-N-CA 122.823 0.449 . . . . 0.0 110.21 178.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.79 -33.05 72.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.941 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.5 mmt-85 -84.41 21.04 1.52 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.997 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 64.95 41.99 4.49 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 123.316 0.647 . . . . 0.0 112.328 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -119.8 -166.61 1.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.796 0.332 . . . . 0.0 110.77 178.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 91.7 mtm180 -104.73 28.81 6.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.377 0.608 . . . . 0.0 110.95 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.703 ' HA2' ' HB2' ' A' ' 20' ' ' CYS . . . 69.01 -140.89 35.06 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.37 -0.832 . . . . 0.0 113.856 179.043 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.53 ' H ' ' HB1' ' A' ' 17' ' ' ALA . . . -135.88 138.55 10.01 Favored Glycine 0 N--CA 1.441 -1.008 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.03 -178.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 50.4 p90 -118.81 144.13 46.51 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.546 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 56.9 m -76.92 119.96 21.39 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.728 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.474 ' ND2' HG12 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -75.05 -176.96 3.17 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 178.391 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.9 t -56.84 -29.91 63.29 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.499 0.19 . . . . 0.0 111.235 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.2 mppt? -76.84 16.9 0.47 Allowed 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 50.95 47.17 25.27 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.284 0.633 . . . . 0.0 112.699 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.546 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 4.7 p -139.19 143.23 31.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.946 -0.391 . . . . 0.0 109.946 179.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.8 t -67.03 132.7 48.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.094 -0.503 . . . . 0.0 112.132 -178.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 62.0 t -113.0 84.76 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.532 178.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 13.0 t -65.2 126.58 28.59 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.87 -0.29 50.65 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.497 -178.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.642 ' HB3' ' HA ' ' A' ' 20' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.246 0.886 0 CA-C-O 118.31 -0.852 . . . . 0.0 112.482 -178.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.95 ' HB3' ' HA ' ' A' ' 36' ' ' CYS . . . . . . . . 0 N--CA 1.48 1.04 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.735 ' HB ' ' HB3' ' A' ' 13' ' ' HIS . 1.9 m 51.56 22.62 1.6 Allowed 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.552 0.691 . . . . 0.0 111.953 178.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.0 p -76.98 41.49 0.28 Allowed 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.856 -177.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.864 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 73.9 m-20 -128.72 -70.57 0.67 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.287 0.565 . . . . 0.0 109.853 179.071 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.9 tt -170.84 139.47 1.48 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.42 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.861 ' HB3' ' HA ' ' A' ' 10' ' ' ASN . . . -147.19 30.59 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.109 0.48 . . . . 0.0 110.64 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.6 t 52.01 -137.61 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.333 179.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 36.7 pt -65.85 -31.46 53.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -179.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -91.57 33.79 1.0 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.788 0.328 . . . . 0.0 111.45 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.861 ' HA ' ' HB3' ' A' ' 6' ' ' ALA . 12.2 t-20 -56.63 -32.8 65.67 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.222 0.534 . . . . 0.0 110.611 179.115 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.2 m -55.62 -11.51 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.454 HD22 HG21 ' A' ' 2' ' ' THR . 0.0 OUTLIER -76.81 42.07 0.29 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -179.274 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.735 ' HB3' ' HB ' ' A' ' 2' ' ' THR . 4.9 p-80 -150.41 -40.59 0.13 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.716 177.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.36 -50.79 58.31 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 178.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.419 ' N ' HD23 ' A' ' 15' ' ' LEU . 3.5 mm? -72.31 -38.61 68.66 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.861 178.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.462 ' HB3' ' HA ' ' A' ' 13' ' ' HIS . 52.4 t -56.67 -58.45 8.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.221 -0.899 . . . . 0.0 111.06 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.406 ' O ' HG13 ' A' ' 21' ' ' ILE . . . -61.96 -41.2 97.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.497 0.189 . . . . 0.0 111.394 179.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.89 -42.27 79.56 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.985 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -38.73 92.34 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.107 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.738 ' HB2' ' HA2' ' A' ' 27' ' ' GLY . 13.9 m -65.35 -52.26 55.01 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 178.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.666 ' HA ' ' O ' ' A' ' 25' ' ' TYR . 73.2 mt -54.76 -35.89 34.82 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.064 178.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.3 -37.35 74.87 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 121.134 0.493 . . . . 0.0 110.827 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -85.49 25.62 1.02 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.473 178.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 65.21 23.24 12.24 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.43 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.666 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 23.0 m-85 -97.24 165.06 12.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.988 0.423 . . . . 0.0 110.618 178.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 57.3 mtp85 -69.78 -44.37 70.23 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.841 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.738 ' HA2' ' HB2' ' A' ' 20' ' ' CYS . . . 131.31 -123.69 3.85 Favored Glycine 0 N--CA 1.436 -1.349 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.628 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.421 ' O ' ' HB2' ' A' ' 1' ' ' ALA . . . -157.14 130.35 2.62 Favored Glycine 0 N--CA 1.433 -1.511 0 N-CA-C 111.086 -0.805 . . . . 0.0 111.086 179.286 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -92.83 145.79 24.13 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.45 121.82 22.06 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.283 -179.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.569 ' HB3' HG22 ' A' ' 37' ' ' VAL . 18.4 p-10 -85.79 -178.77 6.69 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 178.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.1 m -57.08 -33.66 67.5 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 111.979 0.362 . . . . 0.0 111.979 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -86.08 8.3 21.31 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.864 ' HB2' ' HB2' ' A' ' 4' ' ' ASP . . . 56.29 46.36 21.28 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 179.213 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.467 HG12 ' N ' ' A' ' 36' ' ' CYS . 90.9 t -110.0 148.69 13.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 179.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.95 ' HA ' ' HB3' ' A' ' 1' ' ' ALA . 35.2 t -73.71 83.69 1.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.046 0.45 . . . . 0.0 110.38 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.569 HG22 ' HB3' ' A' ' 31' ' ' ASN . 8.6 t -78.66 57.51 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.479 0.657 . . . . 0.0 110.023 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.46 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 11.2 t -61.34 139.22 58.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.735 -179.608 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.433 ' HA ' ' NE ' ' A' ' 39' ' ' ARG . 2.7 mmp_? -63.73 -56.13 17.94 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 . . . . . 0 C--O 1.248 1.016 0 O-C-N 124.419 1.074 . . . . 0.0 113.355 176.774 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.0 m 60.25 21.14 10.56 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 121.731 0.776 . . . . 0.0 110.983 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.527 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 67.3 m -56.16 122.71 12.36 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.911 -1.041 . . . . 0.0 112.456 -178.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.2 t0 59.66 104.91 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.379 0.672 . . . . 0.0 111.659 179.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 pp -89.21 -173.74 4.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.172 0.51 . . . . 0.0 111.739 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.434 ' O ' ' HB2' ' A' ' 7' ' ' SER . . . -166.02 -82.28 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.903 179.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.434 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 22.7 t 170.65 -104.07 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.95 -1.023 . . . . 0.0 108.633 178.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 23.2 pt -67.78 -42.26 85.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.975 0.417 . . . . 0.0 110.626 179.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -95.83 50.47 1.2 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.484 0.659 . . . . 0.0 110.334 178.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.419 ' C ' ' H ' ' A' ' 12' ' ' ASN . 17.4 t-20 -68.74 -14.16 62.84 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.995 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.7 m -65.55 10.92 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -179.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.419 ' H ' ' C ' ' A' ' 10' ' ' ASN . 16.1 p-10 -77.0 50.61 0.74 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.503 0.668 . . . . 0.0 111.34 179.241 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 35.4 p-80 -178.48 -30.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.631 178.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.36 -34.35 55.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.246 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.428 HD22 ' C ' ' A' ' 15' ' ' LEU . 7.4 tt -64.57 -52.47 57.44 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.192 -179.42 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.4 p -56.69 -47.94 78.77 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.644 0.259 . . . . 0.0 110.644 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.461 ' O ' HG13 ' A' ' 21' ' ' ILE . . . -59.48 -42.75 92.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.126 179.291 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.99 -43.0 86.35 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.925 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 31.6 t-80 -58.32 -44.84 88.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.654 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.545 ' HB2' ' HA2' ' A' ' 27' ' ' GLY . 68.6 m -65.13 -48.2 74.45 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.448 179.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.668 ' HA ' ' O ' ' A' ' 25' ' ' TYR . 84.1 mt -51.75 -39.77 25.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-O 120.943 0.401 . . . . 0.0 110.807 178.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.97 -37.23 79.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.04 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.0 mmt-85 -86.64 23.5 1.65 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.337 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.7 mtm-85 66.85 27.09 9.17 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.095 0.558 . . . . 0.0 111.33 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.668 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 8.7 m-85 -103.12 159.28 15.66 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.694 178.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.3 tpt180 -68.12 -40.25 82.55 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.987 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.545 ' HA2' ' HB2' ' A' ' 20' ' ' CYS . . . 140.4 -132.24 5.39 Favored Glycine 0 N--CA 1.438 -1.168 0 C-N-CA 120.499 -0.858 . . . . 0.0 111.993 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -138.19 159.69 25.23 Favored Glycine 0 N--CA 1.439 -1.13 0 N-CA-C 111.714 -0.555 . . . . 0.0 111.714 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 35.2 p90 -136.92 143.9 43.17 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.527 ' HB3' ' HB3' ' A' ' 3' ' ' CYS . 0.8 OUTLIER -78.81 122.41 26.02 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.024 0.44 . . . . 0.0 110.692 -179.784 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.701 ' HB3' HG21 ' A' ' 37' ' ' VAL . 23.9 p-10 -80.06 -157.27 0.14 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.134 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.2 t -63.23 -35.71 81.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.898 0.38 . . . . 0.0 110.551 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -88.63 14.16 10.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.528 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.446 ' HA ' ' HB2' ' A' ' 30' ' ' CYS . . . 57.19 26.35 12.08 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.013 -0.539 . . . . 0.0 112.02 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.459 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 70.5 t -86.17 139.95 16.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.273 -0.421 . . . . 0.0 109.875 179.306 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.4 t -70.87 85.35 0.68 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.967 0.413 . . . . 0.0 110.13 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.701 HG21 ' HB3' ' A' ' 31' ' ' ASN . 28.0 t -77.97 77.74 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.177 0.513 . . . . 0.0 109.651 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.61 133.1 43.42 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.482 -179.265 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.64 ' HB2' ' HD2' ' A' ' 25' ' ' TYR . 74.4 mtt-85 -60.55 -56.0 26.61 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 . . . . . 0 C--O 1.246 0.916 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 176.367 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.0 m . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.551 0.215 . . . . 0.0 110.44 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.7 t -178.75 -140.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' A' ' 5' ' ' LEU . 28.4 t70 -164.68 43.59 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.174 0.511 . . . . 0.0 109.679 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.4 ' HB3' ' O ' ' A' ' 4' ' ' ASP . 25.7 tp 69.28 -53.76 0.59 Allowed 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.173 -0.921 . . . . 0.0 112.9 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.525 ' O ' ' HB2' ' A' ' 7' ' ' SER . . . 65.22 -82.61 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.634 0 O-C-N 123.712 0.632 . . . . 0.0 110.437 -179.007 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.525 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 6.7 t 171.31 -112.37 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.778 0 O-C-N 124.008 0.818 . . . . 0.0 109.061 178.785 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.1 mt -104.32 39.49 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 122.307 1.051 . . . . 0.0 109.119 179.16 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.416 ' CE1' ' HB1' ' A' ' 6' ' ' ALA . 0.1 OUTLIER -163.73 35.26 0.09 Allowed 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.212 -1.358 . . . . 0.0 109.384 179.78 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -57.31 -24.05 52.5 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.775 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.6 m -63.5 -3.6 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.562 -0.745 . . . . 0.0 112.283 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.625 ' O ' ' HB2' ' A' ' 36' ' ' CYS . 46.0 p-10 -69.71 57.83 0.14 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.691 0.758 . . . . 0.0 111.91 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.572 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . 54.8 p-80 -159.52 -37.98 0.06 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.479 178.651 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.02 -42.85 36.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.736 0.303 . . . . 0.0 111.09 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -64.48 -50.26 68.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.51 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.493 ' SG ' ' HA ' ' A' ' 13' ' ' HIS . 2.4 p -64.34 -41.2 96.89 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.449 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.625 ' HA ' ' SG ' ' A' ' 38' ' ' CYS . . . -58.37 -30.49 66.82 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -179.135 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -48.32 -45.31 34.97 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 -64.98 -44.69 88.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.173 0.511 . . . . 0.0 110.816 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.625 ' HB3' ' O ' ' A' ' 39' ' ' ARG . 60.7 m -68.66 -53.67 21.01 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.761 -178.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 81.7 mt -53.36 -39.77 37.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 122.709 0.404 . . . . 0.0 111.162 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.62 -37.81 71.21 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.99 0.424 . . . . 0.0 110.805 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.6 mtp85 -83.9 24.59 0.89 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.241 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.8 mmt85 68.16 16.66 9.42 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.237 -0.892 . . . . 0.0 112.645 178.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.46 ' HB2' ' O ' ' A' ' 20' ' ' CYS . 19.2 m-85 -86.24 172.64 10.34 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 178.311 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.426 ' HB2' HH21 ' A' ' 39' ' ' ARG . 7.8 tpm_? -70.29 -36.4 74.33 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -179.147 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.83 -112.71 1.62 Allowed Glycine 0 N--CA 1.438 -1.229 0 CA-C-N 115.373 -0.831 . . . . 0.0 112.57 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -166.56 151.4 19.55 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.345 -179.118 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -137.15 144.13 42.8 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.572 ' SG ' ' HB3' ' A' ' 13' ' ' HIS . 9.4 m -77.06 124.52 27.91 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.652 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 50.8 p30 -78.77 -177.24 5.34 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.288 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.6 m -53.41 -30.96 42.88 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -179.039 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -85.53 18.58 2.71 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 120.872 0.368 . . . . 0.0 111.209 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 53.82 45.63 27.44 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 122.951 0.5 . . . . 0.0 112.25 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.442 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 95.5 t -127.97 137.32 57.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.625 ' HB2' ' O ' ' A' ' 12' ' ' ASN . 40.9 t -66.1 125.64 26.13 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 123.307 0.379 . . . . 0.0 111.199 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 27.3 t -112.44 71.92 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 108.272 -1.011 . . . . 0.0 108.272 178.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.625 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 2.0 t -68.1 127.0 31.3 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.375 -178.003 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.625 ' O ' ' HB3' ' A' ' 20' ' ' CYS . 8.5 mtm180 -87.29 111.54 21.15 Favored 'General case' 0 CA--C 1.508 -0.672 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 178.387 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.2 t30 . . . . . 0 C--N 1.304 -1.393 0 CA-C-O 118.977 -0.535 . . . . 0.0 110.224 -178.625 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.456 -0.173 0 CA-C-O 120.886 0.374 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.6 m 58.2 42.55 21.85 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.214 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -74.8 144.94 43.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.012 0.434 . . . . 0.0 111.137 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.823 ' HB3' ' HE1' ' A' ' 9' ' ' PHE . 6.5 tt -117.34 -45.01 2.74 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.055 -179.099 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -148.07 18.67 1.11 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.377 -179.092 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 24.2 m 67.21 -39.83 0.38 Allowed 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 114.398 1.259 . . . . 0.0 114.398 177.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 59.7 mt -54.85 -66.82 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 111.365 0.135 . . . . 0.0 111.365 -178.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.823 ' HE1' ' HB3' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -83.95 -22.11 31.58 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.191 178.697 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 24.9 t30 57.0 17.66 3.5 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.637 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.72 ' H ' ' HD1' ' A' ' 9' ' ' PHE . 85.6 t 60.01 116.28 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.468 0 CA-C-N 115.397 -0.82 . . . . 0.0 112.152 -179.297 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.439 ' HB2' ' HB2' ' A' ' 15' ' ' LEU . 52.0 p-10 -74.04 39.99 0.12 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.405 178.692 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.799 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 36.9 p-80 -53.85 -30.06 43.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.496 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.59 -44.08 44.94 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.738 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.439 ' HB2' ' HB2' ' A' ' 12' ' ' ASN . 98.9 mt -69.41 -45.01 70.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.506 -179.27 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.473 ' SG ' ' HA ' ' A' ' 13' ' ' HIS . 30.2 p -63.56 -43.02 98.27 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.929 -179.165 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.595 ' HA ' ' SG ' ' A' ' 38' ' ' CYS . . . -65.41 -39.03 91.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.451 179.308 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.4 -34.2 66.51 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.856 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 30.4 t-80 -57.01 -46.76 82.09 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.87 178.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.664 ' SG ' ' HB2' ' A' ' 40' ' ' ASN . 57.5 m -71.1 -44.66 65.19 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.629 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.645 ' HA ' ' O ' ' A' ' 25' ' ' TYR . 75.4 mt -52.25 -38.54 25.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 179.237 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.18 -35.02 74.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.133 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.521 ' N ' ' HD2' ' A' ' 23' ' ' ARG . 5.7 mpt_? -90.6 27.03 1.83 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.065 0.459 . . . . 0.0 110.45 179.202 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 66.55 31.0 8.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.276 -0.875 . . . . 0.0 112.642 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.645 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 45.1 m-85 -103.04 163.81 11.99 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 177.778 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.33 -39.57 65.13 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.085 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.412 ' HA2' ' HB2' ' A' ' 20' ' ' CYS . . . 140.13 -118.51 1.46 Allowed Glycine 0 N--CA 1.44 -1.078 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.772 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.667 ' HA3' ' O ' ' A' ' 37' ' ' VAL . . . -144.83 -138.82 3.36 Favored Glycine 0 N--CA 1.443 -0.88 0 N-CA-C 111.46 -0.656 . . . . 0.0 111.46 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -175.48 134.8 0.31 Allowed 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.0 m -79.99 118.0 21.33 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 -81.15 -166.02 1.05 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.358 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.2 t -60.42 -40.02 89.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.725 0.298 . . . . 0.0 111.236 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -82.72 5.89 19.82 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 60.23 35.29 20.94 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.177 0.513 . . . . 0.0 111.174 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.9 t -78.56 145.16 10.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.038 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.799 ' SG ' ' HA ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -74.87 60.28 0.95 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.255 -179.083 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.667 ' O ' ' HA3' ' A' ' 28' ' ' GLY . 24.8 t -66.57 141.54 17.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 179.03 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.595 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 2.7 t -151.62 149.75 29.51 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 -178.595 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -76.22 -77.36 0.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.608 0.242 . . . . 0.0 111.096 -178.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.664 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . 6.3 t30 . . . . . 0 C--O 1.25 1.082 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.198 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.449 -0.514 0 CA-C-O 120.724 0.297 . . . . 0.0 110.244 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 4' ' ' ASP . 7.5 t -79.33 46.31 0.72 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.439 0.638 . . . . 0.0 110.998 -179.375 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.658 ' HA ' ' O ' ' A' ' 34' ' ' ALA . 33.5 t70 172.36 142.01 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.506 -1.225 . . . . 0.0 107.727 179.294 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.677 HD23 ' H ' ' A' ' 5' ' ' LEU . 0.4 OUTLIER -50.36 111.32 0.51 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.494 0.664 . . . . 0.0 109.895 -179.618 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.609 ' HA ' ' HA ' ' A' ' 10' ' ' ASN . . . -76.94 45.0 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.994 -1.003 . . . . 0.0 113.668 -176.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.2 p -85.34 105.32 15.91 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.985 -0.286 . . . . 0.0 110.282 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 79.5 mt 68.92 -68.91 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 C-N-CA 123.281 0.632 . . . . 0.0 111.632 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.527 ' HB2' ' HB3' ' A' ' 12' ' ' ASN . 0.5 OUTLIER -87.84 53.74 2.87 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.357 0.598 . . . . 0.0 110.797 179.483 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.609 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 17.5 p-10 -51.75 -36.25 46.5 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 -179.111 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.9 t -73.4 -18.36 17.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -178.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.527 ' HB3' ' HB2' ' A' ' 9' ' ' PHE . 0.1 OUTLIER -49.81 -25.02 2.73 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 114.506 1.299 . . . . 0.0 114.506 -178.192 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.573 ' HB3' ' HB3' ' A' ' 4' ' ' ASP . 56.9 p-80 -56.29 -37.81 70.38 Favored 'General case' 0 C--N 1.315 -0.92 0 C-N-CA 120.562 -0.455 . . . . 0.0 111.351 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.57 -45.3 72.46 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.012 0.434 . . . . 0.0 110.397 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.5 mp -63.37 -41.2 98.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.645 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 23.9 t -55.34 -55.81 27.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.819 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.425 ' O ' HG13 ' A' ' 21' ' ' ILE . . . -67.72 -37.19 81.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.768 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.15 -46.07 65.29 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.163 0.289 . . . . 0.0 111.45 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -57.91 -41.64 83.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.777 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.956 ' HB2' ' HA2' ' A' ' 27' ' ' GLY . 1.8 m -72.98 -52.31 14.98 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.946 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.725 ' HA ' ' O ' ' A' ' 25' ' ' TYR . 81.5 mt -53.59 -42.21 49.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.484 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.96 -40.09 92.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.028 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -83.8 31.58 0.48 Allowed 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 65.65 49.42 1.77 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 122.678 0.391 . . . . 0.0 111.951 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.725 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 75.5 m-85 -140.03 165.76 26.49 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.7 0.762 . . . . 0.0 111.56 179.714 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -71.64 -39.7 70.22 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 114.383 -1.28 . . . . 0.0 109.189 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.956 ' HA2' ' HB2' ' A' ' 20' ' ' CYS . . . 110.4 -154.16 16.72 Favored Glycine 0 N--CA 1.439 -1.127 0 CA-C-N 114.755 -1.112 . . . . 0.0 112.334 179.196 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.508 ' CA ' ' HA ' ' A' ' 38' ' ' CYS . . . -106.22 123.65 7.51 Favored Glycine 0 N--CA 1.44 -1.069 0 C-N-CA 120.234 -0.984 . . . . 0.0 113.44 -179.221 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 20.8 p90 -97.32 134.92 39.97 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.474 ' HB2' ' HA ' ' A' ' 34' ' ' ALA . 1.7 p -77.13 118.33 19.55 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 120.841 0.353 . . . . 0.0 110.797 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 35.4 p-10 -79.18 -159.3 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.833 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.7 t -61.26 -39.92 92.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.647 0.26 . . . . 0.0 110.683 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -84.97 13.73 5.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.684 -0.234 . . . . 0.0 111.452 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.658 ' O ' ' HA ' ' A' ' 4' ' ' ASP . . . 55.59 39.51 30.97 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.234 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.0 t -93.4 128.85 44.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.5 t -73.48 80.51 1.44 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.848 0.356 . . . . 0.0 110.783 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.477 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 12.7 t -73.99 83.51 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 179.661 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.508 ' HA ' ' CA ' ' A' ' 28' ' ' GLY . 6.4 t -65.63 129.48 39.9 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 -177.632 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.436 ' HD2' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -82.72 134.23 35.14 Favored 'General case' 0 CA--C 1.508 -0.657 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 176.732 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 . . . . . 0 C--N 1.302 -1.466 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.634 -179.111 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.451 -0.39 0 CA-C-O 120.86 0.362 . . . . 0.0 110.1 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.482 ' HB2' ' HB2' ' A' ' 6' ' ' ALA . 94.2 m -81.85 59.17 4.15 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -178.696 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 51.85 -114.26 0.8 Allowed 'General case' 0 C--O 1.233 0.223 0 C-N-CA 122.959 0.504 . . . . 0.0 112.131 179.132 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 75.0 mt -80.91 35.14 0.36 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.421 -178.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.602 ' HA ' ' CE1' ' A' ' 9' ' ' PHE . . . -81.5 57.53 3.33 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.972 0.415 . . . . 0.0 110.416 179.148 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.3 p -78.0 -52.93 8.03 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.506 -179.225 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 58.5 mt -77.26 -46.04 28.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.988 0.423 . . . . 0.0 111.148 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.602 ' CE1' ' HA ' ' A' ' 6' ' ' ALA . 0.1 OUTLIER -102.92 47.44 0.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.441 -179.761 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -55.88 -33.04 64.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.174 0.512 . . . . 0.0 111.906 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.0 m -57.31 -17.34 6.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.623 ' HB2' ' HB2' ' A' ' 36' ' ' CYS . 47.4 p-10 -72.84 33.35 0.07 Allowed 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -179.472 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 5.4 p-80 -143.35 -36.53 0.37 Allowed 'General case' 0 C--N 1.32 -0.711 0 O-C-N 122.092 -0.38 . . . . 0.0 110.758 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -105.81 -59.77 1.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.595 179.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -65.93 -38.92 89.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.179 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.611 ' HB2' ' HA ' ' A' ' 12' ' ' ASN . 49.4 t -57.41 -55.19 37.95 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 179.101 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.614 ' O ' HG13 ' A' ' 21' ' ' ILE . . . -61.09 -43.49 98.81 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.555 178.623 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.58 -47.98 49.01 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -178.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -60.42 -40.64 91.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.4 0.619 . . . . 0.0 110.319 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.796 ' SG ' ' HB2' ' A' ' 40' ' ' ASN . 58.7 m -69.15 -42.86 75.39 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.985 -179.624 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.614 HG13 ' O ' ' A' ' 17' ' ' ALA . 61.2 mt -56.19 -39.69 60.77 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 178.032 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.82 -37.22 73.42 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.403 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -79.96 27.01 0.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.06 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 59.1 mtp85 63.92 39.45 8.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.207 0.527 . . . . 0.0 111.215 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.513 ' HB2' ' O ' ' A' ' 20' ' ' CYS . 45.6 m-85 -120.65 177.02 5.23 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.449 178.647 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.527 ' O ' HG12 ' A' ' 21' ' ' ILE . 23.6 mmt85 -80.34 -39.22 29.04 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.767 0.318 . . . . 0.0 110.262 -179.556 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 142.16 -136.53 7.32 Favored Glycine 0 N--CA 1.44 -1.041 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.311 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.466 ' HA2' ' HA ' ' A' ' 38' ' ' CYS . . . -145.66 141.55 9.86 Favored Glycine 0 N--CA 1.439 -1.139 0 C-N-CA 121.06 -0.591 . . . . 0.0 111.976 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -124.39 137.37 54.47 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.591 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 90.9 m -79.51 130.36 35.32 Favored 'General case' 0 C--N 1.316 -0.885 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.486 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -76.66 -162.48 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.686 -179.171 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.0 t -62.74 -39.62 94.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.607 0.241 . . . . 0.0 110.968 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -80.04 12.89 2.51 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 60.49 34.88 20.37 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 123.037 0.535 . . . . 0.0 112.158 179.27 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.591 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 53.5 t -101.31 132.63 46.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 178.575 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.623 ' HB2' ' HB2' ' A' ' 12' ' ' ASN . 42.4 t -67.73 100.38 0.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.024 0.44 . . . . 0.0 111.539 -178.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 25.6 t -85.84 76.95 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 177.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.466 ' HA ' ' HA2' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -76.9 139.71 40.3 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.616 -177.517 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.583 ' HD3' ' N ' ' A' ' 39' ' ' ARG . 0.3 OUTLIER -88.79 29.16 1.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.992 -179.645 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.796 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . 29.1 t30 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.431 -0.795 . . . . 0.0 111.217 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 28.2 m . . . . . 0 N--CA 1.466 0.373 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.805 ' HB2' ' HB3' ' A' ' 13' ' ' HIS . 36.4 m 60.15 56.34 3.35 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.055 0.455 . . . . 0.0 110.41 -179.52 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.565 ' HA ' ' ND2' ' A' ' 10' ' ' ASN . 3.4 t70 -73.9 46.0 0.22 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.329 -178.583 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.5 HD13 HG22 ' A' ' 35' ' ' VAL . 60.2 tp -81.69 -94.05 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.143 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.511 ' HB3' ' HE1' ' A' ' 9' ' ' PHE . . . -78.44 79.14 4.89 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 178.054 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.4 m -41.65 -25.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 115.392 1.627 . . . . 0.0 115.392 -176.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 16.6 pt -51.98 -31.62 14.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-O 121.167 0.508 . . . . 0.0 110.944 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.511 ' HE1' ' HB3' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -152.18 6.29 0.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.521 179.01 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.565 ' ND2' ' HA ' ' A' ' 4' ' ' ASP . 4.1 m120 52.18 43.55 30.5 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.551 -179.016 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.612 ' C ' ' H ' ' A' ' 13' ' ' HIS . 4.2 p 50.11 20.77 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.605 1.162 . . . . 0.0 111.071 -178.264 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 68.4 -25.36 0.13 Allowed 'General case' 0 CA--C 1.526 0.029 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.506 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.805 ' HB3' ' HB2' ' A' ' 3' ' ' CYS . 56.8 p-80 42.03 39.15 1.24 Allowed 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 122.421 1.105 . . . . 0.0 110.503 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -157.58 -42.3 0.07 Allowed 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 113.203 -1.817 . . . . 0.0 107.873 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.2 tp -64.75 -41.12 96.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.217 -0.901 . . . . 0.0 108.866 178.052 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 9.2 t -57.78 -54.99 40.63 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.717 -1.129 . . . . 0.0 110.355 179.142 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.404 ' O ' HG12 ' A' ' 21' ' ' ILE . . . -67.33 -34.76 78.01 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.28 -46.11 54.9 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.092 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -57.1 -49.17 76.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.49 0.662 . . . . 0.0 109.986 179.221 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 1.057 ' HB2' ' HA2' ' A' ' 27' ' ' GLY . 0.2 OUTLIER -64.88 -47.56 77.39 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.055 -179.37 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 17' ' ' ALA . 33.7 mm -57.35 -36.13 51.59 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.336 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.36 -35.62 70.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.284 0.564 . . . . 0.0 110.666 179.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -109.7 40.43 1.89 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.666 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.3 mmt-85 74.63 -121.32 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.487 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 54.05 -148.0 0.48 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.338 0.59 . . . . 0.0 111.55 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.715 ' HB3' ' HE ' ' A' ' 39' ' ' ARG . 11.5 tpp85 -142.01 26.17 1.88 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.096 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 1.057 ' HA2' ' HB2' ' A' ' 20' ' ' CYS . . . 67.64 -138.5 33.78 Favored Glycine 0 N--CA 1.443 -0.883 0 CA-C-N 114.536 -1.211 . . . . 0.0 113.568 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.79 145.6 17.6 Favored Glycine 0 N--CA 1.434 -1.467 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 37.5 p90 -120.02 142.77 48.52 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 -179.114 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.412 ' HB3' ' HA ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -72.35 118.71 15.57 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.894 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 53.6 p30 -75.25 -159.85 0.11 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.973 0.416 . . . . 0.0 111.613 -178.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.9 m -64.04 -34.82 78.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.908 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -88.35 15.97 7.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.116 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 63.31 15.45 8.67 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.962 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.5 HG22 HD13 ' A' ' 5' ' ' LEU . 47.3 t -84.69 128.42 38.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 179.043 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.9 t -75.15 108.76 8.11 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.014 0.435 . . . . 0.0 110.02 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 31.4 t -93.39 100.09 10.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.078 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.42 ' SG ' ' HB3' ' A' ' 40' ' ' ASN . 25.6 t -74.54 131.95 41.42 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.116 0.484 . . . . 0.0 109.781 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.715 ' HE ' ' HB3' ' A' ' 26' ' ' ARG . 0.3 OUTLIER -84.87 15.23 4.09 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -178.397 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.42 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 52.2 p-10 . . . . . 0 C--N 1.305 -1.333 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.362 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.7 m . . . . . 0 CA--C 1.537 0.473 0 CA-C-O 121.769 0.795 . . . . 0.0 112.177 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.773 ' HA ' ' HB1' ' A' ' 34' ' ' ALA . 20.5 m -50.75 149.9 3.14 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 114.828 -1.078 . . . . 0.0 112.61 -179.418 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.405 ' OD1' ' HA ' ' A' ' 35' ' ' VAL . 13.8 m-20 57.31 41.17 27.01 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 114.463 -1.244 . . . . 0.0 111.923 179.336 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 23.8 tp 52.49 58.81 5.01 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.25 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.833 ' HB1' ' HA ' ' A' ' 10' ' ' ASN . . . -72.86 68.18 0.87 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.939 -178.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.9 p -73.48 -109.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.35 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.0 pt -67.68 -44.81 85.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.329 0.585 . . . . 0.0 110.09 179.133 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -90.1 53.04 2.4 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.774 178.409 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.833 ' HA ' ' HB1' ' A' ' 6' ' ' ALA . 20.9 t-20 -47.54 -34.09 7.22 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.099 -0.955 . . . . 0.0 112.191 -179.018 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.6 p -58.62 -14.98 4.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 113.178 0.806 . . . . 0.0 113.178 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 43.7 p-10 -70.06 50.12 0.11 Allowed 'General case' 0 N--CA 1.477 0.888 0 CA-C-O 121.618 0.723 . . . . 0.0 112.942 -179.39 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 27.3 p-80 -155.47 -33.73 0.09 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.088 178.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.34 -33.16 67.11 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.754 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 mp -58.78 -51.82 68.36 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.121 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 11.8 p -63.98 -51.47 64.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.67 0.271 . . . . 0.0 110.761 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.89 -47.43 82.82 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.51 -45.5 73.32 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.689 0.28 . . . . 0.0 111.337 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -57.92 -49.27 77.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.429 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.67 ' HB2' ' HA2' ' A' ' 27' ' ' GLY . 90.6 m -69.26 -48.07 62.82 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.991 -179.073 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.62 HG13 ' HA3' ' A' ' 27' ' ' GLY . 79.4 mt -52.52 -44.01 43.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 C-N-CA 122.557 0.343 . . . . 0.0 111.568 179.372 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.9 -43.14 72.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.053 -0.522 . . . . 0.0 112.053 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -81.88 47.42 1.1 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.468 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.5 ptt85 49.92 49.36 20.39 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.404 1.082 . . . . 0.0 113.041 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.483 ' HB3' ' HB2' ' A' ' 39' ' ' ARG . 60.8 m-85 -130.38 173.81 10.47 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.901 0.381 . . . . 0.0 110.336 178.251 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 55.9 mtp85 -81.81 -6.24 58.9 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.563 0.697 . . . . 0.0 109.22 178.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.733 ' O ' ' HA ' ' A' ' 38' ' ' CYS . . . 83.72 -57.69 5.04 Favored Glycine 0 C--O 1.216 -0.985 0 CA-C-N 114.753 -1.112 . . . . 0.0 112.734 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 166.7 139.73 2.73 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 119.604 -1.284 . . . . 0.0 112.878 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -103.19 137.73 40.94 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 178.718 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 33.2 m -93.35 113.17 25.28 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.9 p-10 -75.89 -155.93 0.06 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.267 -178.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.6 t -61.55 -47.84 83.7 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.193 0.521 . . . . 0.0 110.185 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.567 ' HB3' HG23 ' A' ' 35' ' ' VAL . 26.5 tptp -73.94 -2.5 24.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.134 179.273 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.773 ' HB1' ' HA ' ' A' ' 3' ' ' CYS . . . 62.8 30.16 16.69 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.039 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.567 HG23 ' HB3' ' A' ' 33' ' ' LYS . 73.5 t -70.63 137.98 22.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.042 179.714 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.6 t -74.9 79.24 2.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.171 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.0 t -75.5 68.89 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-O 121.605 0.717 . . . . 0.0 109.321 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.733 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 0.1 OUTLIER -52.08 130.99 31.46 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.336 -1.302 . . . . 0.0 113.191 -177.582 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.483 ' HB2' ' HB3' ' A' ' 25' ' ' TYR . 7.8 mmm180 -89.9 118.95 29.86 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 177.419 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.455 ' HA ' ' CE2' ' A' ' 25' ' ' TYR . 12.3 p-10 . . . . . 0 C--N 1.307 -1.243 0 CA-C-O 118.387 -0.816 . . . . 0.0 110.509 -178.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.1 p . . . . . 0 N--CA 1.449 -0.524 0 CA-C-O 120.413 0.149 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.706 ' HB2' ' HB3' ' A' ' 13' ' ' HIS . 93.4 m -72.22 53.92 0.29 Allowed 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 121.047 0.451 . . . . 0.0 111.231 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.682 ' HA ' ' HB2' ' A' ' 10' ' ' ASN . 11.3 t70 -86.08 133.7 33.87 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.025 0.44 . . . . 0.0 111.436 -179.518 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.569 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 0.7 OUTLIER -167.62 -51.94 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 179.149 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.41 77.09 9.24 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.266 -1.334 . . . . 0.0 109.36 178.14 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.412 ' O ' ' HB ' ' A' ' 8' ' ' ILE . 45.2 m -27.27 129.02 0.05 Allowed 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 114.263 1.208 . . . . 0.0 114.263 -178.026 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.412 ' HB ' ' O ' ' A' ' 7' ' ' SER . 4.1 mp 76.31 -65.7 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-N 114.294 -1.321 . . . . 0.0 111.306 -179.681 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -92.1 41.29 1.07 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.573 0.701 . . . . 0.0 109.7 178.191 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.682 ' HB2' ' HA ' ' A' ' 4' ' ' ASP . 39.5 p-10 -62.97 156.0 25.8 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.541 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.645 HG11 ' HB2' ' A' ' 36' ' ' CYS . 44.0 t -49.64 113.52 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 O-C-N 123.769 0.668 . . . . 0.0 110.262 -179.237 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.657 ' ND2' ' HB3' ' A' ' 15' ' ' LEU . 23.9 p30 -53.42 -13.96 0.69 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.234 -1.348 . . . . 0.0 112.329 -179.469 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.706 ' HB3' ' HB2' ' A' ' 3' ' ' CYS . 52.4 p-80 37.24 37.87 0.1 Allowed 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.478 1.111 . . . . 0.0 113.843 176.258 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -156.0 -41.58 0.08 Allowed 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.657 ' HB3' ' ND2' ' A' ' 12' ' ' ASN . 8.8 tt -70.65 -40.44 73.03 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 178.467 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.2 p -59.39 -50.82 72.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.028 178.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.482 ' HB2' ' H ' ' A' ' 28' ' ' GLY . . . -63.49 -35.01 79.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.267 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.17 -44.16 61.45 Favored 'General case' 0 N--CA 1.464 0.27 0 O-C-N 123.259 0.35 . . . . 0.0 111.701 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.2 t-80 -57.47 -44.44 84.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.447 0.642 . . . . 0.0 110.134 179.13 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.771 ' HB2' ' HA2' ' A' ' 27' ' ' GLY . 72.5 m -70.42 -49.83 44.82 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.79 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.577 ' HA ' ' O ' ' A' ' 25' ' ' TYR . 88.6 mt -52.24 -41.21 33.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 C-N-CA 122.596 0.358 . . . . 0.0 110.914 179.119 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.72 -41.69 82.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.191 0.519 . . . . 0.0 110.643 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 71.4 mtp180 -86.43 22.14 1.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.702 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 62.1 mmt-85 68.5 47.02 0.95 Allowed 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.041 0.536 . . . . 0.0 112.406 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.577 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 85.9 m-85 -124.54 159.65 30.14 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.97 178.496 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.457 ' HB3' ' HD2' ' A' ' 39' ' ' ARG . 19.0 tpp180 -67.98 -31.8 71.76 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.771 ' HA2' ' HB2' ' A' ' 20' ' ' CYS . . . 104.23 -143.3 15.67 Favored Glycine 0 N--CA 1.439 -1.102 0 CA-C-N 115.112 -0.949 . . . . 0.0 113.159 178.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.617 ' HA2' ' O ' ' A' ' 37' ' ' VAL . . . -106.63 161.58 13.96 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.725 -0.75 . . . . 0.0 114.678 -178.129 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 42.4 p90 -141.51 139.44 33.27 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.267 -0.967 . . . . 0.0 108.414 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.8 m -71.57 121.06 18.07 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.61 0.243 . . . . 0.0 110.856 -178.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.479 HD21 ' HB ' ' A' ' 35' ' ' VAL . 37.4 p30 -88.05 -155.17 0.3 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.126 179.115 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.2 t -66.49 -39.15 88.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.839 0.352 . . . . 0.0 110.777 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.424 ' HD2' ' N ' ' A' ' 33' ' ' LYS . 10.5 mptt -85.45 11.49 10.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.606 0.241 . . . . 0.0 110.464 179.617 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.569 ' HB3' ' HB2' ' A' ' 5' ' ' LEU . . . 61.65 25.84 15.65 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.033 -179.193 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.479 ' HB ' HD21 ' A' ' 31' ' ' ASN . 97.5 t -84.08 135.35 24.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.966 179.238 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.645 ' HB2' HG11 ' A' ' 11' ' ' VAL . 52.8 t -77.05 83.13 3.56 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.698 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.617 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 41.4 t -71.33 100.39 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 179.371 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.472 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 1.3 t -86.74 125.9 34.21 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.901 -177.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.457 ' HD2' ' HB3' ' A' ' 26' ' ' ARG . 61.4 mtt-85 -73.19 121.48 20.36 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 178.704 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 . . . . . 0 C--N 1.307 -1.241 0 CA-C-O 117.754 -1.117 . . . . 0.0 109.464 -178.929 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.577 ' HB ' ' HB2' ' A' ' 10' ' ' ASN . 18.8 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.628 ' HB3' ' HB3' ' A' ' 6' ' ' ALA . 19.8 t -173.36 42.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 29.7 t70 72.09 -47.48 0.66 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.921 0.888 . . . . 0.0 110.882 -179.126 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 50.8 tp -167.72 88.29 0.27 Allowed 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.945 -1.025 . . . . 0.0 108.917 178.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.628 ' HB3' ' HB3' ' A' ' 3' ' ' CYS . . . -162.97 88.39 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.942 -178.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.3 m -89.47 -51.75 5.38 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 111.735 0.272 . . . . 0.0 111.735 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.44 HG13 ' CD2' ' A' ' 9' ' ' PHE . 30.8 pt -76.59 5.28 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 112.697 0.628 . . . . 0.0 112.697 -179.056 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.575 ' HD1' ' HB1' ' A' ' 6' ' ' ALA . 0.1 OUTLIER -163.66 56.34 0.17 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.103 0.478 . . . . 0.0 110.926 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.577 ' HB2' ' HB ' ' A' ' 2' ' ' THR . 14.2 p-10 -81.35 6.11 15.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.732 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.2 t -59.66 -42.96 90.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-O 121.375 0.607 . . . . 0.0 110.536 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.455 ' O ' ' HB3' ' A' ' 13' ' ' HIS . 17.3 p30 -57.99 131.98 52.06 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.653 178.635 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.508 ' HA ' ' SG ' ' A' ' 16' ' ' CYS . 1.9 p-80 108.26 -26.04 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.782 1.633 . . . . 0.0 109.193 -177.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.0 -46.35 9.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.314 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.1 tt -61.96 -50.74 70.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.38 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.508 ' SG ' ' HA ' ' A' ' 13' ' ' HIS . 5.0 p -63.39 -38.79 92.52 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.989 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.52 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . . . -54.27 -35.45 62.56 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.339 -179.635 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.09 -44.25 61.22 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 123.216 0.322 . . . . 0.0 111.512 -179.384 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 65.8 t-80 -66.06 -41.9 90.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.649 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.681 ' HB2' ' HA2' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -69.85 -43.59 71.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.524 179.831 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.8 mm -58.44 -41.28 81.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 C-N-CA 122.823 0.449 . . . . 0.0 110.21 178.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.79 -33.05 72.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.941 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.5 mmt-85 -84.41 21.04 1.52 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.997 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 64.95 41.99 4.49 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 123.316 0.647 . . . . 0.0 112.328 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -119.8 -166.61 1.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.796 0.332 . . . . 0.0 110.77 178.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 91.7 mtm180 -104.73 28.81 6.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.377 0.608 . . . . 0.0 110.95 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.681 ' HA2' ' HB2' ' A' ' 20' ' ' CYS . . . 69.01 -140.89 35.06 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.37 -0.832 . . . . 0.0 113.856 179.043 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.88 138.55 10.01 Favored Glycine 0 N--CA 1.441 -1.008 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.03 -178.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 50.4 p90 -118.81 144.13 46.51 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.544 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 56.9 m -76.92 119.96 21.39 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.728 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.515 ' ND2' ' HE2' ' A' ' 33' ' ' LYS . 50.2 p-10 -75.05 -176.96 3.17 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 178.391 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.9 t -56.84 -29.91 63.29 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.499 0.19 . . . . 0.0 111.235 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.515 ' HE2' ' ND2' ' A' ' 31' ' ' ASN . 4.2 mppt? -76.84 16.9 0.47 Allowed 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 50.95 47.17 25.27 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.284 0.633 . . . . 0.0 112.699 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.544 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 4.7 p -139.19 143.23 31.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.946 -0.391 . . . . 0.0 109.946 179.448 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.8 t -67.03 132.7 48.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.094 -0.503 . . . . 0.0 112.132 -178.481 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 62.0 t -113.0 84.76 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.532 178.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 13.0 t -65.2 126.58 28.59 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.87 -0.29 50.65 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.497 -178.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.647 ' HB3' ' HA ' ' A' ' 20' ' ' CYS . 51.6 p-10 . . . . . 0 C--O 1.246 0.886 0 CA-C-O 118.31 -0.852 . . . . 0.0 112.482 -178.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.744 ' HB ' ' HB3' ' A' ' 13' ' ' HIS . 1.9 m . . . . . 0 N--CA 1.471 0.607 0 CA-C-O 121.552 0.691 . . . . 0.0 111.953 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.0 p -76.98 41.49 0.28 Allowed 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.856 -177.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.572 ' HB2' ' CB ' ' A' ' 34' ' ' ALA . 73.9 m-20 -128.72 -70.57 0.67 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.287 0.565 . . . . 0.0 109.853 179.071 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.9 tt -170.84 139.47 1.48 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.42 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.926 ' HB3' ' HA ' ' A' ' 10' ' ' ASN . . . -147.19 30.59 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.109 0.48 . . . . 0.0 110.64 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.6 t 52.01 -137.61 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.333 179.266 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 36.7 pt -65.85 -31.46 53.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -179.205 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -91.57 33.79 1.0 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.788 0.328 . . . . 0.0 111.45 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.926 ' HA ' ' HB3' ' A' ' 6' ' ' ALA . 12.2 t-20 -56.63 -32.8 65.67 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.222 0.534 . . . . 0.0 110.611 179.115 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.2 m -55.62 -11.51 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 48.1 p-10 -76.81 42.07 0.29 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -179.274 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.744 ' HB3' ' HB ' ' A' ' 2' ' ' THR . 4.9 p-80 -150.41 -40.59 0.13 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.716 177.555 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.36 -50.79 58.31 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 178.213 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -72.31 -38.61 68.66 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.861 178.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.447 ' HB3' ' HA ' ' A' ' 13' ' ' HIS . 52.4 t -56.67 -58.45 8.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.221 -0.899 . . . . 0.0 111.06 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.404 ' O ' HG13 ' A' ' 21' ' ' ILE . . . -61.96 -41.2 97.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.497 0.189 . . . . 0.0 111.394 179.749 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.89 -42.27 79.56 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.985 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -38.73 92.34 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.107 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.763 ' HB2' ' HA2' ' A' ' 27' ' ' GLY . 13.9 m -65.35 -52.26 55.01 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 178.732 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.675 ' HA ' ' O ' ' A' ' 25' ' ' TYR . 73.2 mt -54.76 -35.89 34.82 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.064 178.709 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.3 -37.35 74.87 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 121.134 0.493 . . . . 0.0 110.827 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -85.49 25.62 1.02 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.473 178.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 65.21 23.24 12.24 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.43 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.675 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 23.0 m-85 -97.24 165.06 12.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.988 0.423 . . . . 0.0 110.618 178.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 57.3 mtp85 -69.78 -44.37 70.23 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.841 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.763 ' HA2' ' HB2' ' A' ' 20' ' ' CYS . . . 131.31 -123.69 3.85 Favored Glycine 0 N--CA 1.436 -1.349 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.628 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -157.14 130.35 2.62 Favored Glycine 0 N--CA 1.433 -1.511 0 N-CA-C 111.086 -0.805 . . . . 0.0 111.086 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -92.83 145.79 24.13 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.45 121.82 22.06 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.283 -179.596 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.51 ' HB3' HG21 ' A' ' 37' ' ' VAL . 18.4 p-10 -85.79 -178.77 6.69 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 178.268 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.1 m -57.08 -33.66 67.5 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 111.979 0.362 . . . . 0.0 111.979 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -86.08 8.3 21.31 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.572 ' CB ' ' HB2' ' A' ' 4' ' ' ASP . . . 56.29 46.36 21.28 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 179.213 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.9 t -110.0 148.69 13.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 35.2 t -73.71 83.69 1.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.046 0.45 . . . . 0.0 110.38 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.547 HG12 HH21 ' A' ' 39' ' ' ARG . 8.6 t -78.66 57.51 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.479 0.657 . . . . 0.0 110.023 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.468 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 11.2 t -61.34 139.22 58.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.735 -179.608 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.547 HH21 HG12 ' A' ' 37' ' ' VAL . 2.7 mmp_? -63.73 -56.13 17.94 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.416 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 . . . . . 0 C--O 1.248 1.016 0 O-C-N 124.419 1.074 . . . . 0.0 113.355 176.774 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.422 ' HA ' ' CE1' ' A' ' 13' ' ' HIS . 2.0 m . . . . . 0 CA--C 1.536 0.408 0 CA-C-O 121.731 0.776 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.517 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 67.3 m -56.16 122.71 12.36 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.911 -1.041 . . . . 0.0 112.456 -178.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.2 t0 59.66 104.91 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.379 0.672 . . . . 0.0 111.659 179.133 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 pp -89.21 -173.74 4.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.172 0.51 . . . . 0.0 111.739 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.444 ' O ' ' HB2' ' A' ' 7' ' ' SER . . . -166.02 -82.28 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.903 179.419 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.444 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 22.7 t 170.65 -104.07 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.95 -1.023 . . . . 0.0 108.633 178.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 23.2 pt -67.78 -42.26 85.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.975 0.417 . . . . 0.0 110.626 179.281 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.409 ' CE1' ' HB1' ' A' ' 6' ' ' ALA . 0.3 OUTLIER -95.83 50.47 1.2 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.484 0.659 . . . . 0.0 110.334 178.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -68.74 -14.16 62.84 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.995 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.7 m -65.55 10.92 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -179.487 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -77.0 50.61 0.74 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.503 0.668 . . . . 0.0 111.34 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.422 ' CE1' ' HA ' ' A' ' 2' ' ' THR . 32.7 p80 -178.48 -30.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.631 178.683 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.36 -34.35 55.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.246 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.4 tt -64.57 -52.47 57.44 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.192 -179.42 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.4 p -56.69 -47.94 78.77 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.644 0.259 . . . . 0.0 110.644 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.462 ' O ' HG13 ' A' ' 21' ' ' ILE . . . -59.48 -42.75 92.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.126 179.291 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.99 -43.0 86.35 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.925 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 31.6 t-80 -58.32 -44.84 88.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.654 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.569 ' HB2' ' HA2' ' A' ' 27' ' ' GLY . 68.6 m -65.13 -48.2 74.45 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.448 179.443 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.679 ' HA ' ' O ' ' A' ' 25' ' ' TYR . 84.1 mt -51.75 -39.77 25.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-O 120.943 0.401 . . . . 0.0 110.807 178.746 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.97 -37.23 79.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.04 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.0 mmt-85 -86.64 23.5 1.65 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.337 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.7 mtm-85 66.85 27.09 9.17 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.095 0.558 . . . . 0.0 111.33 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.679 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 8.7 m-85 -103.12 159.28 15.66 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.694 178.664 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.3 tpt180 -68.12 -40.25 82.55 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.987 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.569 ' HA2' ' HB2' ' A' ' 20' ' ' CYS . . . 140.4 -132.24 5.39 Favored Glycine 0 N--CA 1.438 -1.168 0 C-N-CA 120.499 -0.858 . . . . 0.0 111.993 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.421 ' HA2' ' HA ' ' A' ' 38' ' ' CYS . . . -138.19 159.69 25.23 Favored Glycine 0 N--CA 1.439 -1.13 0 N-CA-C 111.714 -0.555 . . . . 0.0 111.714 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 35.2 p90 -136.92 143.9 43.17 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.517 ' HB3' ' HB3' ' A' ' 3' ' ' CYS . 0.8 OUTLIER -78.81 122.41 26.02 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.024 0.44 . . . . 0.0 110.692 -179.784 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.498 ' HB3' HG21 ' A' ' 37' ' ' VAL . 23.9 p-10 -80.06 -157.27 0.14 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.134 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.2 t -63.23 -35.71 81.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.898 0.38 . . . . 0.0 110.551 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -88.63 14.16 10.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.528 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.482 ' HA ' ' HB2' ' A' ' 30' ' ' CYS . . . 57.19 26.35 12.08 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.013 -0.539 . . . . 0.0 112.02 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.469 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 70.5 t -86.17 139.95 16.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.273 -0.421 . . . . 0.0 109.875 179.306 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.4 t -70.87 85.35 0.68 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.967 0.413 . . . . 0.0 110.13 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.498 HG21 ' HB3' ' A' ' 31' ' ' ASN . 28.0 t -77.97 77.74 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.177 0.513 . . . . 0.0 109.651 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.421 ' HA ' ' HA2' ' A' ' 28' ' ' GLY . 0.5 OUTLIER -73.61 133.1 43.42 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.482 -179.265 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.662 ' HB2' ' HD2' ' A' ' 25' ' ' TYR . 74.4 mtt-85 -60.55 -56.0 26.61 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 . . . . . 0 C--O 1.246 0.916 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 176.367 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 120.544 0.211 . . . . 0.0 110.712 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.0 m -68.74 -62.71 1.27 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.722 -0.217 . . . . 0.0 110.44 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.7 t -178.75 -140.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' A' ' 5' ' ' LEU . 28.4 t70 -164.68 43.59 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.174 0.511 . . . . 0.0 109.679 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.4 ' HB3' ' O ' ' A' ' 4' ' ' ASP . 25.7 tp 69.28 -53.76 0.59 Allowed 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.173 -0.921 . . . . 0.0 112.9 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.525 ' O ' ' HB2' ' A' ' 7' ' ' SER . . . 65.22 -82.61 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.634 0 O-C-N 123.712 0.632 . . . . 0.0 110.437 -179.007 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.525 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 6.7 t 171.31 -112.37 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.778 0 O-C-N 124.008 0.818 . . . . 0.0 109.061 178.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.1 mt -104.32 39.49 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 122.307 1.051 . . . . 0.0 109.119 179.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.416 ' CE1' ' HB1' ' A' ' 6' ' ' ALA . 0.1 OUTLIER -163.73 35.26 0.09 Allowed 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.212 -1.358 . . . . 0.0 109.384 179.78 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -57.31 -24.05 52.5 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.775 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.6 m -63.5 -3.6 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.562 -0.745 . . . . 0.0 112.283 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.625 ' O ' ' HB2' ' A' ' 36' ' ' CYS . 46.0 p-10 -69.71 57.83 0.14 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.691 0.758 . . . . 0.0 111.91 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.572 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . 54.8 p-80 -159.52 -37.98 0.06 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.479 178.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.02 -42.85 36.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.736 0.303 . . . . 0.0 111.09 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -64.48 -50.26 68.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.51 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.493 ' SG ' ' HA ' ' A' ' 13' ' ' HIS . 2.4 p -64.34 -41.2 96.89 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.449 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.625 ' HA ' ' SG ' ' A' ' 38' ' ' CYS . . . -58.37 -30.49 66.82 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -179.135 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -48.32 -45.31 34.97 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 -64.98 -44.69 88.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.173 0.511 . . . . 0.0 110.816 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.625 ' HB3' ' O ' ' A' ' 39' ' ' ARG . 60.7 m -68.66 -53.67 21.01 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.761 -178.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 81.7 mt -53.36 -39.77 37.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 122.709 0.404 . . . . 0.0 111.162 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.62 -37.81 71.21 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.99 0.424 . . . . 0.0 110.805 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.6 mtp85 -83.9 24.59 0.89 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.241 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.8 mmt85 68.16 16.66 9.42 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.237 -0.892 . . . . 0.0 112.645 178.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.46 ' HB2' ' O ' ' A' ' 20' ' ' CYS . 19.2 m-85 -86.24 172.64 10.34 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 178.311 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.426 ' HB2' HH21 ' A' ' 39' ' ' ARG . 7.8 tpm_? -70.29 -36.4 74.33 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -179.147 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.83 -112.71 1.62 Allowed Glycine 0 N--CA 1.438 -1.229 0 CA-C-N 115.373 -0.831 . . . . 0.0 112.57 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -166.56 151.4 19.55 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.345 -179.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -137.15 144.13 42.8 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.572 ' SG ' ' HB3' ' A' ' 13' ' ' HIS . 9.4 m -77.06 124.52 27.91 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.652 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 50.8 p30 -78.77 -177.24 5.34 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.288 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.6 m -53.41 -30.96 42.88 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -179.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -85.53 18.58 2.71 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 120.872 0.368 . . . . 0.0 111.209 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 53.82 45.63 27.44 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 122.951 0.5 . . . . 0.0 112.25 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.442 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 95.5 t -127.97 137.32 57.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.625 ' HB2' ' O ' ' A' ' 12' ' ' ASN . 40.9 t -66.1 125.64 26.13 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 123.307 0.379 . . . . 0.0 111.199 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 27.3 t -112.44 71.92 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 108.272 -1.011 . . . . 0.0 108.272 178.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.625 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 2.0 t -68.1 127.0 31.3 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.375 -178.003 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.625 ' O ' ' HB3' ' A' ' 20' ' ' CYS . 8.5 mtm180 -87.29 111.54 21.15 Favored 'General case' 0 CA--C 1.508 -0.672 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 178.387 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.2 t30 . . . . . 0 C--N 1.304 -1.393 0 CA-C-O 118.977 -0.535 . . . . 0.0 110.224 -178.625 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.994 0 CA-C-O 120.898 0.38 . . . . 0.0 110.523 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.0 m -63.7 -34.77 78.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.153 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.6 m 58.2 42.55 21.85 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.214 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -74.8 144.94 43.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.012 0.434 . . . . 0.0 111.137 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.823 ' HB3' ' HE1' ' A' ' 9' ' ' PHE . 6.5 tt -117.34 -45.01 2.74 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.055 -179.099 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -148.07 18.67 1.11 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.377 -179.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 24.2 m 67.21 -39.83 0.38 Allowed 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 114.398 1.259 . . . . 0.0 114.398 177.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 59.7 mt -54.85 -66.82 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 111.365 0.135 . . . . 0.0 111.365 -178.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.823 ' HE1' ' HB3' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -83.95 -22.11 31.58 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.191 178.697 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 24.9 t30 57.0 17.66 3.5 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.637 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.72 ' H ' ' HD1' ' A' ' 9' ' ' PHE . 85.6 t 60.01 116.28 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.468 0 CA-C-N 115.397 -0.82 . . . . 0.0 112.152 -179.297 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.439 ' HB2' ' HB2' ' A' ' 15' ' ' LEU . 52.0 p-10 -74.04 39.99 0.12 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.405 178.692 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.799 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 36.9 p-80 -53.85 -30.06 43.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.496 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.59 -44.08 44.94 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.738 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.439 ' HB2' ' HB2' ' A' ' 12' ' ' ASN . 98.9 mt -69.41 -45.01 70.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.506 -179.27 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.473 ' SG ' ' HA ' ' A' ' 13' ' ' HIS . 30.2 p -63.56 -43.02 98.27 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.929 -179.165 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.595 ' HA ' ' SG ' ' A' ' 38' ' ' CYS . . . -65.41 -39.03 91.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.451 179.308 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.4 -34.2 66.51 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.856 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 30.4 t-80 -57.01 -46.76 82.09 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.87 178.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.664 ' SG ' ' HB2' ' A' ' 40' ' ' ASN . 57.5 m -71.1 -44.66 65.19 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.629 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.645 ' HA ' ' O ' ' A' ' 25' ' ' TYR . 75.4 mt -52.25 -38.54 25.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 179.237 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.18 -35.02 74.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.133 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.521 ' N ' ' HD2' ' A' ' 23' ' ' ARG . 5.7 mpt_? -90.6 27.03 1.83 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.065 0.459 . . . . 0.0 110.45 179.202 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 66.55 31.0 8.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.276 -0.875 . . . . 0.0 112.642 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.645 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 45.1 m-85 -103.04 163.81 11.99 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 177.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.33 -39.57 65.13 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.085 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.412 ' HA2' ' HB2' ' A' ' 20' ' ' CYS . . . 140.13 -118.51 1.46 Allowed Glycine 0 N--CA 1.44 -1.078 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.772 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.667 ' HA3' ' O ' ' A' ' 37' ' ' VAL . . . -144.83 -138.82 3.36 Favored Glycine 0 N--CA 1.443 -0.88 0 N-CA-C 111.46 -0.656 . . . . 0.0 111.46 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -175.48 134.8 0.31 Allowed 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.0 m -79.99 118.0 21.33 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 -81.15 -166.02 1.05 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.358 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.2 t -60.42 -40.02 89.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.725 0.298 . . . . 0.0 111.236 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -82.72 5.89 19.82 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 60.23 35.29 20.94 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.177 0.513 . . . . 0.0 111.174 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.9 t -78.56 145.16 10.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.038 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.799 ' SG ' ' HA ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -74.87 60.28 0.95 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.255 -179.083 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.667 ' O ' ' HA3' ' A' ' 28' ' ' GLY . 24.8 t -66.57 141.54 17.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 179.03 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.595 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 2.7 t -151.62 149.75 29.51 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 -178.595 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -76.22 -77.36 0.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.608 0.242 . . . . 0.0 111.096 -178.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.664 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . 6.3 t30 . . . . . 0 C--O 1.25 1.082 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.198 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.114 0 CA-C-O 121.039 0.447 . . . . 0.0 110.201 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.33 123.62 48.6 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.244 178.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 4' ' ' ASP . 7.5 t -79.33 46.31 0.72 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.439 0.638 . . . . 0.0 110.998 -179.375 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.658 ' HA ' ' O ' ' A' ' 34' ' ' ALA . 33.5 t70 172.36 142.01 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.506 -1.225 . . . . 0.0 107.727 179.294 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.677 HD23 ' H ' ' A' ' 5' ' ' LEU . 0.4 OUTLIER -50.36 111.32 0.51 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.494 0.664 . . . . 0.0 109.895 -179.618 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.609 ' HA ' ' HA ' ' A' ' 10' ' ' ASN . . . -76.94 45.0 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.994 -1.003 . . . . 0.0 113.668 -176.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.2 p -85.34 105.32 15.91 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.985 -0.286 . . . . 0.0 110.282 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 79.5 mt 68.92 -68.91 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 C-N-CA 123.281 0.632 . . . . 0.0 111.632 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.527 ' HB2' ' HB3' ' A' ' 12' ' ' ASN . 0.5 OUTLIER -87.84 53.74 2.87 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.357 0.598 . . . . 0.0 110.797 179.483 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.609 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 17.5 p-10 -51.75 -36.25 46.5 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 -179.111 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.9 t -73.4 -18.36 17.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -178.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.527 ' HB3' ' HB2' ' A' ' 9' ' ' PHE . 0.1 OUTLIER -49.81 -25.02 2.73 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 114.506 1.299 . . . . 0.0 114.506 -178.192 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.573 ' HB3' ' HB3' ' A' ' 4' ' ' ASP . 56.9 p-80 -56.29 -37.81 70.38 Favored 'General case' 0 C--N 1.315 -0.92 0 C-N-CA 120.562 -0.455 . . . . 0.0 111.351 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.57 -45.3 72.46 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.012 0.434 . . . . 0.0 110.397 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.5 mp -63.37 -41.2 98.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.645 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 23.9 t -55.34 -55.81 27.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.819 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.425 ' O ' HG13 ' A' ' 21' ' ' ILE . . . -67.72 -37.19 81.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.768 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.15 -46.07 65.29 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.163 0.289 . . . . 0.0 111.45 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -57.91 -41.64 83.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.777 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.956 ' HB2' ' HA2' ' A' ' 27' ' ' GLY . 1.8 m -72.98 -52.31 14.98 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.946 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.725 ' HA ' ' O ' ' A' ' 25' ' ' TYR . 81.5 mt -53.59 -42.21 49.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.484 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.96 -40.09 92.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.028 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -83.8 31.58 0.48 Allowed 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 65.65 49.42 1.77 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 122.678 0.391 . . . . 0.0 111.951 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.725 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 75.5 m-85 -140.03 165.76 26.49 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.7 0.762 . . . . 0.0 111.56 179.714 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -71.64 -39.7 70.22 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 114.383 -1.28 . . . . 0.0 109.189 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.956 ' HA2' ' HB2' ' A' ' 20' ' ' CYS . . . 110.4 -154.16 16.72 Favored Glycine 0 N--CA 1.439 -1.127 0 CA-C-N 114.755 -1.112 . . . . 0.0 112.334 179.196 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.508 ' CA ' ' HA ' ' A' ' 38' ' ' CYS . . . -106.22 123.65 7.51 Favored Glycine 0 N--CA 1.44 -1.069 0 C-N-CA 120.234 -0.984 . . . . 0.0 113.44 -179.221 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 20.8 p90 -97.32 134.92 39.97 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.474 ' HB2' ' HA ' ' A' ' 34' ' ' ALA . 1.7 p -77.13 118.33 19.55 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 120.841 0.353 . . . . 0.0 110.797 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 35.4 p-10 -79.18 -159.3 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.833 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.7 t -61.26 -39.92 92.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.647 0.26 . . . . 0.0 110.683 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -84.97 13.73 5.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.684 -0.234 . . . . 0.0 111.452 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.658 ' O ' ' HA ' ' A' ' 4' ' ' ASP . . . 55.59 39.51 30.97 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.234 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.0 t -93.4 128.85 44.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.5 t -73.48 80.51 1.44 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.848 0.356 . . . . 0.0 110.783 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.477 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 12.7 t -73.99 83.51 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 179.661 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.508 ' HA ' ' CA ' ' A' ' 28' ' ' GLY . 6.4 t -65.63 129.48 39.9 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 -177.632 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.436 ' HD2' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -82.72 134.23 35.14 Favored 'General case' 0 CA--C 1.508 -0.657 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 176.732 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 . . . . . 0 C--N 1.302 -1.466 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.634 -179.111 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.897 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.34 128.25 35.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.86 0.362 . . . . 0.0 110.1 179.365 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.482 ' HB2' ' HB2' ' A' ' 6' ' ' ALA . 94.2 m -81.85 59.17 4.15 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -178.696 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 51.85 -114.26 0.8 Allowed 'General case' 0 C--O 1.233 0.223 0 C-N-CA 122.959 0.504 . . . . 0.0 112.131 179.132 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 75.0 mt -80.91 35.14 0.36 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.421 -178.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.602 ' HA ' ' CE1' ' A' ' 9' ' ' PHE . . . -81.5 57.53 3.33 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.972 0.415 . . . . 0.0 110.416 179.148 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.3 p -78.0 -52.93 8.03 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.506 -179.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 58.5 mt -77.26 -46.04 28.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.988 0.423 . . . . 0.0 111.148 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.602 ' CE1' ' HA ' ' A' ' 6' ' ' ALA . 0.1 OUTLIER -102.92 47.44 0.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.441 -179.761 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -55.88 -33.04 64.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.174 0.512 . . . . 0.0 111.906 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.0 m -57.31 -17.34 6.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.623 ' HB2' ' HB2' ' A' ' 36' ' ' CYS . 47.4 p-10 -72.84 33.35 0.07 Allowed 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -179.472 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 5.4 p-80 -143.35 -36.53 0.37 Allowed 'General case' 0 C--N 1.32 -0.711 0 O-C-N 122.092 -0.38 . . . . 0.0 110.758 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -105.81 -59.77 1.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.595 179.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -65.93 -38.92 89.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.179 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.611 ' HB2' ' HA ' ' A' ' 12' ' ' ASN . 49.4 t -57.41 -55.19 37.95 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 179.101 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.614 ' O ' HG13 ' A' ' 21' ' ' ILE . . . -61.09 -43.49 98.81 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.555 178.623 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.58 -47.98 49.01 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -178.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -60.42 -40.64 91.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.4 0.619 . . . . 0.0 110.319 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.796 ' SG ' ' HB2' ' A' ' 40' ' ' ASN . 58.7 m -69.15 -42.86 75.39 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.985 -179.624 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.614 HG13 ' O ' ' A' ' 17' ' ' ALA . 61.2 mt -56.19 -39.69 60.77 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 178.032 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.82 -37.22 73.42 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.403 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -79.96 27.01 0.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.06 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 59.1 mtp85 63.92 39.45 8.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.207 0.527 . . . . 0.0 111.215 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.513 ' HB2' ' O ' ' A' ' 20' ' ' CYS . 45.6 m-85 -120.65 177.02 5.23 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.449 178.647 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.527 ' O ' HG12 ' A' ' 21' ' ' ILE . 23.6 mmt85 -80.34 -39.22 29.04 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.767 0.318 . . . . 0.0 110.262 -179.556 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 142.16 -136.53 7.32 Favored Glycine 0 N--CA 1.44 -1.041 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.311 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.466 ' HA2' ' HA ' ' A' ' 38' ' ' CYS . . . -145.66 141.55 9.86 Favored Glycine 0 N--CA 1.439 -1.139 0 C-N-CA 121.06 -0.591 . . . . 0.0 111.976 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -124.39 137.37 54.47 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.591 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 90.9 m -79.51 130.36 35.32 Favored 'General case' 0 C--N 1.316 -0.885 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.486 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -76.66 -162.48 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.686 -179.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.0 t -62.74 -39.62 94.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.607 0.241 . . . . 0.0 110.968 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -80.04 12.89 2.51 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 60.49 34.88 20.37 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 123.037 0.535 . . . . 0.0 112.158 179.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.591 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 53.5 t -101.31 132.63 46.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 178.575 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.623 ' HB2' ' HB2' ' A' ' 12' ' ' ASN . 42.4 t -67.73 100.38 0.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.024 0.44 . . . . 0.0 111.539 -178.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 25.6 t -85.84 76.95 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 177.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.466 ' HA ' ' HA2' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -76.9 139.71 40.3 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.616 -177.517 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.583 ' HD3' ' N ' ' A' ' 39' ' ' ARG . 0.3 OUTLIER -88.79 29.16 1.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.992 -179.645 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.796 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . 29.1 t30 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.431 -0.795 . . . . 0.0 111.217 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.932 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 28.2 m 74.59 -54.96 0.66 Allowed 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.284 0.634 . . . . 0.0 112.159 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.805 ' HB2' ' HB3' ' A' ' 13' ' ' HIS . 36.4 m 60.15 56.34 3.35 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.055 0.455 . . . . 0.0 110.41 -179.52 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.565 ' HA ' ' ND2' ' A' ' 10' ' ' ASN . 3.4 t70 -73.9 46.0 0.22 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.329 -178.583 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.5 HD13 HG22 ' A' ' 35' ' ' VAL . 60.2 tp -81.69 -94.05 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.143 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.511 ' HB3' ' HE1' ' A' ' 9' ' ' PHE . . . -78.44 79.14 4.89 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 178.054 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.4 m -41.65 -25.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 115.392 1.627 . . . . 0.0 115.392 -176.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 16.6 pt -51.98 -31.62 14.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-O 121.167 0.508 . . . . 0.0 110.944 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.511 ' HE1' ' HB3' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -152.18 6.29 0.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.521 179.01 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.565 ' ND2' ' HA ' ' A' ' 4' ' ' ASP . 4.1 m120 52.18 43.55 30.5 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.551 -179.016 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.612 ' C ' ' H ' ' A' ' 13' ' ' HIS . 4.2 p 50.11 20.77 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.605 1.162 . . . . 0.0 111.071 -178.264 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 68.4 -25.36 0.13 Allowed 'General case' 0 CA--C 1.526 0.029 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.506 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.805 ' HB3' ' HB2' ' A' ' 3' ' ' CYS . 56.8 p-80 42.03 39.15 1.24 Allowed 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 122.421 1.105 . . . . 0.0 110.503 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -157.58 -42.3 0.07 Allowed 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 113.203 -1.817 . . . . 0.0 107.873 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.2 tp -64.75 -41.12 96.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.217 -0.901 . . . . 0.0 108.866 178.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 9.2 t -57.78 -54.99 40.63 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.717 -1.129 . . . . 0.0 110.355 179.142 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.404 ' O ' HG12 ' A' ' 21' ' ' ILE . . . -67.33 -34.76 78.01 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.28 -46.11 54.9 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -57.1 -49.17 76.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.49 0.662 . . . . 0.0 109.986 179.221 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 1.057 ' HB2' ' HA2' ' A' ' 27' ' ' GLY . 0.2 OUTLIER -64.88 -47.56 77.39 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.055 -179.37 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 17' ' ' ALA . 33.7 mm -57.35 -36.13 51.59 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.336 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.36 -35.62 70.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.284 0.564 . . . . 0.0 110.666 179.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -109.7 40.43 1.89 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.666 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.3 mmt-85 74.63 -121.32 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.487 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 54.05 -148.0 0.48 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.338 0.59 . . . . 0.0 111.55 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.715 ' HB3' ' HE ' ' A' ' 39' ' ' ARG . 11.5 tpp85 -142.01 26.17 1.88 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.096 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 1.057 ' HA2' ' HB2' ' A' ' 20' ' ' CYS . . . 67.64 -138.5 33.78 Favored Glycine 0 N--CA 1.443 -0.883 0 CA-C-N 114.536 -1.211 . . . . 0.0 113.568 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.79 145.6 17.6 Favored Glycine 0 N--CA 1.434 -1.467 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 37.5 p90 -120.02 142.77 48.52 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 -179.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.412 ' HB3' ' HA ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -72.35 118.71 15.57 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.894 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 53.6 p30 -75.25 -159.85 0.11 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.973 0.416 . . . . 0.0 111.613 -178.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.9 m -64.04 -34.82 78.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.908 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -88.35 15.97 7.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.116 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 63.31 15.45 8.67 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.962 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.5 HG22 HD13 ' A' ' 5' ' ' LEU . 47.3 t -84.69 128.42 38.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 179.043 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.9 t -75.15 108.76 8.11 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.014 0.435 . . . . 0.0 110.02 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 31.4 t -93.39 100.09 10.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.078 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.42 ' SG ' ' HB3' ' A' ' 40' ' ' ASN . 25.6 t -74.54 131.95 41.42 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.116 0.484 . . . . 0.0 109.781 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.715 ' HE ' ' HB3' ' A' ' 26' ' ' ARG . 0.3 OUTLIER -84.87 15.23 4.09 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -178.397 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.42 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 52.2 p-10 . . . . . 0 C--N 1.305 -1.333 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.362 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.628 ' HB3' ' SG ' ' A' ' 3' ' ' CYS . . . . . . . . 0 N--CA 1.479 1.02 0 CA-C-O 120.938 0.399 . . . . 0.0 110.748 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.7 m -76.96 29.36 0.13 Allowed 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 121.769 0.795 . . . . 0.0 112.177 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.773 ' HA ' ' HB1' ' A' ' 34' ' ' ALA . 20.5 m -50.75 149.9 3.14 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 114.828 -1.078 . . . . 0.0 112.61 -179.418 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.405 ' OD1' ' HA ' ' A' ' 35' ' ' VAL . 13.8 m-20 57.31 41.17 27.01 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 114.463 -1.244 . . . . 0.0 111.923 179.336 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 23.8 tp 52.49 58.81 5.01 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.25 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.833 ' HB1' ' HA ' ' A' ' 10' ' ' ASN . . . -72.86 68.18 0.87 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.939 -178.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.9 p -73.48 -109.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.35 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.0 pt -67.68 -44.81 85.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.329 0.585 . . . . 0.0 110.09 179.133 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -90.1 53.04 2.4 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.774 178.409 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.833 ' HA ' ' HB1' ' A' ' 6' ' ' ALA . 20.9 t-20 -47.54 -34.09 7.22 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.099 -0.955 . . . . 0.0 112.191 -179.018 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.6 p -58.62 -14.98 4.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 113.178 0.806 . . . . 0.0 113.178 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 43.7 p-10 -70.06 50.12 0.11 Allowed 'General case' 0 N--CA 1.477 0.888 0 CA-C-O 121.618 0.723 . . . . 0.0 112.942 -179.39 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 27.3 p-80 -155.47 -33.73 0.09 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.088 178.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.34 -33.16 67.11 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.754 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 mp -58.78 -51.82 68.36 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.121 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 11.8 p -63.98 -51.47 64.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.67 0.271 . . . . 0.0 110.761 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.89 -47.43 82.82 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.51 -45.5 73.32 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.689 0.28 . . . . 0.0 111.337 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -57.92 -49.27 77.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.429 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.67 ' HB2' ' HA2' ' A' ' 27' ' ' GLY . 90.6 m -69.26 -48.07 62.82 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.991 -179.073 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.62 HG13 ' HA3' ' A' ' 27' ' ' GLY . 79.4 mt -52.52 -44.01 43.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 C-N-CA 122.557 0.343 . . . . 0.0 111.568 179.372 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.9 -43.14 72.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.053 -0.522 . . . . 0.0 112.053 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -81.88 47.42 1.1 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.468 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.5 ptt85 49.92 49.36 20.39 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.404 1.082 . . . . 0.0 113.041 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.483 ' HB3' ' HB2' ' A' ' 39' ' ' ARG . 60.8 m-85 -130.38 173.81 10.47 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.901 0.381 . . . . 0.0 110.336 178.251 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 55.9 mtp85 -81.81 -6.24 58.9 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.563 0.697 . . . . 0.0 109.22 178.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.733 ' O ' ' HA ' ' A' ' 38' ' ' CYS . . . 83.72 -57.69 5.04 Favored Glycine 0 C--O 1.216 -0.985 0 CA-C-N 114.753 -1.112 . . . . 0.0 112.734 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 166.7 139.73 2.73 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 119.604 -1.284 . . . . 0.0 112.878 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -103.19 137.73 40.94 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 178.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 33.2 m -93.35 113.17 25.28 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.9 p-10 -75.89 -155.93 0.06 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.267 -178.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.6 t -61.55 -47.84 83.7 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.193 0.521 . . . . 0.0 110.185 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.567 ' HB3' HG23 ' A' ' 35' ' ' VAL . 26.5 tptp -73.94 -2.5 24.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.134 179.273 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.773 ' HB1' ' HA ' ' A' ' 3' ' ' CYS . . . 62.8 30.16 16.69 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.039 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.567 HG23 ' HB3' ' A' ' 33' ' ' LYS . 73.5 t -70.63 137.98 22.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.042 179.714 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.6 t -74.9 79.24 2.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.171 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.0 t -75.5 68.89 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-O 121.605 0.717 . . . . 0.0 109.321 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.733 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 0.1 OUTLIER -52.08 130.99 31.46 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.336 -1.302 . . . . 0.0 113.191 -177.582 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.483 ' HB2' ' HB3' ' A' ' 25' ' ' TYR . 7.8 mmm180 -89.9 118.95 29.86 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 177.419 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.455 ' HA ' ' CE2' ' A' ' 25' ' ' TYR . 12.3 p-10 . . . . . 0 C--N 1.307 -1.243 0 CA-C-O 118.387 -0.816 . . . . 0.0 110.509 -178.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.964 0 CA-C-O 120.758 0.313 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.1 p -71.8 139.43 48.97 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.706 ' HB2' ' HB3' ' A' ' 13' ' ' HIS . 93.4 m -72.22 53.92 0.29 Allowed 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 121.047 0.451 . . . . 0.0 111.231 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.682 ' HA ' ' HB2' ' A' ' 10' ' ' ASN . 11.3 t70 -86.08 133.7 33.87 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.025 0.44 . . . . 0.0 111.436 -179.518 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.569 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 0.7 OUTLIER -167.62 -51.94 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 179.149 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.41 77.09 9.24 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.266 -1.334 . . . . 0.0 109.36 178.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.412 ' O ' ' HB ' ' A' ' 8' ' ' ILE . 45.2 m -27.27 129.02 0.05 Allowed 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 114.263 1.208 . . . . 0.0 114.263 -178.026 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.412 ' HB ' ' O ' ' A' ' 7' ' ' SER . 4.1 mp 76.31 -65.7 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-N 114.294 -1.321 . . . . 0.0 111.306 -179.681 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -92.1 41.29 1.07 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.573 0.701 . . . . 0.0 109.7 178.191 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.682 ' HB2' ' HA ' ' A' ' 4' ' ' ASP . 39.5 p-10 -62.97 156.0 25.8 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.541 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.645 HG11 ' HB2' ' A' ' 36' ' ' CYS . 44.0 t -49.64 113.52 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 O-C-N 123.769 0.668 . . . . 0.0 110.262 -179.237 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.657 ' ND2' ' HB3' ' A' ' 15' ' ' LEU . 23.9 p30 -53.42 -13.96 0.69 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.234 -1.348 . . . . 0.0 112.329 -179.469 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.706 ' HB3' ' HB2' ' A' ' 3' ' ' CYS . 52.4 p-80 37.24 37.87 0.1 Allowed 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.478 1.111 . . . . 0.0 113.843 176.258 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -156.0 -41.58 0.08 Allowed 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.657 ' HB3' ' ND2' ' A' ' 12' ' ' ASN . 8.8 tt -70.65 -40.44 73.03 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 178.467 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.2 p -59.39 -50.82 72.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.028 178.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.482 ' HB2' ' H ' ' A' ' 28' ' ' GLY . . . -63.49 -35.01 79.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.267 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.17 -44.16 61.45 Favored 'General case' 0 N--CA 1.464 0.27 0 O-C-N 123.259 0.35 . . . . 0.0 111.701 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.2 t-80 -57.47 -44.44 84.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.447 0.642 . . . . 0.0 110.134 179.13 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.771 ' HB2' ' HA2' ' A' ' 27' ' ' GLY . 72.5 m -70.42 -49.83 44.82 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.79 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.577 ' HA ' ' O ' ' A' ' 25' ' ' TYR . 88.6 mt -52.24 -41.21 33.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 C-N-CA 122.596 0.358 . . . . 0.0 110.914 179.119 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.72 -41.69 82.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.191 0.519 . . . . 0.0 110.643 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 71.4 mtp180 -86.43 22.14 1.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.702 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 62.1 mmt-85 68.5 47.02 0.95 Allowed 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.041 0.536 . . . . 0.0 112.406 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.577 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 85.9 m-85 -124.54 159.65 30.14 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.97 178.496 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.457 ' HB3' ' HD2' ' A' ' 39' ' ' ARG . 19.0 tpp180 -67.98 -31.8 71.76 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.771 ' HA2' ' HB2' ' A' ' 20' ' ' CYS . . . 104.23 -143.3 15.67 Favored Glycine 0 N--CA 1.439 -1.102 0 CA-C-N 115.112 -0.949 . . . . 0.0 113.159 178.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.617 ' HA2' ' O ' ' A' ' 37' ' ' VAL . . . -106.63 161.58 13.96 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.725 -0.75 . . . . 0.0 114.678 -178.129 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 42.4 p90 -141.51 139.44 33.27 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.267 -0.967 . . . . 0.0 108.414 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.8 m -71.57 121.06 18.07 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.61 0.243 . . . . 0.0 110.856 -178.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.479 HD21 ' HB ' ' A' ' 35' ' ' VAL . 37.4 p30 -88.05 -155.17 0.3 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.126 179.115 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.2 t -66.49 -39.15 88.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.839 0.352 . . . . 0.0 110.777 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.424 ' HD2' ' N ' ' A' ' 33' ' ' LYS . 10.5 mptt -85.45 11.49 10.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.606 0.241 . . . . 0.0 110.464 179.617 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.569 ' HB3' ' HB2' ' A' ' 5' ' ' LEU . . . 61.65 25.84 15.65 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.033 -179.193 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.479 ' HB ' HD21 ' A' ' 31' ' ' ASN . 97.5 t -84.08 135.35 24.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.966 179.238 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.645 ' HB2' HG11 ' A' ' 11' ' ' VAL . 52.8 t -77.05 83.13 3.56 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.698 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.617 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 41.4 t -71.33 100.39 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 179.371 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.472 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 1.3 t -86.74 125.9 34.21 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.901 -177.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.457 ' HD2' ' HB3' ' A' ' 26' ' ' ARG . 61.4 mtt-85 -73.19 121.48 20.36 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 178.704 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 . . . . . 0 C--N 1.307 -1.241 0 CA-C-O 117.754 -1.117 . . . . 0.0 109.464 -178.929 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.97 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.577 ' HB ' ' HB2' ' A' ' 10' ' ' ASN . 18.8 p -63.02 -48.09 80.25 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.904 -179.399 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.628 ' HB3' ' HB3' ' A' ' 6' ' ' ALA . 19.8 t -173.36 42.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 29.7 t70 72.09 -47.48 0.66 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.921 0.888 . . . . 0.0 110.882 -179.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 50.8 tp -167.72 88.29 0.27 Allowed 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.945 -1.025 . . . . 0.0 108.917 178.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.628 ' HB3' ' HB3' ' A' ' 3' ' ' CYS . . . -162.97 88.39 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.942 -178.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.3 m -89.47 -51.75 5.38 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 111.735 0.272 . . . . 0.0 111.735 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.44 HG13 ' CD2' ' A' ' 9' ' ' PHE . 30.8 pt -76.59 5.28 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 112.697 0.628 . . . . 0.0 112.697 -179.056 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.575 ' HD1' ' HB1' ' A' ' 6' ' ' ALA . 0.1 OUTLIER -163.66 56.34 0.17 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.103 0.478 . . . . 0.0 110.926 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.577 ' HB2' ' HB ' ' A' ' 2' ' ' THR . 14.2 p-10 -81.35 6.11 15.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.732 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.2 t -59.66 -42.96 90.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-O 121.375 0.607 . . . . 0.0 110.536 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.455 ' O ' ' HB3' ' A' ' 13' ' ' HIS . 17.3 p30 -57.99 131.98 52.06 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.653 178.635 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.508 ' HA ' ' SG ' ' A' ' 16' ' ' CYS . 1.9 p-80 108.26 -26.04 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.782 1.633 . . . . 0.0 109.193 -177.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.0 -46.35 9.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.314 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.1 tt -61.96 -50.74 70.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.38 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.508 ' SG ' ' HA ' ' A' ' 13' ' ' HIS . 5.0 p -63.39 -38.79 92.52 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.989 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.52 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . . . -54.27 -35.45 62.56 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.339 -179.635 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.09 -44.25 61.22 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 123.216 0.322 . . . . 0.0 111.512 -179.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 65.8 t-80 -66.06 -41.9 90.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.649 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.681 ' HB2' ' HA2' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -69.85 -43.59 71.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.524 179.831 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.8 mm -58.44 -41.28 81.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 C-N-CA 122.823 0.449 . . . . 0.0 110.21 178.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.79 -33.05 72.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.941 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.5 mmt-85 -84.41 21.04 1.52 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.997 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 64.95 41.99 4.49 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 123.316 0.647 . . . . 0.0 112.328 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -119.8 -166.61 1.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.796 0.332 . . . . 0.0 110.77 178.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 91.7 mtm180 -104.73 28.81 6.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.377 0.608 . . . . 0.0 110.95 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.681 ' HA2' ' HB2' ' A' ' 20' ' ' CYS . . . 69.01 -140.89 35.06 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.37 -0.832 . . . . 0.0 113.856 179.043 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.88 138.55 10.01 Favored Glycine 0 N--CA 1.441 -1.008 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.03 -178.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 50.4 p90 -118.81 144.13 46.51 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.544 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 56.9 m -76.92 119.96 21.39 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.728 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.515 ' ND2' ' HE2' ' A' ' 33' ' ' LYS . 50.2 p-10 -75.05 -176.96 3.17 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 178.391 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.9 t -56.84 -29.91 63.29 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.499 0.19 . . . . 0.0 111.235 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.515 ' HE2' ' ND2' ' A' ' 31' ' ' ASN . 4.2 mppt? -76.84 16.9 0.47 Allowed 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 50.95 47.17 25.27 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.284 0.633 . . . . 0.0 112.699 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.544 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 4.7 p -139.19 143.23 31.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.946 -0.391 . . . . 0.0 109.946 179.448 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.8 t -67.03 132.7 48.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.094 -0.503 . . . . 0.0 112.132 -178.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 62.0 t -113.0 84.76 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.532 178.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 13.0 t -65.2 126.58 28.59 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.87 -0.29 50.65 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.497 -178.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.647 ' HB3' ' HA ' ' A' ' 20' ' ' CYS . 51.6 p-10 . . . . . 0 C--O 1.246 0.886 0 CA-C-O 118.31 -0.852 . . . . 0.0 112.482 -178.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 1.011 ' HB1' ' HA ' ' A' ' 36' ' ' CYS . . . . . . . . 0 N--CA 1.48 1.04 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.744 ' HB ' ' HB3' ' A' ' 13' ' ' HIS . 1.9 m 51.56 22.62 1.6 Allowed 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.552 0.691 . . . . 0.0 111.953 178.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.0 p -76.98 41.49 0.28 Allowed 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.856 -177.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.572 ' HB2' ' CB ' ' A' ' 34' ' ' ALA . 73.9 m-20 -128.72 -70.57 0.67 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.287 0.565 . . . . 0.0 109.853 179.071 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.9 tt -170.84 139.47 1.48 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.42 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.926 ' HB3' ' HA ' ' A' ' 10' ' ' ASN . . . -147.19 30.59 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.109 0.48 . . . . 0.0 110.64 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.6 t 52.01 -137.61 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.333 179.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 36.7 pt -65.85 -31.46 53.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -179.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -91.57 33.79 1.0 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.788 0.328 . . . . 0.0 111.45 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.926 ' HA ' ' HB3' ' A' ' 6' ' ' ALA . 12.2 t-20 -56.63 -32.8 65.67 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.222 0.534 . . . . 0.0 110.611 179.115 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.2 m -55.62 -11.51 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 48.1 p-10 -76.81 42.07 0.29 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -179.274 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.744 ' HB3' ' HB ' ' A' ' 2' ' ' THR . 4.9 p-80 -150.41 -40.59 0.13 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.716 177.555 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.36 -50.79 58.31 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 178.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -72.31 -38.61 68.66 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.861 178.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.447 ' HB3' ' HA ' ' A' ' 13' ' ' HIS . 52.4 t -56.67 -58.45 8.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.221 -0.899 . . . . 0.0 111.06 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.404 ' O ' HG13 ' A' ' 21' ' ' ILE . . . -61.96 -41.2 97.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.497 0.189 . . . . 0.0 111.394 179.749 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.89 -42.27 79.56 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.985 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -38.73 92.34 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.107 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.763 ' HB2' ' HA2' ' A' ' 27' ' ' GLY . 13.9 m -65.35 -52.26 55.01 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 178.732 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.675 ' HA ' ' O ' ' A' ' 25' ' ' TYR . 73.2 mt -54.76 -35.89 34.82 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.064 178.709 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.3 -37.35 74.87 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 121.134 0.493 . . . . 0.0 110.827 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -85.49 25.62 1.02 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.473 178.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 65.21 23.24 12.24 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.43 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.675 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 23.0 m-85 -97.24 165.06 12.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.988 0.423 . . . . 0.0 110.618 178.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 57.3 mtp85 -69.78 -44.37 70.23 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.841 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.763 ' HA2' ' HB2' ' A' ' 20' ' ' CYS . . . 131.31 -123.69 3.85 Favored Glycine 0 N--CA 1.436 -1.349 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.628 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -157.14 130.35 2.62 Favored Glycine 0 N--CA 1.433 -1.511 0 N-CA-C 111.086 -0.805 . . . . 0.0 111.086 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -92.83 145.79 24.13 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.45 121.82 22.06 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.283 -179.596 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.51 ' HB3' HG21 ' A' ' 37' ' ' VAL . 18.4 p-10 -85.79 -178.77 6.69 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 178.268 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.1 m -57.08 -33.66 67.5 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 111.979 0.362 . . . . 0.0 111.979 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -86.08 8.3 21.31 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.572 ' CB ' ' HB2' ' A' ' 4' ' ' ASP . . . 56.29 46.36 21.28 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 179.213 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.9 t -110.0 148.69 13.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 1.011 ' HA ' ' HB1' ' A' ' 1' ' ' ALA . 35.2 t -73.71 83.69 1.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.046 0.45 . . . . 0.0 110.38 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.547 HG12 HH21 ' A' ' 39' ' ' ARG . 8.6 t -78.66 57.51 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.479 0.657 . . . . 0.0 110.023 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.468 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 11.2 t -61.34 139.22 58.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.735 -179.608 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.547 HH21 HG12 ' A' ' 37' ' ' VAL . 2.7 mmp_? -63.73 -56.13 17.94 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.416 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 . . . . . 0 C--O 1.248 1.016 0 O-C-N 124.419 1.074 . . . . 0.0 113.355 176.774 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.422 ' HA ' ' CE1' ' A' ' 13' ' ' HIS . 2.0 m 60.25 21.14 10.56 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 121.731 0.776 . . . . 0.0 110.983 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.517 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 67.3 m -56.16 122.71 12.36 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.911 -1.041 . . . . 0.0 112.456 -178.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.2 t0 59.66 104.91 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.379 0.672 . . . . 0.0 111.659 179.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 pp -89.21 -173.74 4.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.172 0.51 . . . . 0.0 111.739 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.444 ' O ' ' HB2' ' A' ' 7' ' ' SER . . . -166.02 -82.28 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.903 179.419 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.444 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 22.7 t 170.65 -104.07 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.95 -1.023 . . . . 0.0 108.633 178.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 23.2 pt -67.78 -42.26 85.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.975 0.417 . . . . 0.0 110.626 179.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.409 ' CE1' ' HB1' ' A' ' 6' ' ' ALA . 0.3 OUTLIER -95.83 50.47 1.2 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.484 0.659 . . . . 0.0 110.334 178.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -68.74 -14.16 62.84 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.995 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.7 m -65.55 10.92 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -179.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -77.0 50.61 0.74 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.503 0.668 . . . . 0.0 111.34 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.422 ' CE1' ' HA ' ' A' ' 2' ' ' THR . 32.7 p80 -178.48 -30.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.631 178.683 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.36 -34.35 55.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.246 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.4 tt -64.57 -52.47 57.44 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.192 -179.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.4 p -56.69 -47.94 78.77 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.644 0.259 . . . . 0.0 110.644 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.462 ' O ' HG13 ' A' ' 21' ' ' ILE . . . -59.48 -42.75 92.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.126 179.291 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.99 -43.0 86.35 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.925 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 31.6 t-80 -58.32 -44.84 88.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.654 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.569 ' HB2' ' HA2' ' A' ' 27' ' ' GLY . 68.6 m -65.13 -48.2 74.45 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.448 179.443 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.679 ' HA ' ' O ' ' A' ' 25' ' ' TYR . 84.1 mt -51.75 -39.77 25.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-O 120.943 0.401 . . . . 0.0 110.807 178.746 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.97 -37.23 79.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.04 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.0 mmt-85 -86.64 23.5 1.65 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.337 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.7 mtm-85 66.85 27.09 9.17 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.095 0.558 . . . . 0.0 111.33 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.679 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 8.7 m-85 -103.12 159.28 15.66 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.694 178.664 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.3 tpt180 -68.12 -40.25 82.55 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.987 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.569 ' HA2' ' HB2' ' A' ' 20' ' ' CYS . . . 140.4 -132.24 5.39 Favored Glycine 0 N--CA 1.438 -1.168 0 C-N-CA 120.499 -0.858 . . . . 0.0 111.993 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.421 ' HA2' ' HA ' ' A' ' 38' ' ' CYS . . . -138.19 159.69 25.23 Favored Glycine 0 N--CA 1.439 -1.13 0 N-CA-C 111.714 -0.555 . . . . 0.0 111.714 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 35.2 p90 -136.92 143.9 43.17 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.517 ' HB3' ' HB3' ' A' ' 3' ' ' CYS . 0.8 OUTLIER -78.81 122.41 26.02 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.024 0.44 . . . . 0.0 110.692 -179.784 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.498 ' HB3' HG21 ' A' ' 37' ' ' VAL . 23.9 p-10 -80.06 -157.27 0.14 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.134 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.2 t -63.23 -35.71 81.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.898 0.38 . . . . 0.0 110.551 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -88.63 14.16 10.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.528 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.482 ' HA ' ' HB2' ' A' ' 30' ' ' CYS . . . 57.19 26.35 12.08 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.013 -0.539 . . . . 0.0 112.02 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.469 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 70.5 t -86.17 139.95 16.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.273 -0.421 . . . . 0.0 109.875 179.306 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.4 t -70.87 85.35 0.68 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.967 0.413 . . . . 0.0 110.13 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.498 HG21 ' HB3' ' A' ' 31' ' ' ASN . 28.0 t -77.97 77.74 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.177 0.513 . . . . 0.0 109.651 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.421 ' HA ' ' HA2' ' A' ' 28' ' ' GLY . 0.5 OUTLIER -73.61 133.1 43.42 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.482 -179.265 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.662 ' HB2' ' HD2' ' A' ' 25' ' ' TYR . 74.4 mtt-85 -60.55 -56.0 26.61 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 . . . . . 0 C--O 1.246 0.916 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 176.367 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.0 m . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.551 0.215 . . . . 0.0 110.44 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.7 t -178.75 -140.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' A' ' 5' ' ' LEU . 28.4 t70 -164.68 43.59 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.174 0.511 . . . . 0.0 109.679 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.4 ' HB3' ' O ' ' A' ' 4' ' ' ASP . 25.7 tp 69.28 -53.76 0.59 Allowed 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.173 -0.921 . . . . 0.0 112.9 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.525 ' O ' ' HB2' ' A' ' 7' ' ' SER . . . 65.22 -82.61 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.634 0 O-C-N 123.712 0.632 . . . . 0.0 110.437 -179.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.525 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 6.7 t 171.31 -112.37 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.778 0 O-C-N 124.008 0.818 . . . . 0.0 109.061 178.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.1 mt -104.32 39.49 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 122.307 1.051 . . . . 0.0 109.119 179.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.416 ' CE1' ' HB1' ' A' ' 6' ' ' ALA . 0.1 OUTLIER -163.73 35.26 0.09 Allowed 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.212 -1.358 . . . . 0.0 109.384 179.78 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -57.31 -24.05 52.5 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.775 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.6 m -63.5 -3.6 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.562 -0.745 . . . . 0.0 112.283 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.625 ' O ' ' HB2' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -69.71 57.83 0.14 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.691 0.758 . . . . 0.0 111.91 179.656 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.572 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . 54.8 p-80 -159.52 -37.98 0.06 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.479 178.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.02 -42.85 36.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.736 0.303 . . . . 0.0 111.09 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -64.48 -50.26 68.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.51 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.493 ' SG ' ' HA ' ' A' ' 13' ' ' HIS . 2.4 p -64.34 -41.2 96.89 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.449 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.625 ' HA ' ' SG ' ' A' ' 38' ' ' CYS . . . -58.37 -30.49 66.82 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -179.135 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -48.32 -45.31 34.97 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 -64.98 -44.69 88.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.173 0.511 . . . . 0.0 110.816 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.625 ' HB3' ' O ' ' A' ' 39' ' ' ARG . 60.7 m -68.66 -53.67 21.01 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.761 -178.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 81.7 mt -53.36 -39.77 37.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 122.709 0.404 . . . . 0.0 111.162 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.62 -37.81 71.21 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.99 0.424 . . . . 0.0 110.805 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.6 mtp85 -83.9 24.59 0.89 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.241 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.8 mmt85 68.16 16.66 9.42 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.237 -0.892 . . . . 0.0 112.645 178.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.46 ' HB2' ' O ' ' A' ' 20' ' ' CYS . 19.2 m-85 -86.24 172.64 10.34 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 178.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.426 ' HB2' HH21 ' A' ' 39' ' ' ARG . 7.8 tpm_? -70.29 -36.4 74.33 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -179.147 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.83 -112.71 1.62 Allowed Glycine 0 N--CA 1.438 -1.229 0 CA-C-N 115.373 -0.831 . . . . 0.0 112.57 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -166.56 151.4 19.55 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.345 -179.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -137.15 144.13 42.8 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.572 ' SG ' ' HB3' ' A' ' 13' ' ' HIS . 9.4 m -77.06 124.52 27.91 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.414 HD22 ' C ' ' A' ' 31' ' ' ASN . 0.1 OUTLIER -78.77 -177.24 5.34 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.288 179.767 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.6 m -53.41 -30.96 42.88 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -179.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -85.53 18.58 2.71 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 120.872 0.368 . . . . 0.0 111.209 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 53.82 45.63 27.44 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 122.951 0.5 . . . . 0.0 112.25 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.442 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 95.5 t -127.97 137.32 57.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.625 ' HB2' ' O ' ' A' ' 12' ' ' ASN . 40.9 t -66.1 125.64 26.13 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 123.307 0.379 . . . . 0.0 111.199 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 27.3 t -112.44 71.92 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 108.272 -1.011 . . . . 0.0 108.272 178.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.625 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 2.0 t -68.1 127.0 31.3 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.375 -178.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.625 ' O ' ' HB3' ' A' ' 20' ' ' CYS . 8.5 mtm180 -87.29 111.54 21.15 Favored 'General case' 0 CA--C 1.508 -0.672 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 178.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.2 t30 . . . . . 0 C--N 1.304 -1.393 0 CA-C-O 118.977 -0.535 . . . . 0.0 110.224 -178.625 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.456 -0.173 0 CA-C-O 120.886 0.374 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.6 m 58.2 42.55 21.85 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.214 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -74.8 144.94 43.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.012 0.434 . . . . 0.0 111.137 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.823 ' HB3' ' HE1' ' A' ' 9' ' ' PHE . 6.5 tt -117.34 -45.01 2.74 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.055 -179.099 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -148.07 18.67 1.11 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.377 -179.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 24.2 m 67.21 -39.83 0.38 Allowed 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 114.398 1.259 . . . . 0.0 114.398 177.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 59.7 mt -54.85 -66.82 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 111.365 0.135 . . . . 0.0 111.365 -178.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.823 ' HE1' ' HB3' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -83.95 -22.11 31.58 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.191 178.697 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 24.9 t30 57.0 17.66 3.5 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.637 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.72 ' H ' ' HD1' ' A' ' 9' ' ' PHE . 85.6 t 60.01 116.28 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.468 0 CA-C-N 115.397 -0.82 . . . . 0.0 112.152 -179.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.469 HD22 ' N ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -74.04 39.99 0.12 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.405 178.692 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.799 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 36.9 p-80 -53.85 -30.06 43.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.496 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.59 -44.08 44.94 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.738 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.439 ' HB2' ' HB2' ' A' ' 12' ' ' ASN . 98.9 mt -69.41 -45.01 70.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.506 -179.27 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.473 ' SG ' ' HA ' ' A' ' 13' ' ' HIS . 30.2 p -63.56 -43.02 98.27 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.929 -179.165 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.595 ' HA ' ' SG ' ' A' ' 38' ' ' CYS . . . -65.41 -39.03 91.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.451 179.308 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.4 -34.2 66.51 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.856 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 30.4 t-80 -57.01 -46.76 82.09 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.87 178.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.664 ' SG ' ' HB2' ' A' ' 40' ' ' ASN . 57.5 m -71.1 -44.66 65.19 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.629 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.645 ' HA ' ' O ' ' A' ' 25' ' ' TYR . 75.4 mt -52.25 -38.54 25.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 179.237 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.18 -35.02 74.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.133 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.521 ' N ' ' HD2' ' A' ' 23' ' ' ARG . 5.7 mpt_? -90.6 27.03 1.83 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.065 0.459 . . . . 0.0 110.45 179.202 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 66.55 31.0 8.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.276 -0.875 . . . . 0.0 112.642 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.645 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 45.1 m-85 -103.04 163.81 11.99 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 177.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.33 -39.57 65.13 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.085 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.412 ' HA2' ' HB2' ' A' ' 20' ' ' CYS . . . 140.13 -118.51 1.46 Allowed Glycine 0 N--CA 1.44 -1.078 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.772 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.667 ' HA3' ' O ' ' A' ' 37' ' ' VAL . . . -144.83 -138.82 3.36 Favored Glycine 0 N--CA 1.443 -0.88 0 N-CA-C 111.46 -0.656 . . . . 0.0 111.46 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -175.48 134.8 0.31 Allowed 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.0 m -79.99 118.0 21.33 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 -81.15 -166.02 1.05 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.358 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.2 t -60.42 -40.02 89.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.725 0.298 . . . . 0.0 111.236 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -82.72 5.89 19.82 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 60.23 35.29 20.94 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.177 0.513 . . . . 0.0 111.174 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.9 t -78.56 145.16 10.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.038 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.799 ' SG ' ' HA ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -74.87 60.28 0.95 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.255 -179.083 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.667 ' O ' ' HA3' ' A' ' 28' ' ' GLY . 24.8 t -66.57 141.54 17.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 179.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.595 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 2.7 t -151.62 149.75 29.51 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 -178.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -76.22 -77.36 0.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.608 0.242 . . . . 0.0 111.096 -178.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.664 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . 6.3 t30 . . . . . 0 C--O 1.25 1.082 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.198 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.449 -0.514 0 CA-C-O 120.724 0.297 . . . . 0.0 110.244 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 4' ' ' ASP . 7.5 t -79.33 46.31 0.72 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.439 0.638 . . . . 0.0 110.998 -179.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.658 ' HA ' ' O ' ' A' ' 34' ' ' ALA . 33.5 t70 172.36 142.01 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.506 -1.225 . . . . 0.0 107.727 179.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.677 HD23 ' H ' ' A' ' 5' ' ' LEU . 0.4 OUTLIER -50.36 111.32 0.51 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.494 0.664 . . . . 0.0 109.895 -179.618 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.609 ' HA ' ' HA ' ' A' ' 10' ' ' ASN . . . -76.94 45.0 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.994 -1.003 . . . . 0.0 113.668 -176.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.2 p -85.34 105.32 15.91 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.985 -0.286 . . . . 0.0 110.282 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 79.5 mt 68.92 -68.91 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 C-N-CA 123.281 0.632 . . . . 0.0 111.632 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.527 ' HB2' ' HB3' ' A' ' 12' ' ' ASN . 0.5 OUTLIER -87.84 53.74 2.87 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.357 0.598 . . . . 0.0 110.797 179.483 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.609 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 17.5 p-10 -51.75 -36.25 46.5 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 -179.111 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.9 t -73.4 -18.36 17.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -178.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.527 ' HB3' ' HB2' ' A' ' 9' ' ' PHE . 0.1 OUTLIER -49.81 -25.02 2.73 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 114.506 1.299 . . . . 0.0 114.506 -178.192 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.573 ' HB3' ' HB3' ' A' ' 4' ' ' ASP . 56.9 p-80 -56.29 -37.81 70.38 Favored 'General case' 0 C--N 1.315 -0.92 0 C-N-CA 120.562 -0.455 . . . . 0.0 111.351 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.57 -45.3 72.46 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.012 0.434 . . . . 0.0 110.397 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.5 mp -63.37 -41.2 98.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.645 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 23.9 t -55.34 -55.81 27.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.819 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.425 ' O ' HG13 ' A' ' 21' ' ' ILE . . . -67.72 -37.19 81.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.768 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.15 -46.07 65.29 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.163 0.289 . . . . 0.0 111.45 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -57.91 -41.64 83.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.777 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.956 ' HB2' ' HA2' ' A' ' 27' ' ' GLY . 1.8 m -72.98 -52.31 14.98 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.946 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.725 ' HA ' ' O ' ' A' ' 25' ' ' TYR . 81.5 mt -53.59 -42.21 49.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.484 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.96 -40.09 92.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.028 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -83.8 31.58 0.48 Allowed 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 65.65 49.42 1.77 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 122.678 0.391 . . . . 0.0 111.951 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.725 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 75.5 m-85 -140.03 165.76 26.49 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.7 0.762 . . . . 0.0 111.56 179.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -71.64 -39.7 70.22 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 114.383 -1.28 . . . . 0.0 109.189 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.956 ' HA2' ' HB2' ' A' ' 20' ' ' CYS . . . 110.4 -154.16 16.72 Favored Glycine 0 N--CA 1.439 -1.127 0 CA-C-N 114.755 -1.112 . . . . 0.0 112.334 179.196 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.508 ' CA ' ' HA ' ' A' ' 38' ' ' CYS . . . -106.22 123.65 7.51 Favored Glycine 0 N--CA 1.44 -1.069 0 C-N-CA 120.234 -0.984 . . . . 0.0 113.44 -179.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 20.8 p90 -97.32 134.92 39.97 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.474 ' HB2' ' HA ' ' A' ' 34' ' ' ALA . 1.7 p -77.13 118.33 19.55 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 120.841 0.353 . . . . 0.0 110.797 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 35.4 p-10 -79.18 -159.3 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.833 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.7 t -61.26 -39.92 92.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.647 0.26 . . . . 0.0 110.683 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -84.97 13.73 5.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.684 -0.234 . . . . 0.0 111.452 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.658 ' O ' ' HA ' ' A' ' 4' ' ' ASP . . . 55.59 39.51 30.97 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.234 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.0 t -93.4 128.85 44.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.5 t -73.48 80.51 1.44 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.848 0.356 . . . . 0.0 110.783 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.477 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 12.7 t -73.99 83.51 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 179.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.508 ' HA ' ' CA ' ' A' ' 28' ' ' GLY . 6.4 t -65.63 129.48 39.9 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 -177.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.436 ' HD2' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -82.72 134.23 35.14 Favored 'General case' 0 CA--C 1.508 -0.657 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 176.732 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 . . . . . 0 C--N 1.302 -1.466 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.634 -179.111 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.451 -0.39 0 CA-C-O 120.86 0.362 . . . . 0.0 110.1 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.482 ' HB2' ' HB2' ' A' ' 6' ' ' ALA . 94.2 m -81.85 59.17 4.15 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -178.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 51.85 -114.26 0.8 Allowed 'General case' 0 C--O 1.233 0.223 0 C-N-CA 122.959 0.504 . . . . 0.0 112.131 179.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 75.0 mt -80.91 35.14 0.36 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.421 -178.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.602 ' HA ' ' CE1' ' A' ' 9' ' ' PHE . . . -81.5 57.53 3.33 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.972 0.415 . . . . 0.0 110.416 179.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.3 p -78.0 -52.93 8.03 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.506 -179.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 58.5 mt -77.26 -46.04 28.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.988 0.423 . . . . 0.0 111.148 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.602 ' CE1' ' HA ' ' A' ' 6' ' ' ALA . 0.1 OUTLIER -102.92 47.44 0.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.441 -179.761 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -55.88 -33.04 64.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.174 0.512 . . . . 0.0 111.906 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.0 m -57.31 -17.34 6.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.623 ' HB2' ' HB2' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -72.84 33.35 0.07 Allowed 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -179.472 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 5.4 p-80 -143.35 -36.53 0.37 Allowed 'General case' 0 C--N 1.32 -0.711 0 O-C-N 122.092 -0.38 . . . . 0.0 110.758 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -105.81 -59.77 1.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.595 179.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -65.93 -38.92 89.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.179 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.611 ' HB2' ' HA ' ' A' ' 12' ' ' ASN . 49.4 t -57.41 -55.19 37.95 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 179.101 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.614 ' O ' HG13 ' A' ' 21' ' ' ILE . . . -61.09 -43.49 98.81 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.555 178.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.58 -47.98 49.01 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -178.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -60.42 -40.64 91.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.4 0.619 . . . . 0.0 110.319 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.796 ' SG ' ' HB2' ' A' ' 40' ' ' ASN . 58.7 m -69.15 -42.86 75.39 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.985 -179.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.614 HG13 ' O ' ' A' ' 17' ' ' ALA . 61.2 mt -56.19 -39.69 60.77 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 178.032 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.82 -37.22 73.42 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.403 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -79.96 27.01 0.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.06 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 59.1 mtp85 63.92 39.45 8.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.207 0.527 . . . . 0.0 111.215 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.513 ' HB2' ' O ' ' A' ' 20' ' ' CYS . 45.6 m-85 -120.65 177.02 5.23 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.449 178.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.527 ' O ' HG12 ' A' ' 21' ' ' ILE . 23.6 mmt85 -80.34 -39.22 29.04 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.767 0.318 . . . . 0.0 110.262 -179.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 142.16 -136.53 7.32 Favored Glycine 0 N--CA 1.44 -1.041 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.311 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.466 ' HA2' ' HA ' ' A' ' 38' ' ' CYS . . . -145.66 141.55 9.86 Favored Glycine 0 N--CA 1.439 -1.139 0 C-N-CA 121.06 -0.591 . . . . 0.0 111.976 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -124.39 137.37 54.47 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.591 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 90.9 m -79.51 130.36 35.32 Favored 'General case' 0 C--N 1.316 -0.885 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.486 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -76.66 -162.48 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.686 -179.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.0 t -62.74 -39.62 94.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.607 0.241 . . . . 0.0 110.968 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -80.04 12.89 2.51 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 60.49 34.88 20.37 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 123.037 0.535 . . . . 0.0 112.158 179.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.591 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 53.5 t -101.31 132.63 46.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 178.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.623 ' HB2' ' HB2' ' A' ' 12' ' ' ASN . 42.4 t -67.73 100.38 0.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.024 0.44 . . . . 0.0 111.539 -178.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 25.6 t -85.84 76.95 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 177.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.466 ' HA ' ' HA2' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -76.9 139.71 40.3 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.616 -177.517 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.583 ' HD3' ' N ' ' A' ' 39' ' ' ARG . 0.3 OUTLIER -88.79 29.16 1.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.992 -179.645 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.796 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . 29.1 t30 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.431 -0.795 . . . . 0.0 111.217 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 28.2 m . . . . . 0 N--CA 1.466 0.373 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.805 ' HB2' ' HB3' ' A' ' 13' ' ' HIS . 36.4 m 60.15 56.34 3.35 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.055 0.455 . . . . 0.0 110.41 -179.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.565 ' HA ' ' ND2' ' A' ' 10' ' ' ASN . 3.4 t70 -73.9 46.0 0.22 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.329 -178.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.5 HD13 HG22 ' A' ' 35' ' ' VAL . 60.2 tp -81.69 -94.05 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.511 ' HB3' ' HE1' ' A' ' 9' ' ' PHE . . . -78.44 79.14 4.89 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 178.054 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.4 m -41.65 -25.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 115.392 1.627 . . . . 0.0 115.392 -176.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 16.6 pt -51.98 -31.62 14.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-O 121.167 0.508 . . . . 0.0 110.944 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.511 ' HE1' ' HB3' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -152.18 6.29 0.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.521 179.01 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.565 ' ND2' ' HA ' ' A' ' 4' ' ' ASP . 4.1 m120 52.18 43.55 30.5 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.551 -179.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.612 ' C ' ' H ' ' A' ' 13' ' ' HIS . 4.2 p 50.11 20.77 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.605 1.162 . . . . 0.0 111.071 -178.264 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 68.4 -25.36 0.13 Allowed 'General case' 0 CA--C 1.526 0.029 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.506 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.805 ' HB3' ' HB2' ' A' ' 3' ' ' CYS . 56.8 p-80 42.03 39.15 1.24 Allowed 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 122.421 1.105 . . . . 0.0 110.503 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -157.58 -42.3 0.07 Allowed 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 113.203 -1.817 . . . . 0.0 107.873 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.2 tp -64.75 -41.12 96.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.217 -0.901 . . . . 0.0 108.866 178.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 9.2 t -57.78 -54.99 40.63 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.717 -1.129 . . . . 0.0 110.355 179.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.404 ' O ' HG12 ' A' ' 21' ' ' ILE . . . -67.33 -34.76 78.01 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.28 -46.11 54.9 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -57.1 -49.17 76.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.49 0.662 . . . . 0.0 109.986 179.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 1.057 ' HB2' ' HA2' ' A' ' 27' ' ' GLY . 0.2 OUTLIER -64.88 -47.56 77.39 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.055 -179.37 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 17' ' ' ALA . 33.7 mm -57.35 -36.13 51.59 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.336 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.36 -35.62 70.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.284 0.564 . . . . 0.0 110.666 179.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -109.7 40.43 1.89 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.666 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.3 mmt-85 74.63 -121.32 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.487 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 54.05 -148.0 0.48 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.338 0.59 . . . . 0.0 111.55 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.715 ' HB3' ' HE ' ' A' ' 39' ' ' ARG . 11.5 tpp85 -142.01 26.17 1.88 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.096 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 1.057 ' HA2' ' HB2' ' A' ' 20' ' ' CYS . . . 67.64 -138.5 33.78 Favored Glycine 0 N--CA 1.443 -0.883 0 CA-C-N 114.536 -1.211 . . . . 0.0 113.568 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.79 145.6 17.6 Favored Glycine 0 N--CA 1.434 -1.467 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 37.5 p90 -120.02 142.77 48.52 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 -179.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.412 ' HB3' ' HA ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -72.35 118.71 15.57 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.894 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 53.6 p30 -75.25 -159.85 0.11 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.973 0.416 . . . . 0.0 111.613 -178.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.9 m -64.04 -34.82 78.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.908 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -88.35 15.97 7.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.116 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 63.31 15.45 8.67 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.962 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.5 HG22 HD13 ' A' ' 5' ' ' LEU . 47.3 t -84.69 128.42 38.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 179.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.9 t -75.15 108.76 8.11 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.014 0.435 . . . . 0.0 110.02 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 31.4 t -93.39 100.09 10.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.078 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.42 ' SG ' ' HB3' ' A' ' 40' ' ' ASN . 25.6 t -74.54 131.95 41.42 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.116 0.484 . . . . 0.0 109.781 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.715 ' HE ' ' HB3' ' A' ' 26' ' ' ARG . 0.3 OUTLIER -84.87 15.23 4.09 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -178.397 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.42 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--N 1.305 -1.333 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.362 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.7 m . . . . . 0 CA--C 1.537 0.473 0 CA-C-O 121.769 0.795 . . . . 0.0 112.177 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.773 ' HA ' ' HB1' ' A' ' 34' ' ' ALA . 20.5 m -50.75 149.9 3.14 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 114.828 -1.078 . . . . 0.0 112.61 -179.418 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.405 ' OD1' ' HA ' ' A' ' 35' ' ' VAL . 13.8 m-20 57.31 41.17 27.01 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 114.463 -1.244 . . . . 0.0 111.923 179.336 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 23.8 tp 52.49 58.81 5.01 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.25 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.833 ' HB1' ' HA ' ' A' ' 10' ' ' ASN . . . -72.86 68.18 0.87 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.939 -178.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.9 p -73.48 -109.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.35 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.0 pt -67.68 -44.81 85.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.329 0.585 . . . . 0.0 110.09 179.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -90.1 53.04 2.4 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.774 178.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.833 ' HA ' ' HB1' ' A' ' 6' ' ' ALA . 20.9 t-20 -47.54 -34.09 7.22 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.099 -0.955 . . . . 0.0 112.191 -179.018 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.6 p -58.62 -14.98 4.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 113.178 0.806 . . . . 0.0 113.178 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.504 HD21 ' HA ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -70.06 50.12 0.11 Allowed 'General case' 0 N--CA 1.477 0.888 0 CA-C-O 121.618 0.723 . . . . 0.0 112.942 -179.39 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 27.3 p-80 -155.47 -33.73 0.09 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.088 178.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.34 -33.16 67.11 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.754 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 mp -58.78 -51.82 68.36 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.121 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 11.8 p -63.98 -51.47 64.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.67 0.271 . . . . 0.0 110.761 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.89 -47.43 82.82 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.51 -45.5 73.32 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.689 0.28 . . . . 0.0 111.337 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -57.92 -49.27 77.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.429 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.67 ' HB2' ' HA2' ' A' ' 27' ' ' GLY . 90.6 m -69.26 -48.07 62.82 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.991 -179.073 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.62 HG13 ' HA3' ' A' ' 27' ' ' GLY . 79.4 mt -52.52 -44.01 43.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 C-N-CA 122.557 0.343 . . . . 0.0 111.568 179.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.9 -43.14 72.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.053 -0.522 . . . . 0.0 112.053 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -81.88 47.42 1.1 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.468 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.5 ptt85 49.92 49.36 20.39 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.404 1.082 . . . . 0.0 113.041 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.483 ' HB3' ' HB2' ' A' ' 39' ' ' ARG . 60.8 m-85 -130.38 173.81 10.47 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.901 0.381 . . . . 0.0 110.336 178.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 55.9 mtp85 -81.81 -6.24 58.9 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.563 0.697 . . . . 0.0 109.22 178.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.733 ' O ' ' HA ' ' A' ' 38' ' ' CYS . . . 83.72 -57.69 5.04 Favored Glycine 0 C--O 1.216 -0.985 0 CA-C-N 114.753 -1.112 . . . . 0.0 112.734 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 166.7 139.73 2.73 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 119.604 -1.284 . . . . 0.0 112.878 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -103.19 137.73 40.94 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 178.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 33.2 m -93.35 113.17 25.28 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.9 p-10 -75.89 -155.93 0.06 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.267 -178.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.6 t -61.55 -47.84 83.7 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.193 0.521 . . . . 0.0 110.185 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.567 ' HB3' HG23 ' A' ' 35' ' ' VAL . 26.5 tptp -73.94 -2.5 24.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.134 179.273 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.773 ' HB1' ' HA ' ' A' ' 3' ' ' CYS . . . 62.8 30.16 16.69 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.039 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.567 HG23 ' HB3' ' A' ' 33' ' ' LYS . 73.5 t -70.63 137.98 22.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.042 179.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.6 t -74.9 79.24 2.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.171 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.0 t -75.5 68.89 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-O 121.605 0.717 . . . . 0.0 109.321 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.733 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 0.1 OUTLIER -52.08 130.99 31.46 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.336 -1.302 . . . . 0.0 113.191 -177.582 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.483 ' HB2' ' HB3' ' A' ' 25' ' ' TYR . 7.8 mmm180 -89.9 118.95 29.86 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 177.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.455 ' HA ' ' CE2' ' A' ' 25' ' ' TYR . 12.3 p-10 . . . . . 0 C--N 1.307 -1.243 0 CA-C-O 118.387 -0.816 . . . . 0.0 110.509 -178.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.1 p . . . . . 0 N--CA 1.449 -0.524 0 CA-C-O 120.413 0.149 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.706 ' HB2' ' HB3' ' A' ' 13' ' ' HIS . 93.4 m -72.22 53.92 0.29 Allowed 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 121.047 0.451 . . . . 0.0 111.231 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.682 ' HA ' ' HB2' ' A' ' 10' ' ' ASN . 11.3 t70 -86.08 133.7 33.87 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.025 0.44 . . . . 0.0 111.436 -179.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.569 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 0.7 OUTLIER -167.62 -51.94 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 179.149 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.41 77.09 9.24 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.266 -1.334 . . . . 0.0 109.36 178.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.412 ' O ' ' HB ' ' A' ' 8' ' ' ILE . 45.2 m -27.27 129.02 0.05 Allowed 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 114.263 1.208 . . . . 0.0 114.263 -178.026 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.412 ' HB ' ' O ' ' A' ' 7' ' ' SER . 4.1 mp 76.31 -65.7 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-N 114.294 -1.321 . . . . 0.0 111.306 -179.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -92.1 41.29 1.07 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.573 0.701 . . . . 0.0 109.7 178.191 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.682 ' HB2' ' HA ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -62.97 156.0 25.8 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.541 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.645 HG11 ' HB2' ' A' ' 36' ' ' CYS . 44.0 t -49.64 113.52 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 O-C-N 123.769 0.668 . . . . 0.0 110.262 -179.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.632 HD22 ' N ' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -53.42 -13.96 0.69 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.234 -1.348 . . . . 0.0 112.329 -179.469 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.706 ' HB3' ' HB2' ' A' ' 3' ' ' CYS . 52.4 p-80 37.24 37.87 0.1 Allowed 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.478 1.111 . . . . 0.0 113.843 176.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -156.0 -41.58 0.08 Allowed 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.507 ' HB3' ' OD1' ' A' ' 12' ' ' ASN . 8.8 tt -70.65 -40.44 73.03 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 178.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.2 p -59.39 -50.82 72.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.028 178.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.482 ' HB2' ' H ' ' A' ' 28' ' ' GLY . . . -63.49 -35.01 79.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.267 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.17 -44.16 61.45 Favored 'General case' 0 N--CA 1.464 0.27 0 O-C-N 123.259 0.35 . . . . 0.0 111.701 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.2 t-80 -57.47 -44.44 84.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.447 0.642 . . . . 0.0 110.134 179.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.771 ' HB2' ' HA2' ' A' ' 27' ' ' GLY . 72.5 m -70.42 -49.83 44.82 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.79 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.577 ' HA ' ' O ' ' A' ' 25' ' ' TYR . 88.6 mt -52.24 -41.21 33.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 C-N-CA 122.596 0.358 . . . . 0.0 110.914 179.119 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.72 -41.69 82.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.191 0.519 . . . . 0.0 110.643 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 71.4 mtp180 -86.43 22.14 1.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.702 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 62.1 mmt-85 68.5 47.02 0.95 Allowed 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.041 0.536 . . . . 0.0 112.406 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.577 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 85.9 m-85 -124.54 159.65 30.14 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.97 178.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.457 ' HB3' ' HD2' ' A' ' 39' ' ' ARG . 19.0 tpp180 -67.98 -31.8 71.76 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.771 ' HA2' ' HB2' ' A' ' 20' ' ' CYS . . . 104.23 -143.3 15.67 Favored Glycine 0 N--CA 1.439 -1.102 0 CA-C-N 115.112 -0.949 . . . . 0.0 113.159 178.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.617 ' HA2' ' O ' ' A' ' 37' ' ' VAL . . . -106.63 161.58 13.96 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.725 -0.75 . . . . 0.0 114.678 -178.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 42.4 p90 -141.51 139.44 33.27 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.267 -0.967 . . . . 0.0 108.414 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.8 m -71.57 121.06 18.07 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.61 0.243 . . . . 0.0 110.856 -178.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.479 HD21 ' HB ' ' A' ' 35' ' ' VAL . 37.4 p30 -88.05 -155.17 0.3 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.126 179.115 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.2 t -66.49 -39.15 88.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.839 0.352 . . . . 0.0 110.777 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.424 ' HD2' ' N ' ' A' ' 33' ' ' LYS . 10.5 mptt -85.45 11.49 10.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.606 0.241 . . . . 0.0 110.464 179.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.569 ' HB3' ' HB2' ' A' ' 5' ' ' LEU . . . 61.65 25.84 15.65 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.033 -179.193 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.479 ' HB ' HD21 ' A' ' 31' ' ' ASN . 97.5 t -84.08 135.35 24.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.966 179.238 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.645 ' HB2' HG11 ' A' ' 11' ' ' VAL . 52.8 t -77.05 83.13 3.56 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.698 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.617 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 41.4 t -71.33 100.39 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 179.371 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.472 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 1.3 t -86.74 125.9 34.21 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.901 -177.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.457 ' HD2' ' HB3' ' A' ' 26' ' ' ARG . 61.4 mtt-85 -73.19 121.48 20.36 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 178.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 . . . . . 0 C--N 1.307 -1.241 0 CA-C-O 117.754 -1.117 . . . . 0.0 109.464 -178.929 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.577 ' HB ' ' HB2' ' A' ' 10' ' ' ASN . 18.8 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.628 ' HB3' ' HB3' ' A' ' 6' ' ' ALA . 19.8 t -173.36 42.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 29.7 t70 72.09 -47.48 0.66 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.921 0.888 . . . . 0.0 110.882 -179.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 50.8 tp -167.72 88.29 0.27 Allowed 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.945 -1.025 . . . . 0.0 108.917 178.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.628 ' HB3' ' HB3' ' A' ' 3' ' ' CYS . . . -162.97 88.39 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.942 -178.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.3 m -89.47 -51.75 5.38 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 111.735 0.272 . . . . 0.0 111.735 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.44 HG13 ' CD2' ' A' ' 9' ' ' PHE . 30.8 pt -76.59 5.28 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 112.697 0.628 . . . . 0.0 112.697 -179.056 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.575 ' HD1' ' HB1' ' A' ' 6' ' ' ALA . 0.1 OUTLIER -163.66 56.34 0.17 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.103 0.478 . . . . 0.0 110.926 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.577 ' HB2' ' HB ' ' A' ' 2' ' ' THR . 14.2 p-10 -81.35 6.11 15.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.732 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.2 t -59.66 -42.96 90.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-O 121.375 0.607 . . . . 0.0 110.536 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.455 ' O ' ' HB3' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -57.99 131.98 52.06 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.653 178.635 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.508 ' HA ' ' SG ' ' A' ' 16' ' ' CYS . 1.9 p-80 108.26 -26.04 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.782 1.633 . . . . 0.0 109.193 -177.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.0 -46.35 9.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.314 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.1 tt -61.96 -50.74 70.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.38 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.508 ' SG ' ' HA ' ' A' ' 13' ' ' HIS . 5.0 p -63.39 -38.79 92.52 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.989 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.52 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . . . -54.27 -35.45 62.56 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.339 -179.635 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.09 -44.25 61.22 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 123.216 0.322 . . . . 0.0 111.512 -179.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 65.8 t-80 -66.06 -41.9 90.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.649 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.681 ' HB2' ' HA2' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -69.85 -43.59 71.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.524 179.831 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.8 mm -58.44 -41.28 81.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 C-N-CA 122.823 0.449 . . . . 0.0 110.21 178.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.79 -33.05 72.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.941 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.5 mmt-85 -84.41 21.04 1.52 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.997 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 64.95 41.99 4.49 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 123.316 0.647 . . . . 0.0 112.328 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -119.8 -166.61 1.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.796 0.332 . . . . 0.0 110.77 178.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 91.7 mtm180 -104.73 28.81 6.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.377 0.608 . . . . 0.0 110.95 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.681 ' HA2' ' HB2' ' A' ' 20' ' ' CYS . . . 69.01 -140.89 35.06 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.37 -0.832 . . . . 0.0 113.856 179.043 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.88 138.55 10.01 Favored Glycine 0 N--CA 1.441 -1.008 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.03 -178.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 50.4 p90 -118.81 144.13 46.51 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.544 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 56.9 m -76.92 119.96 21.39 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.728 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.823 HD21 HG12 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -75.05 -176.96 3.17 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 178.391 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.9 t -56.84 -29.91 63.29 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.499 0.19 . . . . 0.0 111.235 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.2 mppt? -76.84 16.9 0.47 Allowed 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 50.95 47.17 25.27 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.284 0.633 . . . . 0.0 112.699 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.823 HG12 HD21 ' A' ' 31' ' ' ASN . 4.7 p -139.19 143.23 31.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.946 -0.391 . . . . 0.0 109.946 179.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.8 t -67.03 132.7 48.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.094 -0.503 . . . . 0.0 112.132 -178.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 62.0 t -113.0 84.76 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.532 178.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 13.0 t -65.2 126.58 28.59 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.87 -0.29 50.65 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.497 -178.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.647 ' HB3' ' HA ' ' A' ' 20' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.246 0.886 0 CA-C-O 118.31 -0.852 . . . . 0.0 112.482 -178.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.744 ' HB ' ' HB3' ' A' ' 13' ' ' HIS . 1.9 m . . . . . 0 N--CA 1.471 0.607 0 CA-C-O 121.552 0.691 . . . . 0.0 111.953 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.0 p -76.98 41.49 0.28 Allowed 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.856 -177.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.572 ' HB2' ' CB ' ' A' ' 34' ' ' ALA . 73.9 m-20 -128.72 -70.57 0.67 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.287 0.565 . . . . 0.0 109.853 179.071 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.9 tt -170.84 139.47 1.48 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.42 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.926 ' HB3' ' HA ' ' A' ' 10' ' ' ASN . . . -147.19 30.59 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.109 0.48 . . . . 0.0 110.64 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.6 t 52.01 -137.61 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.333 179.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 36.7 pt -65.85 -31.46 53.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -179.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -91.57 33.79 1.0 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.788 0.328 . . . . 0.0 111.45 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.926 ' HA ' ' HB3' ' A' ' 6' ' ' ALA . 12.2 t-20 -56.63 -32.8 65.67 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.222 0.534 . . . . 0.0 110.611 179.115 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.2 m -55.62 -11.51 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.612 HD21 HG21 ' A' ' 2' ' ' THR . 0.0 OUTLIER -76.81 42.07 0.29 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -179.274 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.744 ' HB3' ' HB ' ' A' ' 2' ' ' THR . 4.9 p-80 -150.41 -40.59 0.13 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.716 177.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.36 -50.79 58.31 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 178.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -72.31 -38.61 68.66 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.861 178.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.447 ' HB3' ' HA ' ' A' ' 13' ' ' HIS . 52.4 t -56.67 -58.45 8.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.221 -0.899 . . . . 0.0 111.06 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.404 ' O ' HG13 ' A' ' 21' ' ' ILE . . . -61.96 -41.2 97.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.497 0.189 . . . . 0.0 111.394 179.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.89 -42.27 79.56 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.985 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -38.73 92.34 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.107 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.763 ' HB2' ' HA2' ' A' ' 27' ' ' GLY . 13.9 m -65.35 -52.26 55.01 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 178.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.675 ' HA ' ' O ' ' A' ' 25' ' ' TYR . 73.2 mt -54.76 -35.89 34.82 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.064 178.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.3 -37.35 74.87 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 121.134 0.493 . . . . 0.0 110.827 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -85.49 25.62 1.02 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.473 178.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 65.21 23.24 12.24 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.43 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.675 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 23.0 m-85 -97.24 165.06 12.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.988 0.423 . . . . 0.0 110.618 178.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 57.3 mtp85 -69.78 -44.37 70.23 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.841 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.763 ' HA2' ' HB2' ' A' ' 20' ' ' CYS . . . 131.31 -123.69 3.85 Favored Glycine 0 N--CA 1.436 -1.349 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.628 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -157.14 130.35 2.62 Favored Glycine 0 N--CA 1.433 -1.511 0 N-CA-C 111.086 -0.805 . . . . 0.0 111.086 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -92.83 145.79 24.13 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.45 121.82 22.06 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.283 -179.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.51 ' HB3' HG21 ' A' ' 37' ' ' VAL . 18.4 p-10 -85.79 -178.77 6.69 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 178.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.1 m -57.08 -33.66 67.5 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 111.979 0.362 . . . . 0.0 111.979 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -86.08 8.3 21.31 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.572 ' CB ' ' HB2' ' A' ' 4' ' ' ASP . . . 56.29 46.36 21.28 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 179.213 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.9 t -110.0 148.69 13.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 35.2 t -73.71 83.69 1.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.046 0.45 . . . . 0.0 110.38 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.547 HG12 HH21 ' A' ' 39' ' ' ARG . 8.6 t -78.66 57.51 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.479 0.657 . . . . 0.0 110.023 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.468 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 11.2 t -61.34 139.22 58.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.735 -179.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.547 HH21 HG12 ' A' ' 37' ' ' VAL . 2.7 mmp_? -63.73 -56.13 17.94 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 . . . . . 0 C--O 1.248 1.016 0 O-C-N 124.419 1.074 . . . . 0.0 113.355 176.774 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.0 m . . . . . 0 CA--C 1.536 0.408 0 CA-C-O 121.731 0.776 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.517 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 67.3 m -56.16 122.71 12.36 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.911 -1.041 . . . . 0.0 112.456 -178.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.2 t0 59.66 104.91 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.379 0.672 . . . . 0.0 111.659 179.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 pp -89.21 -173.74 4.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.172 0.51 . . . . 0.0 111.739 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.444 ' O ' ' HB2' ' A' ' 7' ' ' SER . . . -166.02 -82.28 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.903 179.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.444 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 22.7 t 170.65 -104.07 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.95 -1.023 . . . . 0.0 108.633 178.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 23.2 pt -67.78 -42.26 85.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.975 0.417 . . . . 0.0 110.626 179.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.409 ' CE1' ' HB1' ' A' ' 6' ' ' ALA . 0.3 OUTLIER -95.83 50.47 1.2 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.484 0.659 . . . . 0.0 110.334 178.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -68.74 -14.16 62.84 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.995 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.7 m -65.55 10.92 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -179.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -77.0 50.61 0.74 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.503 0.668 . . . . 0.0 111.34 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 35.4 p-80 -178.48 -30.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.631 178.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.36 -34.35 55.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.246 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.4 tt -64.57 -52.47 57.44 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.192 -179.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.4 p -56.69 -47.94 78.77 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.644 0.259 . . . . 0.0 110.644 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.462 ' O ' HG13 ' A' ' 21' ' ' ILE . . . -59.48 -42.75 92.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.126 179.291 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.99 -43.0 86.35 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.925 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 31.6 t-80 -58.32 -44.84 88.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.654 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.569 ' HB2' ' HA2' ' A' ' 27' ' ' GLY . 68.6 m -65.13 -48.2 74.45 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.448 179.443 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.679 ' HA ' ' O ' ' A' ' 25' ' ' TYR . 84.1 mt -51.75 -39.77 25.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-O 120.943 0.401 . . . . 0.0 110.807 178.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.97 -37.23 79.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.04 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.0 mmt-85 -86.64 23.5 1.65 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.337 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.7 mtm-85 66.85 27.09 9.17 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.095 0.558 . . . . 0.0 111.33 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.679 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 8.7 m-85 -103.12 159.28 15.66 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.694 178.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.3 tpt180 -68.12 -40.25 82.55 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.987 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.569 ' HA2' ' HB2' ' A' ' 20' ' ' CYS . . . 140.4 -132.24 5.39 Favored Glycine 0 N--CA 1.438 -1.168 0 C-N-CA 120.499 -0.858 . . . . 0.0 111.993 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.421 ' HA2' ' HA ' ' A' ' 38' ' ' CYS . . . -138.19 159.69 25.23 Favored Glycine 0 N--CA 1.439 -1.13 0 N-CA-C 111.714 -0.555 . . . . 0.0 111.714 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 35.2 p90 -136.92 143.9 43.17 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.517 ' HB3' ' HB3' ' A' ' 3' ' ' CYS . 0.8 OUTLIER -78.81 122.41 26.02 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.024 0.44 . . . . 0.0 110.692 -179.784 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.498 ' HB3' HG21 ' A' ' 37' ' ' VAL . 23.9 p-10 -80.06 -157.27 0.14 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.134 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.2 t -63.23 -35.71 81.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.898 0.38 . . . . 0.0 110.551 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -88.63 14.16 10.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.528 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.482 ' HA ' ' HB2' ' A' ' 30' ' ' CYS . . . 57.19 26.35 12.08 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.013 -0.539 . . . . 0.0 112.02 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.469 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 70.5 t -86.17 139.95 16.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.273 -0.421 . . . . 0.0 109.875 179.306 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.4 t -70.87 85.35 0.68 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.967 0.413 . . . . 0.0 110.13 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.498 HG21 ' HB3' ' A' ' 31' ' ' ASN . 28.0 t -77.97 77.74 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.177 0.513 . . . . 0.0 109.651 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.421 ' HA ' ' HA2' ' A' ' 28' ' ' GLY . 0.5 OUTLIER -73.61 133.1 43.42 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.482 -179.265 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.662 ' HB2' ' HD2' ' A' ' 25' ' ' TYR . 74.4 mtt-85 -60.55 -56.0 26.61 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 . . . . . 0 C--O 1.246 0.916 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 176.367 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 120.544 0.211 . . . . 0.0 110.712 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.0 m -68.74 -62.71 1.27 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.722 -0.217 . . . . 0.0 110.44 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.7 t -178.75 -140.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' A' ' 5' ' ' LEU . 28.4 t70 -164.68 43.59 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.174 0.511 . . . . 0.0 109.679 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.4 ' HB3' ' O ' ' A' ' 4' ' ' ASP . 25.7 tp 69.28 -53.76 0.59 Allowed 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.173 -0.921 . . . . 0.0 112.9 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.525 ' O ' ' HB2' ' A' ' 7' ' ' SER . . . 65.22 -82.61 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.634 0 O-C-N 123.712 0.632 . . . . 0.0 110.437 -179.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.525 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 6.7 t 171.31 -112.37 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.778 0 O-C-N 124.008 0.818 . . . . 0.0 109.061 178.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.1 mt -104.32 39.49 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 122.307 1.051 . . . . 0.0 109.119 179.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.416 ' CE1' ' HB1' ' A' ' 6' ' ' ALA . 0.1 OUTLIER -163.73 35.26 0.09 Allowed 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.212 -1.358 . . . . 0.0 109.384 179.78 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -57.31 -24.05 52.5 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.775 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.6 m -63.5 -3.6 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.562 -0.745 . . . . 0.0 112.283 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.625 ' O ' ' HB2' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -69.71 57.83 0.14 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.691 0.758 . . . . 0.0 111.91 179.656 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.572 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . 54.8 p-80 -159.52 -37.98 0.06 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.479 178.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.02 -42.85 36.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.736 0.303 . . . . 0.0 111.09 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -64.48 -50.26 68.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.51 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.493 ' SG ' ' HA ' ' A' ' 13' ' ' HIS . 2.4 p -64.34 -41.2 96.89 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.449 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.625 ' HA ' ' SG ' ' A' ' 38' ' ' CYS . . . -58.37 -30.49 66.82 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -179.135 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -48.32 -45.31 34.97 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 -64.98 -44.69 88.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.173 0.511 . . . . 0.0 110.816 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.625 ' HB3' ' O ' ' A' ' 39' ' ' ARG . 60.7 m -68.66 -53.67 21.01 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.761 -178.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 81.7 mt -53.36 -39.77 37.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 122.709 0.404 . . . . 0.0 111.162 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.62 -37.81 71.21 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.99 0.424 . . . . 0.0 110.805 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.6 mtp85 -83.9 24.59 0.89 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.241 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.8 mmt85 68.16 16.66 9.42 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.237 -0.892 . . . . 0.0 112.645 178.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.46 ' HB2' ' O ' ' A' ' 20' ' ' CYS . 19.2 m-85 -86.24 172.64 10.34 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 178.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.426 ' HB2' HH21 ' A' ' 39' ' ' ARG . 7.8 tpm_? -70.29 -36.4 74.33 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -179.147 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.83 -112.71 1.62 Allowed Glycine 0 N--CA 1.438 -1.229 0 CA-C-N 115.373 -0.831 . . . . 0.0 112.57 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -166.56 151.4 19.55 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.345 -179.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -137.15 144.13 42.8 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.572 ' SG ' ' HB3' ' A' ' 13' ' ' HIS . 9.4 m -77.06 124.52 27.91 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.414 HD22 ' C ' ' A' ' 31' ' ' ASN . 0.1 OUTLIER -78.77 -177.24 5.34 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.288 179.767 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.6 m -53.41 -30.96 42.88 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -179.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -85.53 18.58 2.71 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 120.872 0.368 . . . . 0.0 111.209 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 53.82 45.63 27.44 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 122.951 0.5 . . . . 0.0 112.25 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.442 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 95.5 t -127.97 137.32 57.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.625 ' HB2' ' O ' ' A' ' 12' ' ' ASN . 40.9 t -66.1 125.64 26.13 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 123.307 0.379 . . . . 0.0 111.199 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 27.3 t -112.44 71.92 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 108.272 -1.011 . . . . 0.0 108.272 178.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.625 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 2.0 t -68.1 127.0 31.3 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.375 -178.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.625 ' O ' ' HB3' ' A' ' 20' ' ' CYS . 8.5 mtm180 -87.29 111.54 21.15 Favored 'General case' 0 CA--C 1.508 -0.672 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 178.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.2 t30 . . . . . 0 C--N 1.304 -1.393 0 CA-C-O 118.977 -0.535 . . . . 0.0 110.224 -178.625 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.994 0 CA-C-O 120.898 0.38 . . . . 0.0 110.523 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.0 m -63.7 -34.77 78.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.153 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.6 m 58.2 42.55 21.85 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.214 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -74.8 144.94 43.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.012 0.434 . . . . 0.0 111.137 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.823 ' HB3' ' HE1' ' A' ' 9' ' ' PHE . 6.5 tt -117.34 -45.01 2.74 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.055 -179.099 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -148.07 18.67 1.11 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.377 -179.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 24.2 m 67.21 -39.83 0.38 Allowed 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 114.398 1.259 . . . . 0.0 114.398 177.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 59.7 mt -54.85 -66.82 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 111.365 0.135 . . . . 0.0 111.365 -178.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.823 ' HE1' ' HB3' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -83.95 -22.11 31.58 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.191 178.697 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 24.9 t30 57.0 17.66 3.5 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.637 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.72 ' H ' ' HD1' ' A' ' 9' ' ' PHE . 85.6 t 60.01 116.28 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.513 -0.468 0 CA-C-N 115.397 -0.82 . . . . 0.0 112.152 -179.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.469 HD22 ' N ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -74.04 39.99 0.12 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.405 178.692 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.799 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 36.9 p-80 -53.85 -30.06 43.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.496 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.59 -44.08 44.94 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.738 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.439 ' HB2' ' HB2' ' A' ' 12' ' ' ASN . 98.9 mt -69.41 -45.01 70.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.506 -179.27 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.473 ' SG ' ' HA ' ' A' ' 13' ' ' HIS . 30.2 p -63.56 -43.02 98.27 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.929 -179.165 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.595 ' HA ' ' SG ' ' A' ' 38' ' ' CYS . . . -65.41 -39.03 91.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.451 179.308 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.4 -34.2 66.51 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.856 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 30.4 t-80 -57.01 -46.76 82.09 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.87 178.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.664 ' SG ' ' HB2' ' A' ' 40' ' ' ASN . 57.5 m -71.1 -44.66 65.19 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.629 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.645 ' HA ' ' O ' ' A' ' 25' ' ' TYR . 75.4 mt -52.25 -38.54 25.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 179.237 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.18 -35.02 74.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.133 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.521 ' N ' ' HD2' ' A' ' 23' ' ' ARG . 5.7 mpt_? -90.6 27.03 1.83 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.065 0.459 . . . . 0.0 110.45 179.202 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 66.55 31.0 8.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.276 -0.875 . . . . 0.0 112.642 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.645 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 45.1 m-85 -103.04 163.81 11.99 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 177.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.33 -39.57 65.13 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.085 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.412 ' HA2' ' HB2' ' A' ' 20' ' ' CYS . . . 140.13 -118.51 1.46 Allowed Glycine 0 N--CA 1.44 -1.078 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.772 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.667 ' HA3' ' O ' ' A' ' 37' ' ' VAL . . . -144.83 -138.82 3.36 Favored Glycine 0 N--CA 1.443 -0.88 0 N-CA-C 111.46 -0.656 . . . . 0.0 111.46 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -175.48 134.8 0.31 Allowed 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.0 m -79.99 118.0 21.33 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 -81.15 -166.02 1.05 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.358 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.2 t -60.42 -40.02 89.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.725 0.298 . . . . 0.0 111.236 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -82.72 5.89 19.82 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 60.23 35.29 20.94 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.177 0.513 . . . . 0.0 111.174 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.9 t -78.56 145.16 10.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.038 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.799 ' SG ' ' HA ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -74.87 60.28 0.95 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.255 -179.083 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.667 ' O ' ' HA3' ' A' ' 28' ' ' GLY . 24.8 t -66.57 141.54 17.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 179.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.595 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 2.7 t -151.62 149.75 29.51 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 -178.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -76.22 -77.36 0.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.608 0.242 . . . . 0.0 111.096 -178.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.664 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . 6.3 t30 . . . . . 0 C--O 1.25 1.082 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.198 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.114 0 CA-C-O 121.039 0.447 . . . . 0.0 110.201 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.33 123.62 48.6 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.244 178.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 4' ' ' ASP . 7.5 t -79.33 46.31 0.72 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.439 0.638 . . . . 0.0 110.998 -179.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.658 ' HA ' ' O ' ' A' ' 34' ' ' ALA . 33.5 t70 172.36 142.01 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.506 -1.225 . . . . 0.0 107.727 179.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.677 HD23 ' H ' ' A' ' 5' ' ' LEU . 0.4 OUTLIER -50.36 111.32 0.51 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.494 0.664 . . . . 0.0 109.895 -179.618 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.609 ' HA ' ' HA ' ' A' ' 10' ' ' ASN . . . -76.94 45.0 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.994 -1.003 . . . . 0.0 113.668 -176.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.2 p -85.34 105.32 15.91 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.985 -0.286 . . . . 0.0 110.282 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 79.5 mt 68.92 -68.91 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 C-N-CA 123.281 0.632 . . . . 0.0 111.632 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.527 ' HB2' ' HB3' ' A' ' 12' ' ' ASN . 0.5 OUTLIER -87.84 53.74 2.87 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.357 0.598 . . . . 0.0 110.797 179.483 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.609 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 17.5 p-10 -51.75 -36.25 46.5 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 -179.111 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.9 t -73.4 -18.36 17.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -178.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.527 ' HB3' ' HB2' ' A' ' 9' ' ' PHE . 0.1 OUTLIER -49.81 -25.02 2.73 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 114.506 1.299 . . . . 0.0 114.506 -178.192 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.573 ' HB3' ' HB3' ' A' ' 4' ' ' ASP . 56.9 p-80 -56.29 -37.81 70.38 Favored 'General case' 0 C--N 1.315 -0.92 0 C-N-CA 120.562 -0.455 . . . . 0.0 111.351 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.57 -45.3 72.46 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.012 0.434 . . . . 0.0 110.397 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.5 mp -63.37 -41.2 98.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.645 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 23.9 t -55.34 -55.81 27.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.819 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.425 ' O ' HG13 ' A' ' 21' ' ' ILE . . . -67.72 -37.19 81.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.768 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.15 -46.07 65.29 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.163 0.289 . . . . 0.0 111.45 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -57.91 -41.64 83.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.777 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.956 ' HB2' ' HA2' ' A' ' 27' ' ' GLY . 1.8 m -72.98 -52.31 14.98 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.946 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.725 ' HA ' ' O ' ' A' ' 25' ' ' TYR . 81.5 mt -53.59 -42.21 49.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.484 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.96 -40.09 92.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.028 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -83.8 31.58 0.48 Allowed 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 65.65 49.42 1.77 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 122.678 0.391 . . . . 0.0 111.951 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.725 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 75.5 m-85 -140.03 165.76 26.49 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.7 0.762 . . . . 0.0 111.56 179.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -71.64 -39.7 70.22 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 114.383 -1.28 . . . . 0.0 109.189 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.956 ' HA2' ' HB2' ' A' ' 20' ' ' CYS . . . 110.4 -154.16 16.72 Favored Glycine 0 N--CA 1.439 -1.127 0 CA-C-N 114.755 -1.112 . . . . 0.0 112.334 179.196 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.508 ' CA ' ' HA ' ' A' ' 38' ' ' CYS . . . -106.22 123.65 7.51 Favored Glycine 0 N--CA 1.44 -1.069 0 C-N-CA 120.234 -0.984 . . . . 0.0 113.44 -179.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 20.8 p90 -97.32 134.92 39.97 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.474 ' HB2' ' HA ' ' A' ' 34' ' ' ALA . 1.7 p -77.13 118.33 19.55 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 120.841 0.353 . . . . 0.0 110.797 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 35.4 p-10 -79.18 -159.3 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.833 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.7 t -61.26 -39.92 92.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.647 0.26 . . . . 0.0 110.683 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -84.97 13.73 5.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.684 -0.234 . . . . 0.0 111.452 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.658 ' O ' ' HA ' ' A' ' 4' ' ' ASP . . . 55.59 39.51 30.97 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.234 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.0 t -93.4 128.85 44.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.5 t -73.48 80.51 1.44 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.848 0.356 . . . . 0.0 110.783 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.477 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 12.7 t -73.99 83.51 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 179.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.508 ' HA ' ' CA ' ' A' ' 28' ' ' GLY . 6.4 t -65.63 129.48 39.9 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 -177.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.436 ' HD2' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -82.72 134.23 35.14 Favored 'General case' 0 CA--C 1.508 -0.657 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 176.732 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 . . . . . 0 C--N 1.302 -1.466 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.634 -179.111 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.897 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.34 128.25 35.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.86 0.362 . . . . 0.0 110.1 179.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.482 ' HB2' ' HB2' ' A' ' 6' ' ' ALA . 94.2 m -81.85 59.17 4.15 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -178.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 51.85 -114.26 0.8 Allowed 'General case' 0 C--O 1.233 0.223 0 C-N-CA 122.959 0.504 . . . . 0.0 112.131 179.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 75.0 mt -80.91 35.14 0.36 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.421 -178.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.602 ' HA ' ' CE1' ' A' ' 9' ' ' PHE . . . -81.5 57.53 3.33 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.972 0.415 . . . . 0.0 110.416 179.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.3 p -78.0 -52.93 8.03 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.506 -179.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 58.5 mt -77.26 -46.04 28.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.988 0.423 . . . . 0.0 111.148 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.602 ' CE1' ' HA ' ' A' ' 6' ' ' ALA . 0.1 OUTLIER -102.92 47.44 0.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.441 -179.761 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -55.88 -33.04 64.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.174 0.512 . . . . 0.0 111.906 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.0 m -57.31 -17.34 6.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.623 ' HB2' ' HB2' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -72.84 33.35 0.07 Allowed 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -179.472 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 5.4 p-80 -143.35 -36.53 0.37 Allowed 'General case' 0 C--N 1.32 -0.711 0 O-C-N 122.092 -0.38 . . . . 0.0 110.758 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -105.81 -59.77 1.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.595 179.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -65.93 -38.92 89.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.179 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.611 ' HB2' ' HA ' ' A' ' 12' ' ' ASN . 49.4 t -57.41 -55.19 37.95 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 179.101 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.614 ' O ' HG13 ' A' ' 21' ' ' ILE . . . -61.09 -43.49 98.81 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.555 178.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.58 -47.98 49.01 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -178.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -60.42 -40.64 91.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.4 0.619 . . . . 0.0 110.319 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.796 ' SG ' ' HB2' ' A' ' 40' ' ' ASN . 58.7 m -69.15 -42.86 75.39 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.985 -179.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.614 HG13 ' O ' ' A' ' 17' ' ' ALA . 61.2 mt -56.19 -39.69 60.77 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 178.032 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.82 -37.22 73.42 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.403 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -79.96 27.01 0.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.06 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 59.1 mtp85 63.92 39.45 8.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.207 0.527 . . . . 0.0 111.215 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.513 ' HB2' ' O ' ' A' ' 20' ' ' CYS . 45.6 m-85 -120.65 177.02 5.23 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.449 178.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.527 ' O ' HG12 ' A' ' 21' ' ' ILE . 23.6 mmt85 -80.34 -39.22 29.04 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.767 0.318 . . . . 0.0 110.262 -179.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 142.16 -136.53 7.32 Favored Glycine 0 N--CA 1.44 -1.041 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.311 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.466 ' HA2' ' HA ' ' A' ' 38' ' ' CYS . . . -145.66 141.55 9.86 Favored Glycine 0 N--CA 1.439 -1.139 0 C-N-CA 121.06 -0.591 . . . . 0.0 111.976 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -124.39 137.37 54.47 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.591 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 90.9 m -79.51 130.36 35.32 Favored 'General case' 0 C--N 1.316 -0.885 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.486 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -76.66 -162.48 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.686 -179.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.0 t -62.74 -39.62 94.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.607 0.241 . . . . 0.0 110.968 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -80.04 12.89 2.51 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 60.49 34.88 20.37 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 123.037 0.535 . . . . 0.0 112.158 179.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.591 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 53.5 t -101.31 132.63 46.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 178.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.623 ' HB2' ' HB2' ' A' ' 12' ' ' ASN . 42.4 t -67.73 100.38 0.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.024 0.44 . . . . 0.0 111.539 -178.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 25.6 t -85.84 76.95 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 177.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.466 ' HA ' ' HA2' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -76.9 139.71 40.3 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.616 -177.517 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.583 ' HD3' ' N ' ' A' ' 39' ' ' ARG . 0.3 OUTLIER -88.79 29.16 1.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.992 -179.645 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.796 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . 29.1 t30 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.431 -0.795 . . . . 0.0 111.217 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.932 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 28.2 m 74.59 -54.96 0.66 Allowed 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.284 0.634 . . . . 0.0 112.159 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.805 ' HB2' ' HB3' ' A' ' 13' ' ' HIS . 36.4 m 60.15 56.34 3.35 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.055 0.455 . . . . 0.0 110.41 -179.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.565 ' HA ' ' ND2' ' A' ' 10' ' ' ASN . 3.4 t70 -73.9 46.0 0.22 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.329 -178.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.5 HD13 HG22 ' A' ' 35' ' ' VAL . 60.2 tp -81.69 -94.05 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.511 ' HB3' ' HE1' ' A' ' 9' ' ' PHE . . . -78.44 79.14 4.89 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 178.054 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.4 m -41.65 -25.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 115.392 1.627 . . . . 0.0 115.392 -176.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 16.6 pt -51.98 -31.62 14.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-O 121.167 0.508 . . . . 0.0 110.944 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.511 ' HE1' ' HB3' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -152.18 6.29 0.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.521 179.01 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.565 ' ND2' ' HA ' ' A' ' 4' ' ' ASP . 4.1 m120 52.18 43.55 30.5 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.551 -179.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.612 ' C ' ' H ' ' A' ' 13' ' ' HIS . 4.2 p 50.11 20.77 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.605 1.162 . . . . 0.0 111.071 -178.264 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 68.4 -25.36 0.13 Allowed 'General case' 0 CA--C 1.526 0.029 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.506 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.805 ' HB3' ' HB2' ' A' ' 3' ' ' CYS . 56.8 p-80 42.03 39.15 1.24 Allowed 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 122.421 1.105 . . . . 0.0 110.503 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -157.58 -42.3 0.07 Allowed 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 113.203 -1.817 . . . . 0.0 107.873 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.2 tp -64.75 -41.12 96.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.217 -0.901 . . . . 0.0 108.866 178.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 9.2 t -57.78 -54.99 40.63 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.717 -1.129 . . . . 0.0 110.355 179.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.404 ' O ' HG12 ' A' ' 21' ' ' ILE . . . -67.33 -34.76 78.01 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.28 -46.11 54.9 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -57.1 -49.17 76.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.49 0.662 . . . . 0.0 109.986 179.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 1.057 ' HB2' ' HA2' ' A' ' 27' ' ' GLY . 0.2 OUTLIER -64.88 -47.56 77.39 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.055 -179.37 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 17' ' ' ALA . 33.7 mm -57.35 -36.13 51.59 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.336 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.36 -35.62 70.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.284 0.564 . . . . 0.0 110.666 179.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -109.7 40.43 1.89 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.666 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.3 mmt-85 74.63 -121.32 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.487 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 54.05 -148.0 0.48 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.338 0.59 . . . . 0.0 111.55 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.715 ' HB3' ' HE ' ' A' ' 39' ' ' ARG . 11.5 tpp85 -142.01 26.17 1.88 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.096 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 1.057 ' HA2' ' HB2' ' A' ' 20' ' ' CYS . . . 67.64 -138.5 33.78 Favored Glycine 0 N--CA 1.443 -0.883 0 CA-C-N 114.536 -1.211 . . . . 0.0 113.568 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.79 145.6 17.6 Favored Glycine 0 N--CA 1.434 -1.467 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 37.5 p90 -120.02 142.77 48.52 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 -179.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.412 ' HB3' ' HA ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -72.35 118.71 15.57 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.894 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 53.6 p30 -75.25 -159.85 0.11 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.973 0.416 . . . . 0.0 111.613 -178.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.9 m -64.04 -34.82 78.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.908 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -88.35 15.97 7.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.116 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 63.31 15.45 8.67 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.962 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.5 HG22 HD13 ' A' ' 5' ' ' LEU . 47.3 t -84.69 128.42 38.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 179.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.9 t -75.15 108.76 8.11 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.014 0.435 . . . . 0.0 110.02 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 31.4 t -93.39 100.09 10.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.078 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.42 ' SG ' ' HB3' ' A' ' 40' ' ' ASN . 25.6 t -74.54 131.95 41.42 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.116 0.484 . . . . 0.0 109.781 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.715 ' HE ' ' HB3' ' A' ' 26' ' ' ARG . 0.3 OUTLIER -84.87 15.23 4.09 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -178.397 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.42 ' HB3' ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--N 1.305 -1.333 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.362 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.628 ' HB3' ' SG ' ' A' ' 3' ' ' CYS . . . . . . . . 0 N--CA 1.479 1.02 0 CA-C-O 120.938 0.399 . . . . 0.0 110.748 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.7 m -76.96 29.36 0.13 Allowed 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 121.769 0.795 . . . . 0.0 112.177 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.773 ' HA ' ' HB1' ' A' ' 34' ' ' ALA . 20.5 m -50.75 149.9 3.14 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 114.828 -1.078 . . . . 0.0 112.61 -179.418 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.405 ' OD1' ' HA ' ' A' ' 35' ' ' VAL . 13.8 m-20 57.31 41.17 27.01 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 114.463 -1.244 . . . . 0.0 111.923 179.336 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 23.8 tp 52.49 58.81 5.01 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.25 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.833 ' HB1' ' HA ' ' A' ' 10' ' ' ASN . . . -72.86 68.18 0.87 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.939 -178.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.9 p -73.48 -109.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.35 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.0 pt -67.68 -44.81 85.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.329 0.585 . . . . 0.0 110.09 179.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -90.1 53.04 2.4 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.774 178.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.833 ' HA ' ' HB1' ' A' ' 6' ' ' ALA . 20.9 t-20 -47.54 -34.09 7.22 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.099 -0.955 . . . . 0.0 112.191 -179.018 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.6 p -58.62 -14.98 4.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 113.178 0.806 . . . . 0.0 113.178 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.504 HD21 ' HA ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -70.06 50.12 0.11 Allowed 'General case' 0 N--CA 1.477 0.888 0 CA-C-O 121.618 0.723 . . . . 0.0 112.942 -179.39 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 27.3 p-80 -155.47 -33.73 0.09 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.088 178.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.34 -33.16 67.11 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.754 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 mp -58.78 -51.82 68.36 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.121 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 11.8 p -63.98 -51.47 64.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.67 0.271 . . . . 0.0 110.761 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.89 -47.43 82.82 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.51 -45.5 73.32 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.689 0.28 . . . . 0.0 111.337 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -57.92 -49.27 77.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.429 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.67 ' HB2' ' HA2' ' A' ' 27' ' ' GLY . 90.6 m -69.26 -48.07 62.82 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.991 -179.073 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.62 HG13 ' HA3' ' A' ' 27' ' ' GLY . 79.4 mt -52.52 -44.01 43.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 C-N-CA 122.557 0.343 . . . . 0.0 111.568 179.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.9 -43.14 72.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.053 -0.522 . . . . 0.0 112.053 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -81.88 47.42 1.1 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.468 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.5 ptt85 49.92 49.36 20.39 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.404 1.082 . . . . 0.0 113.041 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.483 ' HB3' ' HB2' ' A' ' 39' ' ' ARG . 60.8 m-85 -130.38 173.81 10.47 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.901 0.381 . . . . 0.0 110.336 178.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 55.9 mtp85 -81.81 -6.24 58.9 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.563 0.697 . . . . 0.0 109.22 178.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.733 ' O ' ' HA ' ' A' ' 38' ' ' CYS . . . 83.72 -57.69 5.04 Favored Glycine 0 C--O 1.216 -0.985 0 CA-C-N 114.753 -1.112 . . . . 0.0 112.734 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 166.7 139.73 2.73 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 119.604 -1.284 . . . . 0.0 112.878 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -103.19 137.73 40.94 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 178.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 33.2 m -93.35 113.17 25.28 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.9 p-10 -75.89 -155.93 0.06 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.267 -178.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.6 t -61.55 -47.84 83.7 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.193 0.521 . . . . 0.0 110.185 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.567 ' HB3' HG23 ' A' ' 35' ' ' VAL . 26.5 tptp -73.94 -2.5 24.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.134 179.273 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.773 ' HB1' ' HA ' ' A' ' 3' ' ' CYS . . . 62.8 30.16 16.69 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.039 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.567 HG23 ' HB3' ' A' ' 33' ' ' LYS . 73.5 t -70.63 137.98 22.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.042 179.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.6 t -74.9 79.24 2.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.171 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.0 t -75.5 68.89 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-O 121.605 0.717 . . . . 0.0 109.321 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.733 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 0.1 OUTLIER -52.08 130.99 31.46 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.336 -1.302 . . . . 0.0 113.191 -177.582 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.483 ' HB2' ' HB3' ' A' ' 25' ' ' TYR . 7.8 mmm180 -89.9 118.95 29.86 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 177.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.455 ' HA ' ' CE2' ' A' ' 25' ' ' TYR . 12.3 p-10 . . . . . 0 C--N 1.307 -1.243 0 CA-C-O 118.387 -0.816 . . . . 0.0 110.509 -178.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.964 0 CA-C-O 120.758 0.313 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.1 p -71.8 139.43 48.97 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.706 ' HB2' ' HB3' ' A' ' 13' ' ' HIS . 93.4 m -72.22 53.92 0.29 Allowed 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 121.047 0.451 . . . . 0.0 111.231 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.682 ' HA ' ' HB2' ' A' ' 10' ' ' ASN . 11.3 t70 -86.08 133.7 33.87 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.025 0.44 . . . . 0.0 111.436 -179.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.569 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 0.7 OUTLIER -167.62 -51.94 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 179.149 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.41 77.09 9.24 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.266 -1.334 . . . . 0.0 109.36 178.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.412 ' O ' ' HB ' ' A' ' 8' ' ' ILE . 45.2 m -27.27 129.02 0.05 Allowed 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 114.263 1.208 . . . . 0.0 114.263 -178.026 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.412 ' HB ' ' O ' ' A' ' 7' ' ' SER . 4.1 mp 76.31 -65.7 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-N 114.294 -1.321 . . . . 0.0 111.306 -179.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -92.1 41.29 1.07 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.573 0.701 . . . . 0.0 109.7 178.191 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.682 ' HB2' ' HA ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -62.97 156.0 25.8 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.541 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.645 HG11 ' HB2' ' A' ' 36' ' ' CYS . 44.0 t -49.64 113.52 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 O-C-N 123.769 0.668 . . . . 0.0 110.262 -179.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.632 HD22 ' N ' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -53.42 -13.96 0.69 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.234 -1.348 . . . . 0.0 112.329 -179.469 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.706 ' HB3' ' HB2' ' A' ' 3' ' ' CYS . 52.4 p-80 37.24 37.87 0.1 Allowed 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.478 1.111 . . . . 0.0 113.843 176.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -156.0 -41.58 0.08 Allowed 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.507 ' HB3' ' OD1' ' A' ' 12' ' ' ASN . 8.8 tt -70.65 -40.44 73.03 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 178.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.2 p -59.39 -50.82 72.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.028 178.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.482 ' HB2' ' H ' ' A' ' 28' ' ' GLY . . . -63.49 -35.01 79.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.267 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.17 -44.16 61.45 Favored 'General case' 0 N--CA 1.464 0.27 0 O-C-N 123.259 0.35 . . . . 0.0 111.701 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.2 t-80 -57.47 -44.44 84.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.447 0.642 . . . . 0.0 110.134 179.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.771 ' HB2' ' HA2' ' A' ' 27' ' ' GLY . 72.5 m -70.42 -49.83 44.82 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.79 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.577 ' HA ' ' O ' ' A' ' 25' ' ' TYR . 88.6 mt -52.24 -41.21 33.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 C-N-CA 122.596 0.358 . . . . 0.0 110.914 179.119 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.72 -41.69 82.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.191 0.519 . . . . 0.0 110.643 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 71.4 mtp180 -86.43 22.14 1.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.702 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 62.1 mmt-85 68.5 47.02 0.95 Allowed 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.041 0.536 . . . . 0.0 112.406 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.577 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 85.9 m-85 -124.54 159.65 30.14 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.97 178.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.457 ' HB3' ' HD2' ' A' ' 39' ' ' ARG . 19.0 tpp180 -67.98 -31.8 71.76 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.771 ' HA2' ' HB2' ' A' ' 20' ' ' CYS . . . 104.23 -143.3 15.67 Favored Glycine 0 N--CA 1.439 -1.102 0 CA-C-N 115.112 -0.949 . . . . 0.0 113.159 178.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.617 ' HA2' ' O ' ' A' ' 37' ' ' VAL . . . -106.63 161.58 13.96 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.725 -0.75 . . . . 0.0 114.678 -178.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 42.4 p90 -141.51 139.44 33.27 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.267 -0.967 . . . . 0.0 108.414 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.8 m -71.57 121.06 18.07 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.61 0.243 . . . . 0.0 110.856 -178.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.479 HD21 ' HB ' ' A' ' 35' ' ' VAL . 37.4 p30 -88.05 -155.17 0.3 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.126 179.115 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.2 t -66.49 -39.15 88.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.839 0.352 . . . . 0.0 110.777 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.424 ' HD2' ' N ' ' A' ' 33' ' ' LYS . 10.5 mptt -85.45 11.49 10.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.606 0.241 . . . . 0.0 110.464 179.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.569 ' HB3' ' HB2' ' A' ' 5' ' ' LEU . . . 61.65 25.84 15.65 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.033 -179.193 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.479 ' HB ' HD21 ' A' ' 31' ' ' ASN . 97.5 t -84.08 135.35 24.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.966 179.238 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.645 ' HB2' HG11 ' A' ' 11' ' ' VAL . 52.8 t -77.05 83.13 3.56 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.698 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.617 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 41.4 t -71.33 100.39 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 179.371 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.472 ' SG ' ' HA ' ' A' ' 17' ' ' ALA . 1.3 t -86.74 125.9 34.21 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.901 -177.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.457 ' HD2' ' HB3' ' A' ' 26' ' ' ARG . 61.4 mtt-85 -73.19 121.48 20.36 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 178.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 . . . . . 0 C--N 1.307 -1.241 0 CA-C-O 117.754 -1.117 . . . . 0.0 109.464 -178.929 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.97 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.577 ' HB ' ' HB2' ' A' ' 10' ' ' ASN . 18.8 p -63.02 -48.09 80.25 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.904 -179.399 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.628 ' HB3' ' HB3' ' A' ' 6' ' ' ALA . 19.8 t -173.36 42.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 29.7 t70 72.09 -47.48 0.66 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.921 0.888 . . . . 0.0 110.882 -179.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 50.8 tp -167.72 88.29 0.27 Allowed 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.945 -1.025 . . . . 0.0 108.917 178.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.628 ' HB3' ' HB3' ' A' ' 3' ' ' CYS . . . -162.97 88.39 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.942 -178.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.3 m -89.47 -51.75 5.38 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 111.735 0.272 . . . . 0.0 111.735 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.44 HG13 ' CD2' ' A' ' 9' ' ' PHE . 30.8 pt -76.59 5.28 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 112.697 0.628 . . . . 0.0 112.697 -179.056 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.575 ' HD1' ' HB1' ' A' ' 6' ' ' ALA . 0.1 OUTLIER -163.66 56.34 0.17 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.103 0.478 . . . . 0.0 110.926 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.577 ' HB2' ' HB ' ' A' ' 2' ' ' THR . 14.2 p-10 -81.35 6.11 15.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.732 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.2 t -59.66 -42.96 90.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-O 121.375 0.607 . . . . 0.0 110.536 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.455 ' O ' ' HB3' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -57.99 131.98 52.06 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.653 178.635 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.508 ' HA ' ' SG ' ' A' ' 16' ' ' CYS . 1.9 p-80 108.26 -26.04 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.782 1.633 . . . . 0.0 109.193 -177.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.0 -46.35 9.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.314 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.1 tt -61.96 -50.74 70.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.38 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.508 ' SG ' ' HA ' ' A' ' 13' ' ' HIS . 5.0 p -63.39 -38.79 92.52 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.989 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.52 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . . . -54.27 -35.45 62.56 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.339 -179.635 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.09 -44.25 61.22 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 123.216 0.322 . . . . 0.0 111.512 -179.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 65.8 t-80 -66.06 -41.9 90.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.649 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.681 ' HB2' ' HA2' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -69.85 -43.59 71.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.524 179.831 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.8 mm -58.44 -41.28 81.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 C-N-CA 122.823 0.449 . . . . 0.0 110.21 178.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.79 -33.05 72.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.941 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.5 mmt-85 -84.41 21.04 1.52 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.997 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 64.95 41.99 4.49 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 123.316 0.647 . . . . 0.0 112.328 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -119.8 -166.61 1.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.796 0.332 . . . . 0.0 110.77 178.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 91.7 mtm180 -104.73 28.81 6.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.377 0.608 . . . . 0.0 110.95 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.681 ' HA2' ' HB2' ' A' ' 20' ' ' CYS . . . 69.01 -140.89 35.06 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.37 -0.832 . . . . 0.0 113.856 179.043 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.88 138.55 10.01 Favored Glycine 0 N--CA 1.441 -1.008 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.03 -178.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 50.4 p90 -118.81 144.13 46.51 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.544 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 56.9 m -76.92 119.96 21.39 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.728 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.823 HD21 HG12 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -75.05 -176.96 3.17 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 178.391 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.9 t -56.84 -29.91 63.29 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.499 0.19 . . . . 0.0 111.235 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.2 mppt? -76.84 16.9 0.47 Allowed 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 50.95 47.17 25.27 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.284 0.633 . . . . 0.0 112.699 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.823 HG12 HD21 ' A' ' 31' ' ' ASN . 4.7 p -139.19 143.23 31.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.946 -0.391 . . . . 0.0 109.946 179.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.8 t -67.03 132.7 48.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.094 -0.503 . . . . 0.0 112.132 -178.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 62.0 t -113.0 84.76 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.532 178.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 13.0 t -65.2 126.58 28.59 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.87 -0.29 50.65 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.497 -178.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.647 ' HB3' ' HA ' ' A' ' 20' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.246 0.886 0 CA-C-O 118.31 -0.852 . . . . 0.0 112.482 -178.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 1.011 ' HB1' ' HA ' ' A' ' 36' ' ' CYS . . . . . . . . 0 N--CA 1.48 1.04 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.744 ' HB ' ' HB3' ' A' ' 13' ' ' HIS . 1.9 m 51.56 22.62 1.6 Allowed 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.552 0.691 . . . . 0.0 111.953 178.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.0 p -76.98 41.49 0.28 Allowed 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.856 -177.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.572 ' HB2' ' CB ' ' A' ' 34' ' ' ALA . 73.9 m-20 -128.72 -70.57 0.67 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.287 0.565 . . . . 0.0 109.853 179.071 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.9 tt -170.84 139.47 1.48 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.42 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.926 ' HB3' ' HA ' ' A' ' 10' ' ' ASN . . . -147.19 30.59 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.109 0.48 . . . . 0.0 110.64 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.6 t 52.01 -137.61 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.333 179.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 36.7 pt -65.85 -31.46 53.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -179.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -91.57 33.79 1.0 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.788 0.328 . . . . 0.0 111.45 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.926 ' HA ' ' HB3' ' A' ' 6' ' ' ALA . 12.2 t-20 -56.63 -32.8 65.67 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.222 0.534 . . . . 0.0 110.611 179.115 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.2 m -55.62 -11.51 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.612 HD21 HG21 ' A' ' 2' ' ' THR . 0.0 OUTLIER -76.81 42.07 0.29 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -179.274 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.744 ' HB3' ' HB ' ' A' ' 2' ' ' THR . 4.9 p-80 -150.41 -40.59 0.13 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.716 177.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.36 -50.79 58.31 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 178.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -72.31 -38.61 68.66 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.861 178.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.447 ' HB3' ' HA ' ' A' ' 13' ' ' HIS . 52.4 t -56.67 -58.45 8.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.221 -0.899 . . . . 0.0 111.06 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.404 ' O ' HG13 ' A' ' 21' ' ' ILE . . . -61.96 -41.2 97.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.497 0.189 . . . . 0.0 111.394 179.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.89 -42.27 79.56 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.985 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -38.73 92.34 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.107 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.763 ' HB2' ' HA2' ' A' ' 27' ' ' GLY . 13.9 m -65.35 -52.26 55.01 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 178.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.675 ' HA ' ' O ' ' A' ' 25' ' ' TYR . 73.2 mt -54.76 -35.89 34.82 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.064 178.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.3 -37.35 74.87 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 121.134 0.493 . . . . 0.0 110.827 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -85.49 25.62 1.02 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.473 178.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 65.21 23.24 12.24 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.43 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.675 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 23.0 m-85 -97.24 165.06 12.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.988 0.423 . . . . 0.0 110.618 178.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 57.3 mtp85 -69.78 -44.37 70.23 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.841 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.763 ' HA2' ' HB2' ' A' ' 20' ' ' CYS . . . 131.31 -123.69 3.85 Favored Glycine 0 N--CA 1.436 -1.349 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.628 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -157.14 130.35 2.62 Favored Glycine 0 N--CA 1.433 -1.511 0 N-CA-C 111.086 -0.805 . . . . 0.0 111.086 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -92.83 145.79 24.13 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.45 121.82 22.06 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.283 -179.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.51 ' HB3' HG21 ' A' ' 37' ' ' VAL . 18.4 p-10 -85.79 -178.77 6.69 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 178.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.1 m -57.08 -33.66 67.5 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 111.979 0.362 . . . . 0.0 111.979 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -86.08 8.3 21.31 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.572 ' CB ' ' HB2' ' A' ' 4' ' ' ASP . . . 56.29 46.36 21.28 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 179.213 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.9 t -110.0 148.69 13.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 1.011 ' HA ' ' HB1' ' A' ' 1' ' ' ALA . 35.2 t -73.71 83.69 1.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.046 0.45 . . . . 0.0 110.38 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.547 HG12 HH21 ' A' ' 39' ' ' ARG . 8.6 t -78.66 57.51 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.479 0.657 . . . . 0.0 110.023 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.468 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 11.2 t -61.34 139.22 58.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.735 -179.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.547 HH21 HG12 ' A' ' 37' ' ' VAL . 2.7 mmp_? -63.73 -56.13 17.94 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 . . . . . 0 C--O 1.248 1.016 0 O-C-N 124.419 1.074 . . . . 0.0 113.355 176.774 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.0 m 60.25 21.14 10.56 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 121.731 0.776 . . . . 0.0 110.983 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.517 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 67.3 m -56.16 122.71 12.36 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.911 -1.041 . . . . 0.0 112.456 -178.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.2 t0 59.66 104.91 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.379 0.672 . . . . 0.0 111.659 179.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 pp -89.21 -173.74 4.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.172 0.51 . . . . 0.0 111.739 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.444 ' O ' ' HB2' ' A' ' 7' ' ' SER . . . -166.02 -82.28 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.903 179.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.444 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 22.7 t 170.65 -104.07 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.95 -1.023 . . . . 0.0 108.633 178.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 23.2 pt -67.78 -42.26 85.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.975 0.417 . . . . 0.0 110.626 179.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.409 ' CE1' ' HB1' ' A' ' 6' ' ' ALA . 0.3 OUTLIER -95.83 50.47 1.2 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.484 0.659 . . . . 0.0 110.334 178.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -68.74 -14.16 62.84 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.995 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.7 m -65.55 10.92 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -179.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -77.0 50.61 0.74 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.503 0.668 . . . . 0.0 111.34 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 35.4 p-80 -178.48 -30.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.631 178.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.36 -34.35 55.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.246 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.4 tt -64.57 -52.47 57.44 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.192 -179.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.4 p -56.69 -47.94 78.77 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.644 0.259 . . . . 0.0 110.644 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.462 ' O ' HG13 ' A' ' 21' ' ' ILE . . . -59.48 -42.75 92.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.126 179.291 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.99 -43.0 86.35 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.925 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 31.6 t-80 -58.32 -44.84 88.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.654 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.569 ' HB2' ' HA2' ' A' ' 27' ' ' GLY . 68.6 m -65.13 -48.2 74.45 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.448 179.443 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.679 ' HA ' ' O ' ' A' ' 25' ' ' TYR . 84.1 mt -51.75 -39.77 25.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-O 120.943 0.401 . . . . 0.0 110.807 178.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.97 -37.23 79.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.04 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.0 mmt-85 -86.64 23.5 1.65 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.337 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.7 mtm-85 66.85 27.09 9.17 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.095 0.558 . . . . 0.0 111.33 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.679 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 8.7 m-85 -103.12 159.28 15.66 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.694 178.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.3 tpt180 -68.12 -40.25 82.55 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.987 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.569 ' HA2' ' HB2' ' A' ' 20' ' ' CYS . . . 140.4 -132.24 5.39 Favored Glycine 0 N--CA 1.438 -1.168 0 C-N-CA 120.499 -0.858 . . . . 0.0 111.993 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.421 ' HA2' ' HA ' ' A' ' 38' ' ' CYS . . . -138.19 159.69 25.23 Favored Glycine 0 N--CA 1.439 -1.13 0 N-CA-C 111.714 -0.555 . . . . 0.0 111.714 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 35.2 p90 -136.92 143.9 43.17 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.517 ' HB3' ' HB3' ' A' ' 3' ' ' CYS . 0.8 OUTLIER -78.81 122.41 26.02 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.024 0.44 . . . . 0.0 110.692 -179.784 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.498 ' HB3' HG21 ' A' ' 37' ' ' VAL . 23.9 p-10 -80.06 -157.27 0.14 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.134 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.2 t -63.23 -35.71 81.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.898 0.38 . . . . 0.0 110.551 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -88.63 14.16 10.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.528 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.482 ' HA ' ' HB2' ' A' ' 30' ' ' CYS . . . 57.19 26.35 12.08 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.013 -0.539 . . . . 0.0 112.02 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.469 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 70.5 t -86.17 139.95 16.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.273 -0.421 . . . . 0.0 109.875 179.306 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.4 t -70.87 85.35 0.68 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.967 0.413 . . . . 0.0 110.13 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.498 HG21 ' HB3' ' A' ' 31' ' ' ASN . 28.0 t -77.97 77.74 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.177 0.513 . . . . 0.0 109.651 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.421 ' HA ' ' HA2' ' A' ' 28' ' ' GLY . 0.5 OUTLIER -73.61 133.1 43.42 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.482 -179.265 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.662 ' HB2' ' HD2' ' A' ' 25' ' ' TYR . 74.4 mtt-85 -60.55 -56.0 26.61 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 . . . . . 0 C--O 1.246 0.916 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 176.367 . . . . . . . . 0 0 . 1 stop_ save_